data_2noc_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 2noc _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 22' ' ' ALA . . . . . 0.569 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.698 0.285 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -143.89 156.45 44.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.203 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.725 HD12 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -73.33 124.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.071 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.404 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 10.3 tpt -104.98 147.68 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.178 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -56.92 133.26 54.53 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -53.65 -38.56 64.23 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.327 0.392 . . . . 0.0 111.639 -174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m -65.22 -52.38 55.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.323 . . . . 0.0 111.223 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.63 -39.41 88.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.135 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.404 ' HB2' ' HB3' ' A' ' 25' ' ' MET . 38.8 t80 -52.46 -48.45 65.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.374 0.607 . . . . 0.0 110.482 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -78.7 -31.33 46.51 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.885 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.17 -19.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.012 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.88 -21.87 63.72 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.154 0.502 . . . . 0.0 110.918 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.9 t -65.82 -24.1 66.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.191 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -119.94 32.09 6.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.438 0.637 . . . . 0.0 110.039 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.498 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.9 m-85 -135.08 161.51 35.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.463 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -121.0 152.66 38.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.945 -171.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -97.86 119.9 37.29 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.093 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 pt -101.14 -4.09 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.77 165.65 11.43 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.276 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -105.61 146.82 29.18 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.0 pt -112.63 164.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.549 ' HB3' HG22 ' A' ' 84' ' ' THR . 4.1 p -151.12 172.89 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 112.406 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 54' ' ' ALA . 47.9 p -123.58 135.28 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.354 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -128.25 149.62 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.111 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.37 -103.83 3.04 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.381 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.7 128.19 3.29 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.353 -0.923 . . . . 0.0 109.659 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.526 ' HB2' HD11 ' A' ' 81' ' ' ILE . 84.4 mmm -141.87 169.66 17.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -86.73 143.32 35.48 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.674 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 12.1 Cg_endo -56.81 -55.93 2.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.288 1.992 . . . . 0.0 112.75 -172.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.81 -32.4 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.74 0.305 . . . . 0.0 111.064 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 50' ' ' SER . 38.4 t70 -68.38 -39.7 81.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.022 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.588 ' HB2' HG22 ' A' ' 45' ' ' THR . . . -69.07 -37.74 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.682 176.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.674 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 38.0 mtt180 -57.26 -57.62 11.81 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.2 mt-10 -60.85 -35.89 77.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 -176.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.96 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 29.4 t70 -66.57 -42.81 86.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.165 177.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.49 HD13 HG23 ' A' ' 45' ' ' THR . 24.1 mt -65.53 -46.07 81.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.038 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.41 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.545 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.96 ' HE3' ' HA ' ' A' ' 57' ' ' ASP . 23.2 pttp -68.27 -37.49 80.75 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.947 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.8 ttpt -63.67 -44.53 93.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.853 0.461 . . . . 0.0 111.219 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.541 ' HB3' HG21 ' A' ' 87' ' ' ILE . . . -62.64 -45.24 93.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.81 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.226 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.64 -35.93 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.339 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -83.22 4.64 25.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.422 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 80.97 66.31 1.63 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.177 173.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.46 158.41 20.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 110.238 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -40.48 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.506 0.67 . . . . 0.0 109.67 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -126.47 137.76 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.322 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.725 HG23 HD12 ' A' ' 24' ' ' ILE . 27.5 m -127.21 144.17 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.76 127.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.633 0.254 . . . . 0.0 110.503 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.35 88.57 5.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -70.66 -39.16 73.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.466 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.1 m -153.85 -176.65 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.474 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . 96.34 4.96 59.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.943 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 29.66 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.14 0.495 . . . . 0.0 110.083 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.516 ' HB ' HG23 ' A' ' 81' ' ' ILE . 11.2 m -76.75 -81.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' H ' HG22 ' A' ' 81' ' ' ILE . 3.7 tm-20 -176.81 -93.3 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 49' ' ' MET . 2.7 t-20 -102.84 -48.7 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.908 -0.495 . . . . 0.0 111.068 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.78 44.04 0.36 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.295 0.569 . . . . 0.0 111.356 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.0 pt -85.42 117.87 31.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.868 0.842 . . . . 0.0 113.106 -175.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -116.43 59.79 0.74 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.474 ' HA3' ' CA ' ' A' ' 75' ' ' GLY . . . -95.45 174.59 32.31 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.281 -167.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.1 p -137.69 139.79 40.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.123 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.13 54.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.477 ' OD2' ' HE1' ' A' ' 88' ' ' TYR . 33.1 t70 -106.22 122.14 45.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 62' ' ' ALA . 26.0 pt -116.47 153.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.162 0.506 . . . . 0.0 111.936 -171.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' HE1' ' OD2' ' A' ' 86' ' ' ASP . 20.3 m-85 -133.72 149.64 51.49 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.563 0.696 . . . . 0.0 111.032 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 66' ' ' GLY . 54.2 tptt -113.56 141.49 47.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.253 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 3.9 ttmp? -67.36 139.63 57.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.677 0.275 . . . . 0.0 110.981 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 98.6 mttt -81.82 179.66 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.167 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.486 ' HB2' ' OE2' ' A' ' 93' ' ' GLU . 74.3 mt -90.65 -8.95 48.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.486 ' OE2' ' HB2' ' A' ' 92' ' ' LEU . 2.4 mp0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.808 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB1' HG12 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -128.8 152.44 48.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.608 HD13 HG21 ' A' ' 70' ' ' VAL . 25.7 mm -84.8 129.64 37.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mmt -109.32 152.08 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.15 0.5 . . . . 0.0 111.576 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -72.72 170.21 15.04 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.718 172.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -67.49 -41.36 84.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.534 0.207 . . . . 0.0 110.972 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 p -70.47 -45.31 65.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.978 0.418 . . . . 0.0 111.205 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.6 -42.9 99.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.521 ' HA ' HG21 ' A' ' 33' ' ' VAL . 76.4 t80 -60.92 -42.19 97.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 111.093 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -80.77 -38.99 27.6 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.122 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 30' ' ' PHE . 33.3 m -81.37 -25.05 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.472 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.79 -25.93 61.24 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.044 0.449 . . . . 0.0 111.032 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 t -61.4 -41.23 96.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.813 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' C ' ' HD1' ' A' ' 37' ' ' TYR . 16.9 mt-10 -97.38 24.73 6.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.359 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HD1' ' C ' ' A' ' 36' ' ' GLU . 3.5 m-30 -124.88 170.82 10.7 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -143.61 125.02 14.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.016 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -69.05 127.53 33.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.124 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.1 pt -115.33 4.76 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 112.001 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 164.77 12.18 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.812 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -105.25 153.54 21.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.107 0.479 . . . . 0.0 110.46 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 85' ' ' ALA . 15.9 pt -114.13 164.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 20.8 t -146.42 165.74 28.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 0.0 111.209 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 0.6 OUTLIER -136.36 149.06 48.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.737 -178.114 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t 179.99 155.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.708 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.511 ' O ' ' HD2' ' A' ' 80' ' ' LYS . . . 150.26 -109.62 0.44 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -167.4 31.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.457 0.646 . . . . 0.0 110.017 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.804 ' HE2' ' HA ' ' A' ' 49' ' ' MET . 10.9 mmt -91.24 168.14 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.072 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -66.36 143.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.557 ' HA ' HD12 ' A' ' 81' ' ' ILE . 35.6 Cg_endo -63.92 -28.87 67.03 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 121.898 1.732 . . . . 0.0 112.889 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -76.01 -42.58 47.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.158 173.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.12 -39.75 93.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.674 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -71.15 -31.28 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -67.26 -49.46 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HA ' HD11 ' A' ' 59' ' ' ILE . 11.6 pt-20 -65.59 -26.91 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.678 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.71 -44.08 87.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.36 -49.84 70.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.831 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.452 HD11 ' HA ' ' A' ' 56' ' ' GLU . 56.3 mt -56.89 -44.1 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.668 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -73.2 -33.78 65.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.659 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -72.08 -40.28 68.36 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.178 0.513 . . . . 0.0 112.167 -177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.537 ' HB2' HG22 ' A' ' 87' ' ' ILE . . . -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.11 172.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.53 -32.89 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.04 -42.91 99.38 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.746 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -79.19 -14.79 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 110.709 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 79.91 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.002 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.44 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -118.57 146.11 44.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.918 0.389 . . . . 0.0 110.19 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.47 -51.26 4.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.405 ' CG2' ' HE2' ' A' ' 37' ' ' TYR . 44.7 t -127.91 141.03 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.867 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.637 HG13 HG21 ' A' ' 87' ' ' ILE . 27.0 m -119.38 143.17 31.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.5 t -119.45 105.73 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.09 93.09 5.1 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -67.12 -33.16 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.2 p 60.67 161.59 0.05 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.797 1.239 . . . . 0.0 112.613 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.564 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . -88.19 -37.69 7.6 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.42 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 60.58 32.66 20.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 122.35 1.071 . . . . 0.0 108.783 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.754 ' HB ' ' HA ' ' A' ' 81' ' ' ILE . 3.2 m -89.26 -31.98 17.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.978 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 71.37 -54.02 0.67 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.43 0.692 . . . . 0.0 112.239 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -52.26 -72.35 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.511 0.724 . . . . 0.0 111.965 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 53.0 pttt -139.46 4.84 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.451 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.754 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 5.8 mt 62.38 155.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.835 -175.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 45' ' ' THR . 8.8 t-160 -158.6 27.2 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.615 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -103.09 -163.05 25.68 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.988 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 16.0 p -137.95 179.28 6.53 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.372 0.606 . . . . 0.0 112.095 -171.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -154.88 133.56 12.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.553 169.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -112.17 127.17 55.86 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.637 HG21 HG13 ' A' ' 70' ' ' VAL . 30.4 pt -115.95 153.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-O 121.3 0.571 . . . . 0.0 112.15 -170.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -131.48 145.73 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.865 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -108.99 165.54 11.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.0 142.5 38.23 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.43 177.43 1.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 0.0 110.953 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.426 HD13 ' HG3' ' A' ' 93' ' ' GLU . 4.2 pp -86.07 -24.28 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HG3' HD13 ' A' ' 92' ' ' LEU . 31.7 mt-10 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.601 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -146.58 179.62 7.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 70' ' ' VAL . 12.3 mm -85.34 146.35 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.073 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -128.6 164.01 23.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.597 0.237 . . . . 0.0 110.774 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.9 140.15 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.725 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 62.3 mttp -71.92 -25.77 62.03 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.2 m -65.36 -50.04 67.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.855 0.36 . . . . 0.0 110.355 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.95 -40.26 87.49 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HB3' ' HA ' ' A' ' 27' ' ' LYS . 62.5 t80 -54.33 -47.3 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.338 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.75 -33.3 75.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.996 0.427 . . . . 0.0 111.157 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -29.47 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.002 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.44 -19.28 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.829 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.43 -26.08 52.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.328 0.585 . . . . 0.0 110.344 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -59.62 -42.39 92.56 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.252 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.478 ' C ' ' HD2' ' A' ' 91' ' ' LYS . 5.2 mt-10 -120.47 37.82 4.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.983 0.897 . . . . 0.0 110.886 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.11 -176.46 3.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.15 173.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.3 m -136.51 135.36 38.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.116 0.484 . . . . 0.0 112.038 -174.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.2 122.22 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.393 172.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.507 HG13 HG13 ' A' ' 87' ' ' ILE . 15.7 pt -116.01 5.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 0.0 111.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.27 175.05 18.3 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.376 172.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 m -105.57 151.63 24.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.8 pt -124.5 164.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.533 ' HB3' HG23 ' A' ' 84' ' ' THR . 10.3 p -142.07 179.83 6.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.825 0.345 . . . . 0.0 111.508 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 54' ' ' ALA . 3.0 p -126.8 131.4 51.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.641 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -124.28 162.15 24.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.944 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.7 -25.29 21.97 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.375 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 29.3 mt-10 62.69 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.46 0.648 . . . . 0.0 111.618 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.6 mtm -119.19 -177.6 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.797 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 m -59.74 146.49 80.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -58.85 -40.92 67.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.606 2.204 . . . . 0.0 112.864 -172.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.626 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.2 tt -67.26 -41.71 85.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -42.38 98.94 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.05 0.452 . . . . 0.0 110.302 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.462 ' CB ' HD13 ' A' ' 81' ' ' ILE . . . -65.99 -34.85 79.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.848 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.626 HH21 ' HG ' ' A' ' 52' ' ' LEU . 23.5 mtm180 -60.15 -49.28 78.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.009 175.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 60.5 mt-10 -62.02 -34.07 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.715 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 25.1 t70 -65.74 -45.55 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.22 -51.12 67.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.852 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -49.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.186 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 29.8 mmmt -73.19 -32.16 64.65 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.715 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.8 ttpt -67.42 -43.38 81.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 109.997 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . . . -60.35 -50.68 72.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.168 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.03 -43.12 81.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.165 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.66 -27.74 69.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.649 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -94.33 5.31 52.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.128 0.49 . . . . 0.0 110.071 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 90.53 11.91 61.74 Favored Glycine 0 C--O 1.225 -0.464 0 CA-C-N 115.716 -0.675 . . . . 0.0 114.043 171.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -67.3 146.73 53.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.444 0.622 . . . . 0.0 111.927 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.455 ' OD1' ' HD2' ' A' ' 89' ' ' LYS . 2.1 m-20 -104.38 -43.92 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.2 t -119.87 137.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.072 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.635 HG12 HG21 ' A' ' 87' ' ' ILE . 35.2 m -116.46 144.52 23.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -134.79 125.03 45.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.744 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.69 94.68 9.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.058 0.456 . . . . 0.0 110.107 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 p -85.23 -30.55 23.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.231 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -84.75 -150.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.931 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.42 -151.78 8.46 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.7 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.597 ' HG3' HG21 ' A' ' 81' ' ' ILE . 34.7 tt0 -178.35 105.68 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 20.9 m -62.28 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.51 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 27.2 tt0 173.56 -83.93 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.107 0 O-C-N 123.289 0.368 . . . . 0.0 110.728 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -65.02 -32.94 74.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 45.8 pttt -138.13 139.16 39.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.597 HG21 ' HG3' ' A' ' 76' ' ' GLN . 28.6 pt -152.49 151.36 11.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -123.07 33.15 5.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.815 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.71 152.6 30.9 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.606 -173.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 44' ' ' SER . 73.1 p -123.09 135.43 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.52 133.21 56.05 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -101.08 127.82 47.44 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.635 HG21 HG12 ' A' ' 70' ' ' VAL . 22.6 pt -115.33 152.67 16.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.624 0.726 . . . . 0.0 112.366 -169.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -126.25 149.54 49.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.337 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HB2' HD12 ' A' ' 40' ' ' ILE . 38.2 tptt -115.97 140.64 49.05 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.983 -176.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' HE3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -71.71 134.11 46.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.409 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.49 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 76.8 mttt -79.56 172.94 13.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.613 0.72 . . . . 0.0 110.849 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.73 3.58 39.74 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.49 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 25.3 tt0 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.914 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.619 ' HB3' HG11 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.637 0.256 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -132.66 157.98 43.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.147 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.675 HD12 HG22 ' A' ' 70' ' ' VAL . 25.8 mm -85.24 144.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.1 mmm -128.35 155.53 44.52 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -71.78 154.46 41.29 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.543 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -51.83 -52.78 46.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.541 0.525 . . . . 0.0 112.162 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 55.4 m -63.98 -50.47 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 111.022 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -69.77 -35.42 74.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.557 ' HA ' HG23 ' A' ' 33' ' ' VAL . 74.4 t80 -63.5 -41.82 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.261 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.39 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 0.0 110.864 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.3 mptt -81.14 -39.47 25.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.557 HG23 ' HA ' ' A' ' 30' ' ' PHE . 32.2 m -84.55 -9.97 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.555 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.8 68.39 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.502 0.668 . . . . 0.0 109.852 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -76.85 -28.4 55.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.629 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -93.85 -1.73 54.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.209 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.98 -178.71 3.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m -143.99 125.66 15.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -79.3 128.6 33.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 0.0 111.042 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.08 -14.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.82 162.74 10.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.856 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.89 148.64 27.37 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.505 HD11 ' HB1' ' A' ' 62' ' ' ALA . 28.6 pt -116.54 164.34 12.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.537 ' HB3' HG21 ' A' ' 84' ' ' THR . 3.7 p -153.03 173.21 15.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.924 0.393 . . . . 0.0 111.453 -177.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.684 HG21 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -135.5 138.72 43.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.21 177.476 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.9 m -144.49 98.47 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.458 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.43 -137.38 3.26 Favored Glycine 0 N--CA 1.435 -1.411 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.893 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -156.05 95.97 1.67 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.677 0.751 . . . . 0.0 111.666 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 88.6 mmm -132.67 177.95 7.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.609 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 15.0 m -65.46 143.7 98.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.09 -47.36 20.57 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.478 2.119 . . . . 0.0 113.519 -174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tt -75.26 -37.59 60.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' ' 50' ' ' SER . 37.1 t70 -67.34 -39.66 85.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.982 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 49' ' ' MET . . . -71.45 -33.46 69.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.647 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 55' ' ' ARG . 37.3 mtm180 -65.92 -48.74 70.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -60.67 -35.12 75.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.624 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 29.8 t70 -63.31 -43.34 98.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.972 0.415 . . . . 0.0 109.96 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.684 HD23 HG21 ' A' ' 45' ' ' THR . 23.1 mt -64.43 -52.31 58.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.3 mt -60.78 -48.35 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.3 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -69.39 -33.88 73.69 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.762 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -69.8 -44.19 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.763 0.315 . . . . 0.0 110.866 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB2' HG22 ' A' ' 87' ' ' ILE . . . -60.82 -42.27 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 0.0 110.222 172.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -58.62 -42.34 87.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.057 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.06 -37.14 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.76 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -67.16 -25.67 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.3 56.27 0.46 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.676 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.88 143.63 34.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -97.29 -40.86 8.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.413 0.625 . . . . 0.0 109.688 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.77 137.24 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.39 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.675 HG22 HD12 ' A' ' 24' ' ' ILE . 19.2 m -127.63 144.46 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.309 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.9 t -131.56 124.05 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.236 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.34 105.37 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.691 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -0.7 55.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.255 0.55 . . . . 0.0 111.07 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -61.39 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.637 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.02 76.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.158 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -127.16 -87.85 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.883 0.373 . . . . 0.0 110.736 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t 177.28 122.96 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -24.25 -63.53 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -56.05 -34.48 65.94 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -168.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -134.01 45.38 2.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.8 pt -49.14 117.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.821 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.597 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.0 t-160 -125.78 61.86 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.377 -1.283 . . . . 0.0 107.643 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.9 169.68 21.21 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.537 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.537 HG21 ' HB3' ' A' ' 44' ' ' SER . 17.3 p -125.28 163.61 22.14 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.544 0.338 . . . . 0.0 110.207 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -143.45 132.67 23.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 171.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.07 119.9 40.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.182 0.515 . . . . 0.0 109.954 -173.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.654 HG21 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -116.88 153.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.145 -171.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.94 148.87 48.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.762 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -107.19 153.02 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.674 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -73.63 145.96 44.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -83.65 -168.15 2.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.309 0.576 . . . . 0.0 110.85 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 pp -110.42 6.8 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.724 179.476 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -112.06 164.05 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.529 . . . . 0.0 111.51 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mm -95.64 139.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.665 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mmt -135.27 156.45 48.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 111.067 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.77 -174.76 4.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.867 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' ' HD3' ' A' ' 27' ' ' LYS . 9.1 tmtt? -82.44 -34.24 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.4 p -66.15 -49.72 66.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.964 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.88 -38.84 89.81 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.036 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.483 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 t80 -56.49 -46.94 80.21 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.874 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.24 -32.23 72.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.306 0.575 . . . . 0.0 110.737 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -83.77 -30.12 26.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.811 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.2 m -88.14 -24.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.553 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.607 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.78 -22.04 63.69 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 0.0 110.982 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -56.28 -32.0 64.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.641 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.34 18.96 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.607 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.7 m-85 -127.39 168.59 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.407 ' OG1' ' HG2' ' A' ' 91' ' ' LYS . 92.0 m -145.82 131.07 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.051 -177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -75.93 112.09 11.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -91.31 -16.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.687 0.279 . . . . 0.0 111.511 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.11 -179.18 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -106.95 153.73 22.12 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.422 HG13 HD21 ' A' ' 58' ' ' LEU . 28.1 pt -129.14 163.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 t -152.26 175.09 13.0 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.683 HG21 ' HB2' ' A' ' 54' ' ' ALA . 6.3 p -102.27 140.2 36.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.5 m -122.43 108.04 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.262 0.553 . . . . 0.0 110.581 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.56 -111.78 0.79 Allowed Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 179.99 101.77 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.811 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.5 mmt -132.52 164.25 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.762 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.62 154.33 93.47 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.469 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.638 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.9 Cg_endo -47.39 -55.41 3.97 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.595 2.864 . . . . 0.0 114.022 -172.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.491 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 mp -68.03 -32.18 72.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.617 0.246 . . . . 0.0 111.248 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.25 -39.19 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.108 0.48 . . . . 0.0 109.941 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB2' HG21 ' A' ' 45' ' ' THR . . . -65.13 -32.21 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.19 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 98.0 mtt180 -61.82 -47.51 84.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.692 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 40.8 mm-40 -57.13 -40.39 77.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.051 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.595 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.3 t70 -62.79 -43.69 98.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.474 0.654 . . . . 0.0 109.728 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.422 HD21 HG13 ' A' ' 43' ' ' ILE . 91.6 mt -64.22 -49.93 70.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.53 -46.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.252 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -72.99 -34.88 66.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.427 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.1 ttpt -67.39 -41.61 84.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.683 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.9 86.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.404 173.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.44 -42.69 96.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.704 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.42 -38.09 79.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -79.56 -23.36 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.25 44.21 3.06 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.772 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.97 33.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.601 ' HB3' ' HH ' ' A' ' 37' ' ' TYR . 3.3 m-20 -84.1 -44.05 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.494 0.664 . . . . 0.0 110.189 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.25 140.07 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.997 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.607 HG12 HG21 ' A' ' 87' ' ' ILE . 33.3 m -123.24 143.15 37.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.0 t -122.16 109.26 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -77.33 84.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.193 0.521 . . . . 0.0 110.536 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -75.38 -39.55 59.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.83 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.862 ' HA ' ' H ' ' A' ' 84' ' ' THR . 46.1 m 57.73 -164.64 0.17 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.505 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.43 -103.62 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.912 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -131.96 -3.31 3.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.8 t 178.52 127.09 0.06 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.534 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.43 2.55 0.4 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.625 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -48.57 -50.99 29.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.827 0.451 . . . . 0.0 111.229 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -106.09 11.72 31.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.409 ' CG2' ' H ' ' A' ' 82' ' ' HIS . 4.7 mt 61.78 -135.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.695 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.409 ' H ' ' CG2' ' A' ' 81' ' ' ILE . 36.4 t-80 66.67 91.4 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.922 0.889 . . . . 0.0 109.485 -171.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.67 134.96 12.52 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.656 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.862 ' H ' ' HA ' ' A' ' 74' ' ' SER . 1.6 m -128.91 154.81 46.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.98 133.56 17.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 111.576 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.16 120.48 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.607 HG21 HG12 ' A' ' 70' ' ' VAL . 28.6 pt -111.55 153.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.211 0.529 . . . . 0.0 111.945 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -137.51 141.89 41.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.265 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -110.73 162.33 14.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.458 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -77.02 144.6 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.407 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 34.0 mtpt -86.16 -172.14 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.686 0.755 . . . . 0.0 111.699 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' OE2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -95.34 -20.1 19.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.057 175.098 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.451 ' OE2' ' HG ' ' A' ' 92' ' ' LEU . 14.2 mp0 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.726 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.301 0.572 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -129.18 161.84 29.19 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 70' ' ' VAL . 39.6 mm -83.5 143.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.441 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.833 ' HE3' ' HB3' ' A' ' 29' ' ' ASP . 6.4 tpt -122.75 137.01 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.68 147.49 32.65 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 173.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.89 -45.62 74.7 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -66.77 -38.56 86.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.833 ' HB3' ' HE3' ' A' ' 25' ' ' MET . 2.6 m-20 -73.15 -41.03 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HA ' HG21 ' A' ' 33' ' ' VAL . 45.3 t80 -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.3 -32.75 71.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 0.0 111.133 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -83.36 -32.45 26.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.524 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.6 HG11 ' HE1' ' A' ' 25' ' ' MET . 32.7 m -85.14 -14.23 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.852 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.56 -27.13 64.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.275 0.56 . . . . 0.0 110.22 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -66.13 -37.66 86.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.429 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -102.25 18.66 20.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.33 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.597 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 15.2 m-85 -132.63 167.53 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 111.585 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.6 m -130.13 152.77 49.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.202 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -93.13 122.71 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.249 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.401 HD11 ' HB2' ' A' ' 89' ' ' LYS . 12.2 pt -111.22 -2.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.922 0.392 . . . . 0.0 110.806 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.1 170.04 13.04 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.731 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 86' ' ' ASP . 4.0 m -105.24 151.42 24.12 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.11 164.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.484 ' HB3' HG23 ' A' ' 84' ' ' THR . 3.2 p -158.3 175.75 13.34 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.981 0.42 . . . . 0.0 111.677 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -161.28 162.92 31.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.88 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 m -151.01 144.23 24.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.157 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.52 -122.34 1.09 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.528 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -155.97 40.34 0.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.694 0.759 . . . . 0.0 109.277 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 mmt -88.35 -168.92 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.943 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -99.38 149.21 35.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.4 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -53.6 -46.4 34.04 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.912 2.408 . . . . 0.0 113.343 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.486 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.6 mp -75.28 -34.14 61.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.914 0.388 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.98 -46.14 82.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.09 71.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.677 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 37.5 mtm180 -64.49 -48.04 76.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.097 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -62.21 -35.25 78.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.13 -45.61 84.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.84 -49.68 50.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.92 -41.45 90.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.266 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.0 mmtm -73.58 -29.59 62.51 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -75.13 -39.27 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.392 0.615 . . . . 0.0 111.464 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.55 -44.79 81.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.252 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.15 -34.88 79.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.273 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 22.7 mt-10 -64.74 -22.1 66.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.141 174.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -87.77 -12.52 44.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.55 9.36 58.94 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.727 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HB3' HD13 ' A' ' 87' ' ' ILE . . . -61.53 146.5 48.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.404 0.621 . . . . 0.0 111.951 -176.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.511 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 3.3 m-20 -99.32 -45.34 5.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.197 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -122.7 138.72 51.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.913 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 24' ' ' ILE . 34.9 m -122.14 143.03 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.826 0.346 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.38 104.99 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.4 96.17 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.441 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -72.91 -43.41 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' A' ' 84' ' ' THR . 86.7 p 54.24 -171.78 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.552 -1.204 . . . . 0.0 113.794 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.92 106.88 0.66 Allowed Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -79.79 88.32 5.24 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.114 0.959 . . . . 0.0 109.873 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.514 HG21 ' HG3' ' A' ' 80' ' ' LYS . 8.7 m -135.2 -95.5 0.26 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.811 -1.541 . . . . 0.0 110.623 168.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -179.65 -70.55 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.79 -51.01 3.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 111.109 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.514 ' HG3' HG21 ' A' ' 77' ' ' THR . 19.9 ptmt -77.83 45.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.493 0.664 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.97 125.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.691 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -96.66 95.55 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.34 142.28 38.81 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.509 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -146.55 141.63 27.18 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.17 14.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.765 0.317 . . . . 0.0 110.526 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HA ' HG22 ' A' ' 42' ' ' THR . 36.8 t70 -103.1 121.27 42.26 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.615 HG21 HG11 ' A' ' 70' ' ' VAL . 23.7 pt -114.95 153.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.52 0.676 . . . . 0.0 112.373 -167.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -130.75 152.62 49.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.738 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.511 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 46.5 tptt -119.49 142.17 48.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.473 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -65.85 141.16 58.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.629 0.252 . . . . 0.0 110.587 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.3 mttt -77.74 178.76 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.449 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.57 -4.76 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.166 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.288 177.213 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' A' ' 68' ' ' ASP . . . . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 121.171 0.51 . . . . 0.0 111.538 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -104.97 161.11 14.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 70' ' ' VAL . 26.3 mm -92.63 133.21 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 175.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.409 ' SD ' HG12 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -113.86 136.02 53.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -69.37 158.6 34.76 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.596 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -62.66 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -63.83 -38.07 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.41 . . . . 0.0 110.712 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.41 -32.82 54.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.743 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' HG23 ' A' ' 33' ' ' VAL . 84.9 t80 -59.87 -49.66 76.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.522 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.67 -31.08 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 0.0 110.588 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -80.45 -37.78 31.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.711 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 33.0 m -85.21 -11.8 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.334 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.21 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.571 0.7 . . . . 0.0 110.035 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.5 t -87.51 -12.27 46.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.53 0.39 8.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.673 -175.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.576 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 77.1 m-85 -130.68 162.08 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.4 m -131.92 129.95 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 111.745 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 39.4 ttmt -72.63 129.76 39.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.354 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 65' ' ' LYS . 21.4 pt -103.33 -4.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.0 110.886 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.41 174.88 15.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -105.4 151.46 24.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG13 HD21 ' A' ' 58' ' ' LEU . 17.5 pt -126.53 165.01 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.574 ' HB3' HG22 ' A' ' 84' ' ' THR . 2.7 p -156.79 171.41 20.44 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.0 111.927 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -155.31 150.76 27.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.044 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -175.0 144.72 0.77 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.983 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.82 -97.34 0.17 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.11 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.08 88.4 1.02 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.6 mtt -145.58 -173.23 4.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.588 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -94.52 153.43 40.32 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.86 -32.0 90.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.118 1.879 . . . . 0.0 111.906 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.0 mt -71.02 -41.45 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -62.97 -39.61 95.21 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 109.907 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB1' HD11 ' A' ' 81' ' ' ILE . . . -64.16 -42.47 96.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.546 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.2 -46.89 84.93 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.228 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.46 -36.65 78.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.608 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.721 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.6 t70 -62.38 -45.93 90.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.527 HD21 HG13 ' A' ' 43' ' ' ILE . 87.6 mt -62.91 -52.54 62.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.088 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.5 mt -62.12 -45.35 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.375 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.637 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 48.1 mtpt -73.4 -35.53 65.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.106 -177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.721 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.4 ttpt -66.39 -39.53 89.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.29 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.54 -35.35 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.688 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 16.7 mm-40 -56.3 -36.74 69.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.531 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HE3' HD13 ' A' ' 40' ' ' ILE . 32.5 ttpt -91.81 -26.21 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 110.25 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.35 60.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . . . -91.04 164.3 14.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.755 0.312 . . . . 0.0 110.293 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.433 ' HA ' ' H ' ' A' ' 22' ' ' ALA . 11.3 m-20 -115.79 -30.98 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.443 0.639 . . . . 0.0 110.026 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 92.5 t -125.12 137.92 56.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.961 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 24' ' ' ILE . 28.7 m -130.07 142.38 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.917 0.389 . . . . 0.0 110.157 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.52 106.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.83 88.4 1.33 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -44.68 96.96 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.151 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m 67.56 177.88 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.159 0.912 . . . . 0.0 111.829 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.23 152.27 24.35 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 64.91 3.13 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.893 0.854 . . . . 0.0 109.636 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 82' ' ' HIS . 2.7 m -129.47 -71.89 0.61 Allowed 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.455 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 70.24 -50.13 0.65 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.804 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -48.78 -70.28 0.09 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.856 0.462 . . . . 0.0 111.909 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 80' ' ' LYS . 15.6 ptpt -106.07 5.47 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 109.633 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.66 HD11 ' HB1' ' A' ' 54' ' ' ALA . 6.0 mt 63.66 148.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 113.871 -1.513 . . . . 0.0 112.826 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.623 ' HB2' ' OG1' ' A' ' 77' ' ' THR . 1.4 m-70 -156.46 28.92 0.34 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.816 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -76.0 139.55 24.45 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.294 -169.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 44' ' ' SER . 62.0 p -116.82 166.84 11.69 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.112 -0.544 . . . . 0.0 109.878 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HB3' HD13 ' A' ' 58' ' ' LEU . . . -150.71 133.85 16.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.19 123.27 46.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.599 HG22 HG13 ' A' ' 70' ' ' VAL . 24.3 pt -115.12 152.25 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 0.0 111.792 -173.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.536 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 45.8 m-85 -137.37 155.18 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.792 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 67' ' ' ALA . 20.2 mtpp -116.34 159.12 22.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 82.9 tttt -82.95 136.72 34.45 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.652 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -98.09 -164.03 1.1 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -117.13 18.22 14.62 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.769 -172.145 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.13 0.491 . . . . 0.0 112.276 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -139.52 154.38 47.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.659 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mm -92.23 125.48 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.71 0.291 . . . . 0.0 110.242 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.808 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 12.6 mmt -99.46 156.12 17.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.673 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -66.21 156.98 32.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -64.12 -33.3 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.045 0.45 . . . . 0.0 110.686 -176.348 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 p -75.67 -51.0 13.75 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.814 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.9 m-20 -56.96 -39.02 73.8 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.276 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.452 ' HA ' HG23 ' A' ' 33' ' ' VAL . 51.4 t80 -56.32 -44.8 80.3 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.269 0.355 . . . . 0.0 110.999 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.21 -31.54 72.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.751 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.01 -32.83 26.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.7 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 29' ' ' ASP . 34.7 m -85.71 -21.33 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.989 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.63 -24.77 58.24 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.22 0.533 . . . . 0.0 110.933 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -56.81 -41.67 78.19 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.631 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.14 26.71 5.64 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.888 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.443 ' HH ' ' CG2' ' A' ' 69' ' ' VAL . 5.1 m-30 -121.49 169.75 10.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -170.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -147.89 130.82 16.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.302 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.15 123.19 33.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.898 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 pt -95.8 -4.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.845 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.98 165.17 10.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.368 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -106.9 155.44 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.4 ' CG1' ' HB1' ' A' ' 85' ' ' ALA . 13.5 pt -125.99 163.29 27.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 2.2 p -161.24 168.65 23.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.417 ' OG1' ' HA3' ' A' ' 83' ' ' GLY . 9.1 p -145.9 142.79 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.945 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 m -153.73 128.41 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.222 -0.299 . . . . 0.0 110.67 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.2 -112.22 0.7 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.842 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.94 116.89 13.23 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.443 ' HB2' HD12 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -143.02 174.29 10.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.867 -176.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.654 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 15.5 m -99.17 143.98 27.4 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.33 -53.66 5.0 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.434 2.089 . . . . 0.0 113.416 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.547 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 7.8 mp -75.05 -31.73 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.547 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.654 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 7.8 m-20 -70.47 -34.73 72.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.65 75.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.061 0.457 . . . . 0.0 110.086 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.595 ' HD2' ' OE1' ' A' ' 76' ' ' GLN . 22.1 mtp180 -60.49 -42.48 96.41 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.87 -43.92 81.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.9 t70 -65.24 -41.55 94.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.423 0.63 . . . . 0.0 110.114 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.415 HD23 HG21 ' A' ' 45' ' ' THR . 73.8 mt -70.07 -51.16 34.1 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.288 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.51 -40.72 80.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.477 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.1 mmtm -70.18 -35.53 74.03 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.54 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.7 ttpt -71.74 -40.83 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.481 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.14 82.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.715 171.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -61.75 -43.05 99.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.394 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 25.6 mt-10 -61.81 -41.78 98.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.572 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -75.28 -25.92 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.061 0.458 . . . . 0.0 110.268 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.52 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.7 88.43 1.62 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.6 175.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . . . -128.49 149.37 50.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.42 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -93.17 -39.01 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 109.477 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' HH ' ' A' ' 37' ' ' TYR . 43.1 t -126.49 141.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.194 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.432 HG13 HG23 ' A' ' 87' ' ' ILE . 48.6 t -119.51 142.79 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.443 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.12 113.41 37.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.02 94.97 8.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.857 0.36 . . . . 0.0 110.635 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.45 1.53 55.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.367 0.603 . . . . 0.0 111.712 177.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -54.63 144.27 22.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.082 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.02 87.59 1.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.595 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 22.8 tt0 -83.06 79.11 9.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.835 0.826 . . . . 0.0 111.334 -170.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.556 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 11.8 m -68.03 -78.62 0.06 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.583 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.81 -83.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.869 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.31 -49.2 8.97 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.172 0.51 . . . . 0.0 109.721 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.556 ' O ' ' HB ' ' A' ' 77' ' ' THR . 55.9 pttt -94.39 131.29 40.21 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 49' ' ' MET . 12.7 pt -153.44 135.2 5.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.328 -173.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.11 86.43 4.59 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 166.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.417 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . -83.31 142.69 21.41 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.497 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 2.2 m -155.26 151.14 27.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.4 ' HB1' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 132.54 10.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.8 116.66 32.35 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.432 HG23 HG13 ' A' ' 70' ' ' VAL . 24.6 pt -105.34 152.65 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.24 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -136.71 160.74 37.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.619 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 66' ' ' GLY . 8.4 mmmm -128.62 158.79 37.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.424 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.1 150.87 44.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.907 0.384 . . . . 0.0 110.032 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -74.76 175.24 8.15 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.985 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -84.15 -22.79 30.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.667 0.746 . . . . 0.0 109.63 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.283 178.769 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.599 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.479 ' HB3' HG23 ' A' ' 69' ' ' VAL . 3.8 tp10 -93.2 153.77 18.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.338 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.46 154.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.53 ' HE2' HG23 ' A' ' 33' ' ' VAL . 22.1 mmt -130.54 144.36 51.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 112.598 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -82.09 152.32 26.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 163.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -57.71 -39.23 76.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.569 0.622 . . . . 0.0 111.27 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -60.16 -46.6 89.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -68.81 -39.87 79.84 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HA ' HG22 ' A' ' 33' ' ' VAL . 39.0 t80 -55.5 -46.52 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.025 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.09 -32.06 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 0.0 110.726 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.13 -42.38 47.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 25' ' ' MET . 24.3 m -80.58 -12.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.032 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -20.03 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 109.934 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 t -89.04 -16.4 31.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.502 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -113.31 7.4 17.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.518 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 10.7 m-85 -132.38 -179.7 5.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.39 -176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -142.6 128.96 20.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.746 0.307 . . . . 0.0 111.237 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -64.31 130.51 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.024 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.92 -6.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.693 0.282 . . . . 0.0 111.329 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.15 168.26 11.58 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -106.3 152.58 23.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.9 pt -125.6 163.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.445 ' HB3' HG23 ' A' ' 84' ' ' THR . 2.3 p -157.09 160.56 38.99 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.321 0.581 . . . . 0.0 111.581 177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.467 HG23 ' HG ' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -113.2 130.5 56.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.954 175.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 m -153.04 118.24 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.753 0.311 . . . . 0.0 110.308 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.81 -119.29 0.87 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -134.96 99.02 4.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.296 0.238 . . . . 0.0 110.602 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.477 ' HB2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmt -150.94 -178.47 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 144.36 27.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -55.85 -52.01 8.39 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.051 2.501 . . . . 0.0 113.432 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.78 -37.1 85.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.08 -34.58 73.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.26 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' HG22 ' A' ' 45' ' ' THR . . . -65.85 -38.62 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.323 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.25 -53.12 61.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.8 -43.19 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.898 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.0 t70 -68.48 -36.95 79.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.397 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' HG23 ' A' ' 45' ' ' THR . 23.6 mt -66.11 -50.79 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.3 mt -62.98 -36.76 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.1 ttmm -68.74 -49.41 59.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.533 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 7.3 ttpt -67.48 -36.41 81.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.164 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.77 -47.83 76.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 170.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.29 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.225 0.536 . . . . 0.0 109.918 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 56.6 mt-10 -68.49 -38.27 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.879 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -71.43 -25.42 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.89 32.65 2.01 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.03 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB1' HD12 ' A' ' 87' ' ' ILE . . . -93.11 149.27 21.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.722 0.296 . . . . 0.0 111.058 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.9 t70 -110.57 -33.74 6.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.571 . . . . 0.0 110.41 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 23' ' ' GLU . 9.6 t -126.62 141.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.266 175.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.605 HG12 HG23 ' A' ' 87' ' ' ILE . 34.6 m -122.43 142.54 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.974 0.416 . . . . 0.0 110.022 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.48 103.01 14.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.79 86.12 4.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.748 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -17.32 57.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 173.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -50.23 126.02 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.673 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.24 -85.47 0.23 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.121 -1.037 . . . . 0.0 111.158 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -159.91 -60.62 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.5 m 52.82 86.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.166 0.916 . . . . 0.0 111.594 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -90.99 -22.02 21.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.625 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -44.61 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.006 0.816 . . . . 0.0 111.408 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -143.96 14.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.686 0.755 . . . . 0.0 109.207 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 83' ' ' GLY . 6.8 mt 65.81 149.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 113.972 -1.467 . . . . 0.0 112.733 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -164.43 31.08 0.07 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.619 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -68.81 141.85 37.17 Favored Glycine 0 CA--C 1.503 -0.718 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.971 -174.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -118.4 148.65 42.32 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 120.785 0.326 . . . . 0.0 110.54 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.06 132.64 25.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.77 122.47 47.22 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.652 HD12 ' HB1' ' A' ' 67' ' ' ALA . 25.9 pt -115.82 153.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.693 0.758 . . . . 0.0 113.022 -168.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -131.5 153.3 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.457 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -109.24 148.32 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.51 ' HZ1' ' CG ' ' A' ' 68' ' ' ASP . 3.6 ptmt -72.94 156.32 38.97 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.985 0.422 . . . . 0.0 110.645 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -91.91 176.72 6.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.221 0.534 . . . . 0.0 110.439 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.402 ' H ' HD22 ' A' ' 92' ' ' LEU . 1.8 pt? -107.24 6.15 28.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.309 -175.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.606 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 111.783 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.97 152.71 33.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.828 HD11 HG22 ' A' ' 70' ' ' VAL . 29.6 mm -82.48 142.05 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.102 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 mmt -129.5 139.41 51.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.004 0.43 . . . . 0.0 111.618 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HE3' ' OD1' ' A' ' 29' ' ' ASP . 40.5 mtmt -59.89 156.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.117 171.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -71.88 -22.54 61.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.74 0.305 . . . . 0.0 111.792 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.3 p -69.33 -50.06 49.97 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.228 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.465 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.5 m-20 -72.21 -29.7 64.22 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.321 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HA ' HG23 ' A' ' 33' ' ' VAL . 60.4 t80 -56.6 -48.32 77.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.07 -33.58 75.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.164 0.507 . . . . 0.0 110.747 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.27 -37.94 43.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.656 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.647 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 22.5 m -82.95 -8.75 11.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.716 0.293 . . . . 0.0 110.718 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.72 -14.91 56.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.493 0.663 . . . . 0.0 109.977 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -93.32 -25.39 17.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.574 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -99.15 -7.99 25.8 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.249 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.647 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 86.7 m-85 -129.87 163.91 25.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 0.0 111.169 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -127.61 152.5 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -78.67 133.46 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.136 0.574 . . . . 0.0 110.452 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.787 HD11 ' HG2' ' A' ' 89' ' ' LYS . 22.7 pt -125.54 15.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.411 . . . . 0.0 111.474 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.86 167.79 19.08 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.702 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -106.4 158.25 17.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 pt -119.93 164.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -149.79 178.04 9.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.764 0.316 . . . . 0.0 110.476 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.676 HG21 ' HB1' ' A' ' 54' ' ' ALA . 1.6 p -127.8 131.28 49.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.4 m -154.87 131.96 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.07 -6.87 2.88 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.586 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.695 ' HG2' ' HB2' ' A' ' 80' ' ' LYS . 39.5 mt-10 61.45 93.13 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.465 0.65 . . . . 0.0 111.305 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 83.0 mtp -135.64 -167.44 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.907 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 m -82.04 144.02 50.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.57 -42.5 26.28 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.518 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 82.7 mt -69.47 -39.61 77.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 0.0 110.288 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.82 -38.87 92.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -63.93 -43.09 96.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.78 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -58.4 -51.62 69.04 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.356 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 41.4 mt-10 -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.046 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.64 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 26.4 t70 -67.69 -43.52 79.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.102 0.477 . . . . 0.0 110.092 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.408 HD11 HG22 ' A' ' 45' ' ' THR . 34.7 mt -64.28 -49.42 71.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.967 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.3 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.287 -175.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.65 -40.8 76.25 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.516 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.0 ttpt -68.08 -42.0 81.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.652 0.263 . . . . 0.0 111.392 -175.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 87' ' ' ILE . . . -59.76 -47.31 86.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.108 0.48 . . . . 0.0 110.563 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.94 -39.4 91.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.53 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.31 -26.12 59.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.253 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -73.04 -21.02 60.87 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.6 -1.86 15.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.597 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -56.29 148.36 18.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.901 0.35 . . . . 0.0 111.231 -176.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -98.35 -37.89 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.627 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -125.41 138.86 53.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.77 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.828 HG22 HD11 ' A' ' 24' ' ' ILE . 16.8 m -123.63 142.25 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.022 0.439 . . . . 0.0 110.301 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -124.69 109.79 23.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.936 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -81.46 77.19 8.35 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -62.21 -41.16 98.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.312 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m 60.43 -172.8 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.015 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.97 -153.06 5.83 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -146.16 50.28 1.17 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 122.069 0.937 . . . . 0.0 110.824 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m -132.19 78.85 1.83 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.066 174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.33 -16.81 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.076 -172.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -55.75 -63.95 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.345 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.695 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -105.61 -9.08 17.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.407 0.622 . . . . 0.0 110.603 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.5 mt 63.2 148.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.157 -171.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -166.2 29.05 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.41 141.42 27.72 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.876 -176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -112.56 156.89 21.88 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.44 132.49 35.5 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.63 125.58 52.02 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.79 HG22 HG12 ' A' ' 70' ' ' VAL . 18.4 pt -116.0 153.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.464 0.649 . . . . 0.0 112.722 -169.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 74.1 m-85 -131.9 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.999 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.787 ' HG2' HD11 ' A' ' 40' ' ' ILE . 21.0 mmmt -109.92 159.54 17.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.156 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -63.66 157.71 23.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.386 0.613 . . . . 0.0 110.535 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -95.55 173.47 7.48 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.728 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -93.43 -3.8 52.48 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.922 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.3 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.241 0.543 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HB3' ' HE2' ' A' ' 25' ' ' MET . 3.3 tp10 -119.37 144.32 46.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.192 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 70' ' ' VAL . 15.5 mm -83.6 129.26 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.602 ' HE2' ' HB3' ' A' ' 23' ' ' GLU . 21.2 mmt -114.17 157.93 22.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -79.71 151.48 30.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.98 -22.17 62.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 p -77.8 -53.67 7.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.5 -29.24 56.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.252 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.5 ' HA ' HG22 ' A' ' 33' ' ' VAL . 23.7 t80 -61.27 -43.07 99.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.68 -30.47 71.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -74.51 -45.37 46.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.9 m -74.44 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.767 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.59 43.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.983 0.42 . . . . 0.0 111.086 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -70.09 -31.11 68.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.785 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.46 13.21 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.505 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.493 ' CE2' HG21 ' A' ' 69' ' ' VAL . 9.0 m-85 -116.75 169.35 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.264 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 m -139.0 135.8 34.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.977 0.418 . . . . 0.0 110.907 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -76.11 122.18 23.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.163 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.424 HG21 ' HG3' ' A' ' 89' ' ' LYS . 13.2 pt -92.76 -17.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.402 175.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.75 14.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.006 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.14 152.43 22.81 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 85' ' ' ALA . 17.0 pt -117.24 163.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.528 ' HB2' HG22 ' A' ' 84' ' ' THR . 29.6 t -155.71 167.13 31.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.095 0.474 . . . . 0.0 110.534 -177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.495 HG22 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -108.06 160.35 15.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.463 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -150.37 120.98 7.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.22 7.6 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.641 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.46 115.13 2.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.11 169.2 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.645 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 21.4 m -69.01 141.5 92.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HA ' HD11 ' A' ' 81' ' ' ILE . 17.8 Cg_endo -60.27 -55.91 1.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.765 2.31 . . . . 0.0 113.709 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -72.53 -32.45 66.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.522 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 16.2 m-20 -71.2 -37.7 72.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.965 -178.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB1' HG22 ' A' ' 45' ' ' THR . . . -70.84 -32.91 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.255 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -66.76 -43.78 83.18 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 59' ' ' ILE . 1.3 tm-20 -56.42 -42.91 78.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.116 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.62 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 21.9 t70 -69.36 -33.32 72.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 0.0 110.57 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.408 HD12 HG23 ' A' ' 45' ' ' THR . 48.7 mt -66.0 -42.8 89.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.922 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 56' ' ' GLU . 29.4 mt -63.02 -41.97 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.685 178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.62 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 35.1 mtpt -55.51 -52.97 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.765 174.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -62.37 -38.28 88.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.583 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.24 87.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.694 174.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.92 -41.97 90.73 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.45 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.18 -35.78 78.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.936 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -75.98 -34.29 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.826 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.53 18.96 10.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.33 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HA ' ' CD ' ' A' ' 89' ' ' LYS . . . -65.49 145.32 56.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.47 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.3 t70 -96.61 -39.53 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.493 HG21 ' CE2' ' A' ' 37' ' ' TYR . 39.9 t -114.46 135.17 55.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.093 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.748 HG13 HG23 ' A' ' 87' ' ' ILE . 22.2 m -127.23 142.0 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.95 128.34 62.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.453 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.62 99.73 11.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.484 . . . . 0.0 110.199 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -89.14 -10.68 46.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.416 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 p -46.36 124.87 6.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.573 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.16 -20.44 77.39 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.279 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.99 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 p -93.98 -76.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -179.19 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.25 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -105.15 -47.77 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.518 0.675 . . . . 0.0 110.288 -175.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.01 44.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' A' ' 51' ' ' PRO . 18.8 pt -78.24 129.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.634 0.73 . . . . 0.0 112.749 -173.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -113.61 38.12 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 168.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.65 141.89 35.83 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.409 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 44' ' ' SER . 45.9 p -106.47 169.5 8.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.209 0.528 . . . . 0.0 111.091 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -141.45 133.4 27.54 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -110.26 120.67 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.017 0.437 . . . . 0.0 109.916 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.748 HG23 HG13 ' A' ' 70' ' ' VAL . 23.6 pt -116.27 153.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.312 0.577 . . . . 0.0 112.359 -170.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -134.3 150.79 51.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.752 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 21.2 mmmt -113.46 157.98 21.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.264 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HE3' ' OH ' ' A' ' 37' ' ' TYR . 35.6 mttt -74.83 145.91 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -91.12 -174.93 4.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.887 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 93' ' ' GLU . 4.0 pp -95.93 -24.02 16.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.177 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.463 ' N ' HD12 ' A' ' 92' ' ' LEU . 35.3 tt0 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.305 176.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -137.27 155.78 49.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.923 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.735 HD12 HG22 ' A' ' 70' ' ' VAL . 19.1 mm -84.43 133.71 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.0 mtp -120.61 -175.23 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.48 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 66.8 mttm -82.65 -163.79 0.76 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -103.61 -44.06 5.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.2 m -70.87 -47.89 56.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.423 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.3 p30 -69.52 -32.39 71.2 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.033 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.522 ' HA ' HG23 ' A' ' 33' ' ' VAL . 78.2 t80 -59.95 -40.67 89.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.034 0.445 . . . . 0.0 110.691 176.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.6 -33.75 76.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -83.17 -31.22 27.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.651 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.522 HG23 ' HA ' ' A' ' 30' ' ' PHE . 32.1 m -87.25 -12.28 10.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.902 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.1 -23.72 64.06 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.39 0.614 . . . . 0.0 110.211 174.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -62.01 -41.98 98.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.269 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -84.07 5.53 25.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.821 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.522 ' CE2' HG21 ' A' ' 69' ' ' VAL . 19.7 m-30 -127.5 178.83 5.83 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 111.482 -171.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -147.25 162.51 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -117.21 118.13 31.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.912 0.386 . . . . 0.0 110.903 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 pt -84.58 -25.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.375 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.02 176.15 26.06 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.658 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -105.94 150.99 25.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 pt -124.69 164.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.561 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -145.64 176.0 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 112.687 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 2.3 p -123.77 138.6 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.492 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -143.67 108.44 4.9 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.959 0.409 . . . . 0.0 111.3 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.29 -119.35 0.89 Allowed Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.039 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -168.56 86.96 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.319 0.581 . . . . 0.0 110.608 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -136.24 168.07 20.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.768 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.9 m -67.06 148.55 98.84 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.629 0.252 . . . . 0.0 110.841 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.714 ' HD3' ' HG3' ' A' ' 78' ' ' GLU . 12.0 Cg_endo -54.74 -45.25 42.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.55 2.833 . . . . 0.0 113.9 -171.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 5.7 mp -71.51 -34.46 70.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.11 -38.51 88.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.459 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -60.84 -42.1 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.447 175.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 36.3 mtm180 -57.65 -57.53 12.32 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.971 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 59' ' ' ILE . 31.9 mt-10 -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.638 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 17.1 t70 -62.81 -47.01 85.29 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.52 HD13 ' HB1' ' A' ' 85' ' ' ALA . 55.3 mt -62.39 -48.02 81.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.969 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.0 mt -59.81 -46.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.622 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -73.06 -30.89 64.04 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 120.757 0.313 . . . . 0.0 110.618 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -69.75 -43.07 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.33 86.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.15 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.75 -35.2 80.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.533 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.92 -41.81 82.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.417 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -73.65 -34.72 65.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.17 60.59 0.45 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.642 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB1' HD12 ' A' ' 87' ' ' ILE . . . -111.33 151.75 28.05 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.625 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 90.1 m-20 -104.74 -31.69 9.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.522 HG21 ' CE2' ' A' ' 37' ' ' TYR . 18.6 t -124.76 139.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.735 HG22 HD12 ' A' ' 24' ' ' ILE . 15.3 m -129.32 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.32 114.3 28.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.823 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.5 mt -84.03 84.74 7.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.398 0.618 . . . . 0.0 110.264 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.66 0.75 56.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.908 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 132.9 23.97 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.591 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.71 98.26 0.46 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 171.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.61 75.36 0.81 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 122.241 1.019 . . . . 0.0 111.021 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 m -79.99 -13.91 58.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.401 173.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.714 ' HG3' ' HD3' ' A' ' 51' ' ' PRO . 37.6 tt0 73.06 -70.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.665 0.786 . . . . 0.0 112.242 174.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -59.71 4.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 0.0 111.986 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -112.29 61.08 0.63 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.801 0.81 . . . . 0.0 110.312 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 54' ' ' ALA . 22.2 pt -49.25 122.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.309 -1.314 . . . . 0.0 112.866 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . 0.609 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.5 t-80 -148.79 48.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.07 166.17 15.43 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.623 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.561 HG22 ' HB3' ' A' ' 44' ' ' SER . 21.5 p -112.97 153.49 27.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -121.12 134.39 55.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.38 115.11 29.76 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.624 HG22 HG11 ' A' ' 70' ' ' VAL . 30.3 pt -116.54 152.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.906 -171.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CD1' ' HZ ' ' A' ' 30' ' ' PHE . 5.7 m-85 -135.41 152.22 51.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.016 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HZ1' ' CG ' ' A' ' 68' ' ' ASP . 54.9 tptt -119.7 137.76 53.71 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.547 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 17.2 pttm -69.56 165.03 21.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.637 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -85.1 178.83 7.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.913 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.4 mt -89.76 1.56 55.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.067 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.535 0.4 0 O-C-N 123.735 0.647 . . . . 0.0 111.363 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 24' ' ' ILE . 35.2 tt0 -153.95 163.8 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.583 172.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.641 HD11 HG22 ' A' ' 70' ' ' VAL . 19.4 mm -77.15 144.08 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.414 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 26.2 mmt -119.3 169.19 10.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -82.74 153.97 25.02 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -55.04 -54.41 43.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.2 m -69.06 -42.13 76.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.959 0.409 . . . . 0.0 111.134 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -72.33 -37.63 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.643 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HA ' HG23 ' A' ' 33' ' ' VAL . 45.7 t80 -62.55 -42.07 99.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 110.088 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.83 -30.65 71.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.847 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -87.2 -30.94 20.61 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.727 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.55 HG23 ' HA ' ' A' ' 30' ' ' PHE . 31.4 m -82.3 -21.23 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.578 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -61.95 -14.7 37.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 111.094 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -64.45 -34.19 77.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.394 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.497 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 18.3 mt-10 -105.24 23.9 12.93 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.114 0.483 . . . . 0.0 111.002 175.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.602 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 27.9 m-85 -131.54 165.03 24.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 m -140.17 169.06 18.39 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -112.43 135.57 52.97 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.995 -0.441 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 HD13 ' HG3' ' A' ' 65' ' ' LYS . 14.7 pt -107.21 -13.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.74 169.08 16.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.236 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 m -105.75 156.07 18.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 pt -132.66 166.0 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.653 0.263 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -150.43 161.4 42.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.448 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 3.1 m -77.68 144.55 37.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.096 0.474 . . . . 0.0 111.166 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 m -96.01 101.5 13.18 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.617 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.68 134.56 8.51 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.062 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -82.63 89.73 6.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.178 0.513 . . . . 0.0 109.769 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtm -117.8 -169.49 1.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.895 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 8.9 m -66.52 160.51 66.44 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.628 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.557 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 11.6 Cg_endo -54.29 -54.1 5.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.995 2.463 . . . . 0.0 112.918 -175.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.15 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.0 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.45 -48.51 64.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.14 92.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -65.42 -43.94 88.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.52 -33.49 71.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.638 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.7 t70 -70.63 -42.29 71.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.33 0.586 . . . . 0.0 109.999 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.57 -44.71 77.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.084 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.28 -47.93 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.164 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -66.56 -45.4 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.896 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -65.83 -41.02 92.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.386 -175.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.45 99.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.54 -33.99 75.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.18 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.34 -28.92 67.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.1 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG3' HD13 ' A' ' 40' ' ' ILE . 15.3 tppt? -79.96 -25.59 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.815 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.42 39.95 4.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.754 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' A' ' 87' ' ' ILE . . . -87.28 160.56 18.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.615 0.245 . . . . 0.0 110.537 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.523 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 9.4 m-20 -113.92 -24.38 9.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.098 0.475 . . . . 0.0 110.819 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.503 HG23 ' CE2' ' A' ' 37' ' ' TYR . 77.8 t -127.17 139.77 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.641 HG22 HD11 ' A' ' 24' ' ' ILE . 21.2 m -125.26 142.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.9 t -137.97 123.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.616 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.43 93.39 1.95 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -78.78 -26.47 44.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.776 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.562 ' HB2' ' HB ' ' A' ' 84' ' ' THR . 65.8 m -148.56 176.79 10.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.417 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 76' ' ' GLN . . . 156.34 -120.87 1.03 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -174.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 75' ' ' GLY . 26.5 mt-30 -161.58 -92.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.691 0.396 . . . . 0.0 110.295 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.1 p -117.4 -83.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 51' ' ' PRO . 33.5 tt0 -164.67 -61.23 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.066 175.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.484 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 8.3 t-20 -58.92 -32.47 69.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.823 ' HZ1' ' HB3' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -128.57 128.67 44.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 170.605 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.469 ' HA ' ' HB2' ' A' ' 76' ' ' GLN . 17.1 pt -151.33 128.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.123 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -99.95 82.28 2.55 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 161.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.74 138.69 22.62 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.543 -0.837 . . . . 0.0 114.246 -166.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 74' ' ' SER . 2.5 m -123.95 141.88 51.65 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.21 40.81 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.509 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -110.66 116.08 30.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' A' ' 67' ' ' ALA . 33.1 pt -108.28 152.84 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 121.626 0.727 . . . . 0.0 112.462 -168.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 31.5 m-85 -131.01 153.72 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.772 -175.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.523 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 57.6 tptt -125.64 138.51 53.91 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.645 -1.162 . . . . 0.0 108.908 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -69.12 156.25 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.305 0.574 . . . . 0.0 111.028 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.509 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 93.5 mttt -93.19 -179.79 5.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.318 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 92' ' ' LEU . 2.0 pt? -111.73 14.33 21.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.142 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE2' ' HD3' ' A' ' 91' ' ' LYS . 35.5 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.653 ' H ' ' HA ' ' A' ' 68' ' ' ASP . . . . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.204 0.526 . . . . 0.0 112.167 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -128.44 162.74 26.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.357 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.619 HD13 HG21 ' A' ' 70' ' ' VAL . 24.7 mm -86.22 123.3 39.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -101.91 138.41 38.91 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.921 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -60.15 146.74 42.2 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 82.6 tttt -61.86 -34.89 76.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.806 0.276 . . . . 0.0 111.387 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.612 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 19.3 m -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.039 0.447 . . . . 0.0 110.423 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.66 -31.02 61.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.9 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' HG23 ' A' ' 33' ' ' VAL . 71.1 t80 -61.69 -44.65 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.964 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.45 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.101 0.477 . . . . 0.0 110.93 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.612 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.1 mptt -75.56 -44.12 44.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 30' ' ' PHE . 33.5 m -80.33 -7.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -18.16 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.359 0.599 . . . . 0.0 109.869 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -86.64 -27.23 23.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.197 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.37 6.22 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.112 -172.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.523 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 17.4 m-85 -133.83 172.9 12.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 111.227 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.403 ' HG1' ' HE2' ' A' ' 91' ' ' LYS . 86.7 m -144.58 134.08 23.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.565 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 87' ' ' ILE . 37.2 ttpt -85.89 121.45 28.55 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.609 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 7.1 pt -90.87 -7.5 10.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.022 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.56 174.42 15.01 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.485 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -105.19 146.53 29.12 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 pt -116.02 163.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 t -152.4 175.54 12.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.769 -175.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.566 HG21 ' HB1' ' A' ' 54' ' ' ALA . 11.2 t -155.48 -179.87 8.51 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.542 HG21 ' HG2' ' A' ' 48' ' ' GLU . 11.4 m -94.19 140.55 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.04 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.659 ' HA2' ' O ' ' A' ' 81' ' ' ILE . . . -73.24 -5.71 67.25 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 114.544 0.577 . . . . 0.0 114.544 -173.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.542 ' HG2' HG21 ' A' ' 46' ' ' THR . 9.2 pt-20 -96.21 37.78 1.23 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.171 0.51 . . . . 0.0 111.204 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.442 ' HE1' ' HB ' ' A' ' 46' ' ' THR . 63.3 mtt -127.35 163.24 24.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.269 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.6 m -71.84 152.9 93.21 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.706 ' HB3' ' HA ' ' A' ' 78' ' ' GLU . 13.2 Cg_endo -56.0 -55.66 2.75 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.012 2.474 . . . . 0.0 113.072 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 9.2 tt -69.27 -35.3 75.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.37 -48.27 80.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB2' HD11 ' A' ' 81' ' ' ILE . . . -66.34 -30.97 71.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 19.6 mtm180 -68.84 -48.22 64.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 17.6 mm-40 -62.01 -29.92 70.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 110.296 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 10.1 t70 -65.33 -45.43 84.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.425 0.631 . . . . 0.0 109.634 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.48 -46.74 78.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.72 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -65.03 -40.93 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.734 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.6 pttp -70.83 -33.08 70.3 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.267 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttpt -70.4 -42.11 72.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.0 110.758 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.67 73.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.202 171.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.0 -38.13 72.66 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.369 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 40.4 mt-10 -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.153 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 54.5 tttp -84.03 -29.2 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.085 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 96.64 43.01 3.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.365 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.564 ' HB1' HD13 ' A' ' 87' ' ' ILE . . . -82.63 159.87 22.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 111.271 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.653 ' HA ' ' H ' ' A' ' 22' ' ' ALA . 18.1 m-20 -111.23 -29.03 8.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 96.6 t -126.56 141.1 46.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.668 HG13 HG23 ' A' ' 87' ' ' ILE . 16.0 m -124.68 142.38 41.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.76 102.09 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.2 mt -77.84 90.29 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.205 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.29 -15.29 57.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.222 0.534 . . . . 0.0 111.071 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.6 m -144.53 178.61 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 -18.1 30.55 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.553 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -94.66 32.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.279 0.539 . . . . 0.0 112.017 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.694 ' HB ' HG23 ' A' ' 81' ' ' ILE . 7.1 m -91.43 -20.42 21.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.211 0.529 . . . . 0.0 110.031 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.706 ' HA ' ' HB3' ' A' ' 51' ' ' PRO . 39.3 tt0 73.56 -66.73 0.29 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.999 173.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -54.75 -64.3 0.88 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 110.55 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -138.84 146.58 41.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 166.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.694 HG23 ' HB ' ' A' ' 77' ' ' THR . 23.4 pt -143.21 124.49 11.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-O 121.181 0.515 . . . . 0.0 112.161 -171.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -85.74 72.24 10.58 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 166.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.36 134.41 50.91 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.823 -1.08 . . . . 0.0 113.073 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.48 139.24 33.27 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.03 134.76 18.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.379 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.15 118.08 36.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.035 0.445 . . . . 0.0 109.813 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.668 HG23 HG13 ' A' ' 70' ' ' VAL . 29.7 pt -105.76 152.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 0.0 111.568 -173.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 58.1 m-85 -130.87 148.73 52.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.197 -176.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.5 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 50.7 tptt -120.05 141.69 49.52 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.977 -173.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -69.23 137.35 53.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.33 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HE2' ' HG1' ' A' ' 38' ' ' THR . 52.2 mttm -79.5 -175.16 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.298 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -11.11 59.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.067 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.307 178.223 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.737 0.304 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -143.88 167.12 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.68 HD11 HG23 ' A' ' 70' ' ' VAL . 21.8 mm -88.6 132.24 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.417 ' HG2' HG22 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -105.51 153.47 21.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.352 175.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -72.62 159.71 33.43 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.583 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.78 -55.03 25.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 13.6 t -74.48 -35.83 63.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.868 -176.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.29 -38.68 85.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.518 ' HA ' HG21 ' A' ' 33' ' ' VAL . 41.8 t80 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.83 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -32.59 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.5 mptt -74.62 -44.64 49.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.036 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.518 HG21 ' HA ' ' A' ' 30' ' ' PHE . 26.1 m -77.07 -19.17 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.949 -177.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.82 57.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.998 0.428 . . . . 0.0 110.891 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 t -83.67 -17.09 42.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.823 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.86 9.9 17.64 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.887 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE2' HG22 ' A' ' 69' ' ' VAL . 10.3 m-85 -127.88 178.34 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.18 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -137.25 141.49 42.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' A' ' 86' ' ' ASP . 40.2 tttp -85.51 122.4 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.002 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.592 HD11 ' HG2' ' A' ' 89' ' ' LYS . 24.0 pt -108.86 2.72 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.653 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.77 170.14 13.11 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.353 -0.927 . . . . 0.0 112.449 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -105.7 155.01 19.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.801 0.334 . . . . 0.0 110.16 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 85' ' ' ALA . 8.9 pt -119.28 163.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -148.46 165.39 31.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 111.312 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.547 HG22 HD21 ' A' ' 58' ' ' LEU . 1.6 p -146.09 121.08 10.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.241 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -156.24 119.36 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.93 -116.35 0.6 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -155.78 90.36 1.22 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.487 0.661 . . . . 0.0 110.93 175.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.627 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 1.4 mmt -143.56 -172.12 3.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.677 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.563 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 48.8 m -90.23 144.36 30.97 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 172.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 -41.11 71.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.177 2.585 . . . . 0.0 113.197 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.56 -35.05 76.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.339 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.563 ' OD2' ' HB2' ' A' ' 50' ' ' SER . 70.9 m-20 -62.61 -45.79 91.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 109.77 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.571 ' HB1' HD13 ' A' ' 81' ' ' ILE . . . -60.08 -45.14 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.81 -48.91 77.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.02 -41.59 75.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.606 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.598 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.0 t70 -69.82 -37.17 76.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.547 HD21 HG22 ' A' ' 45' ' ' THR . 57.8 mt -67.11 -48.8 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.228 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.89 -42.03 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.15 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 52.5 pttt -69.55 -39.43 77.43 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -70.86 -39.57 72.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.412 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.63 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.855 0.36 . . . . 0.0 110.347 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.72 -33.24 72.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.66 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 32.6 mt-10 -69.64 -37.88 76.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.101 175.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -68.46 -32.52 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.38 6.86 12.89 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.275 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.44 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . . . -58.78 153.75 16.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -110.76 -27.23 8.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.008 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 86.3 t -125.94 138.27 55.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.68 HG23 HD11 ' A' ' 24' ' ' ILE . 25.9 m -123.97 142.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.96 175.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.24 104.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.098 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.46 88.02 5.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.029 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 p -75.08 -39.0 61.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.663 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.8 m 59.27 -172.15 0.11 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.676 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.91 -141.85 4.95 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -125.35 46.04 2.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.233 0.54 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 91.5 m -154.75 102.6 2.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.2 -21.87 20.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 173.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -53.23 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.072 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -118.61 10.72 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.438 0.637 . . . . 0.0 110.201 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HB1' ' A' ' 54' ' ' ALA . 16.2 mt 69.57 152.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.508 -1.224 . . . . 0.0 112.127 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -175.9 45.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.99 146.33 16.06 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.761 -172.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.2 p -116.52 153.26 32.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.024 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -136.85 132.39 34.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' A' ' 39' ' ' LYS . 23.1 t70 -108.64 126.48 53.01 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.656 HG23 HG13 ' A' ' 70' ' ' VAL . 22.1 pt -115.71 153.91 17.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.662 0.744 . . . . 0.0 112.447 -170.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.541 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 32.8 m-85 -133.23 155.14 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.816 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 40' ' ' ILE . 22.6 mmmt -111.86 153.56 26.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.425 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.13 159.07 24.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -105.23 -177.04 3.25 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.083 -176.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -100.2 -5.38 27.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.499 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.114 0.483 . . . . 0.0 111.308 179.469 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.672 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.422 0.153 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.22 167.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.191 0.52 . . . . 0.0 111.495 -175.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.65 HD11 HG21 ' A' ' 70' ' ' VAL . 18.3 mm -84.36 147.24 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.9 mmt -121.48 143.27 49.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.368 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -71.69 161.99 30.14 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 12.4 mptt -63.69 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.563 -173.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.6 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 8.9 t -71.73 -43.07 66.48 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.469 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.62 -39.55 67.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.386 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.74 -48.27 80.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.454 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.96 -33.01 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.174 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.3 mptt -74.46 -42.41 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.0 m -79.59 -20.55 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.796 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -21.04 63.19 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -62.73 -42.92 99.9 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.89 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -122.84 32.75 5.62 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.407 0.622 . . . . 0.0 111.661 -175.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -113.78 179.93 3.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -128.27 144.76 51.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 110.732 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -94.43 122.72 37.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.627 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.515 HG13 HG13 ' A' ' 87' ' ' ILE . 15.0 pt -116.61 7.87 7.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.01 0.433 . . . . 0.0 111.527 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.26 171.6 19.3 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.507 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.4 m -105.72 153.99 21.09 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.22 164.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.527 ' HB2' HG21 ' A' ' 84' ' ' THR . 19.0 t -159.18 -179.58 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.981 0.42 . . . . 0.0 110.887 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -153.82 157.77 39.85 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -155.51 130.84 9.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.113 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . 141.64 -111.66 0.71 Allowed Glycine 0 N--CA 1.441 -1.005 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.894 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.72 99.2 3.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.758 0.789 . . . . 0.0 110.455 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.3 mmm -138.86 162.23 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.358 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.4 m -89.77 148.53 40.12 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -59.74 -41.07 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.127 1.885 . . . . 0.0 113.626 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.95 -37.5 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.175 0.512 . . . . 0.0 110.113 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.9 -36.17 83.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.352 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.57 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -59.44 -51.1 71.32 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.29 -26.56 66.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.122 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 13.4 t70 -65.75 -48.25 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.9 -44.23 96.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.183 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mt -61.45 -48.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.14 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HA ' ' HE2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.58 -43.19 97.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -63.07 -41.46 99.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.171 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.3 92.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.393 . . . . 0.0 110.869 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.62 -32.77 74.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.353 0.597 . . . . 0.0 110.612 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' HZ1' ' A' ' 60' ' ' LYS . 33.3 mt-10 -78.2 -20.81 51.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.695 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -92.81 -28.04 16.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.08 50.87 0.86 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.185 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.494 ' HB2' HD13 ' A' ' 87' ' ' ILE . . . -95.19 168.85 10.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.14 0.495 . . . . 0.0 111.489 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.672 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 17.2 t70 -126.36 -39.37 2.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.476 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -125.44 137.54 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.321 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 87' ' ' ILE . 17.6 m -119.74 143.39 31.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.194 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.29 115.28 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.037 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.72 83.45 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -73.9 -42.89 60.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p 54.57 -166.75 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 113.158 174.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.76 139.16 7.8 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.94 72.67 3.52 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.883 0.849 . . . . 0.0 111.14 -174.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 m -150.49 90.89 1.69 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.101 171.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.12 -21.36 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.031 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.99 -66.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.313 0.577 . . . . 0.0 109.829 174.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 17.5 pttp -131.01 113.29 13.79 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.409 HG21 ' H ' ' A' ' 83' ' ' GLY . 1.6 mt -75.26 146.68 9.04 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.117 -165.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -143.8 25.5 1.62 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.125 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.409 ' H ' HG21 ' A' ' 81' ' ' ILE . . . -74.24 160.99 53.57 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.924 -1.034 . . . . 0.0 113.469 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.527 HG21 ' HB2' ' A' ' 44' ' ' SER . 23.8 p -123.13 155.32 37.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.52 133.44 45.08 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.91 127.06 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 70' ' ' VAL . 17.5 pt -116.27 152.8 17.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.613 0.72 . . . . 0.0 112.502 -171.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -130.75 153.72 48.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.936 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -118.57 130.93 56.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.524 ' HZ1' ' CG ' ' A' ' 68' ' ' ASP . 2.3 ttmp? -69.9 134.81 48.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.324 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.626 ' HB2' ' HG2' ' A' ' 93' ' ' GLU . 7.0 mtpm? -84.68 -169.05 2.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.281 0.562 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -111.8 25.82 11.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.655 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.626 ' HG2' ' HB2' ' A' ' 91' ' ' LYS . 19.2 mm-40 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.471 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -109.32 153.34 24.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.345 -174.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.508 HD11 HG21 ' A' ' 70' ' ' VAL . 12.7 mm -94.56 134.0 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.6 173.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.81 159.32 24.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 94.2 mttt -76.58 140.79 41.19 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.85 -33.15 66.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -50.1 54.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.566 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.5 p-10 -77.49 -31.97 53.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.196 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HZ ' ' CE1' ' A' ' 88' ' ' TYR . 48.0 t80 -59.05 -44.75 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.245 177.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.59 -33.87 76.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.047 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.0 -37.67 54.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.028 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.6 m -88.06 -10.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.417 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . . . -64.08 -21.5 66.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.434 0.635 . . . . 0.0 109.625 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -57.03 -28.46 62.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.052 173.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 12.6 mt-10 -105.42 19.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.04 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CE2' HG21 ' A' ' 33' ' ' VAL . 21.7 m-30 -124.99 167.08 15.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.794 -178.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.9 m -144.2 116.38 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.828 0.347 . . . . 0.0 110.291 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.05 137.6 56.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 pt -106.36 -23.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.12 172.34 25.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.973 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -105.85 153.32 22.1 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.525 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -117.95 164.42 14.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 8.8 t -148.58 165.37 31.46 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.687 -173.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.525 HG23 HD21 ' A' ' 58' ' ' LEU . 1.2 p -140.71 114.87 9.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.235 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 m -150.95 119.18 6.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -179.55 -111.21 0.3 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.732 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 6.7 pt-20 -164.94 58.31 0.13 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.034 0.921 . . . . 0.0 110.051 174.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 78.7 mmm -111.41 -166.95 1.12 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.313 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 p -99.77 143.0 25.64 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 174.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' HD12 ' A' ' 52' ' ' LEU . 17.2 Cg_endo -58.65 -53.12 4.24 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.046 2.497 . . . . 0.0 113.903 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.645 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.5 mp -63.12 -39.98 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.975 -175.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -46.75 76.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -72.3 -26.57 62.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.645 HH21 ' HG ' ' A' ' 52' ' ' LEU . 15.8 mtm180 -67.6 -38.91 84.65 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.4 mt-10 -60.46 -36.87 79.29 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.339 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 14.2 t70 -64.63 -41.9 95.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 45' ' ' THR . 77.4 mt -61.53 -47.94 83.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.612 174.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 56' ' ' GLU . 39.0 mt -59.74 -42.3 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.434 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.93 -48.61 65.46 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.705 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 8.9 ttpt -59.91 -41.98 92.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.53 -176.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.39 91.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.904 0.383 . . . . 0.0 111.19 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.24 -40.43 81.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.233 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.1 -33.94 77.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.867 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -36.82 74.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.59 16.56 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.381 174.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.501 ' HA ' ' CD ' ' A' ' 89' ' ' LYS . . . -63.69 143.11 58.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.201 0.5 . . . . 0.0 111.242 -177.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' A' ' 89' ' ' LYS . 61.9 m-20 -90.37 -35.09 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.334 0.588 . . . . 0.0 110.62 -176.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 37' ' ' TYR . 58.9 t -124.68 135.92 62.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.802 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 87' ' ' ILE . 23.9 m -126.03 143.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.609 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.09 108.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -84.39 98.41 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.14 -6.94 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 174.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.668 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 21.4 p -53.97 103.68 0.09 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.524 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.85 -143.35 3.67 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 68.08 -61.15 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.118 0.967 . . . . 0.0 112.109 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.62 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 19.6 m -125.89 91.75 3.45 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -172.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.35 -23.43 40.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.785 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . 0.422 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER -55.55 -70.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.06 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB2' ' HA ' ' A' ' 48' ' ' GLU . 18.7 pttm -106.24 6.18 30.5 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.235 0.54 . . . . 0.0 110.05 177.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.62 ' HA ' ' O ' ' A' ' 77' ' ' THR . 10.1 mt 69.62 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.82 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -161.84 23.42 0.12 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.641 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.668 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -101.7 163.91 17.52 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.632 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 36.5 p -121.24 -176.94 3.4 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.525 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -153.41 132.72 12.76 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.18 120.39 42.38 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -174.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.544 HG21 HG11 ' A' ' 70' ' ' VAL . 26.1 pt -115.98 152.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.116 -171.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.535 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 62.8 m-85 -138.0 148.82 45.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.527 -174.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.502 ' HZ1' ' CG ' ' A' ' 68' ' ' ASP . 28.0 mmmt -105.65 169.66 8.35 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.744 ' HB3' ' HZ2' ' A' ' 90' ' ' LYS . 7.8 mtpm? -83.8 150.12 25.98 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.228 0.537 . . . . 0.0 110.903 174.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 41.5 mttp -75.51 -174.73 2.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.405 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 pp -92.22 25.1 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.522 0.677 . . . . 0.0 109.309 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.274 -179.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 112.203 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.73 153.69 39.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.261 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.683 HD13 HG22 ' A' ' 70' ' ' VAL . 29.5 mm -87.65 138.0 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.911 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.0 mmt -125.03 160.54 28.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -74.73 160.66 30.47 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.058 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -57.14 -53.1 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -69.78 -37.51 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 111.158 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.09 -37.89 72.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.488 ' HA ' HG21 ' A' ' 33' ' ' VAL . 60.2 t80 -61.41 -41.94 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.597 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.93 -31.79 72.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 110.635 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.64 -41.26 46.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.861 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.488 HG21 ' HA ' ' A' ' 30' ' ' PHE . 33.8 m -79.01 -25.07 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.391 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.58 62.09 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.949 0.404 . . . . 0.0 111.426 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -63.65 -33.13 74.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -107.66 28.62 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.713 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 11.0 m-85 -135.31 169.99 16.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.19 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -129.17 150.35 50.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -103.64 111.72 24.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.525 0.679 . . . . 0.0 110.326 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.546 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 5.9 pt -82.4 -7.73 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.188 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.96 169.46 12.52 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.032 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -94.69 151.19 19.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.064 0.459 . . . . 0.0 109.943 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.533 HG13 HD23 ' A' ' 58' ' ' LEU . 16.1 pt -121.28 164.19 18.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.905 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t -150.37 166.98 28.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.031 -176.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -125.9 109.57 12.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.218 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -105.73 116.33 31.75 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.42 0.628 . . . . 0.0 110.759 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.84 -126.38 1.54 Allowed Glycine 0 N--CA 1.436 -1.355 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.49 95.79 0.93 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.542 0.686 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.3 mmt -136.02 178.06 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.696 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -79.4 151.64 75.13 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 4.6 Cg_endo -50.09 -42.89 44.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.913 2.408 . . . . 0.0 113.566 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.68 -42.25 82.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.26 -37.98 84.37 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.047 0.451 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.56 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.15 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' HD2' HD12 ' A' ' 72' ' ' LEU . 35.9 mtm180 -65.25 -45.88 82.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.125 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.532 ' HA ' HD11 ' A' ' 59' ' ' ILE . 33.0 mt-10 -64.88 -33.27 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.273 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.61 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 8.4 t70 -70.19 -31.76 69.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.308 0.575 . . . . 0.0 109.959 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . 0.533 HD23 HG13 ' A' ' 43' ' ' ILE . 81.3 mt -72.52 -41.9 65.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.277 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 56' ' ' GLU . 48.8 mt -59.91 -41.57 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.61 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 33.9 mtpt -56.11 -49.15 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.726 174.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -69.34 -38.76 78.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.351 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.53 89.52 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.216 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.24 -38.67 85.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.079 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.28 -30.59 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.734 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.546 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 33.0 tttp -99.45 -5.71 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.11 42.94 41.86 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.088 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 87' ' ' ILE . . . -75.12 148.07 40.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.464 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 25.7 t70 -103.07 -34.23 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.487 0.66 . . . . 0.0 110.051 -176.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.415 HG23 ' CE2' ' A' ' 37' ' ' TYR . 56.3 t -125.16 139.2 51.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.401 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.683 HG22 HD13 ' A' ' 24' ' ' ILE . 24.1 m -129.65 144.09 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.9 t -123.1 112.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 HD12 ' HD2' ' A' ' 55' ' ' ARG . 96.5 mt -86.88 87.14 7.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.43 0.633 . . . . 0.0 110.873 -176.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -79.0 -11.36 60.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.973 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 p -51.01 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.07 69.84 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.527 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -61.71 -40.23 94.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.1 m -151.06 -92.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.768 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -153.38 -56.74 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.809 0.338 . . . . 0.0 110.146 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.05 -49.83 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -81.24 45.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.615 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 pt -98.62 149.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.9 0.857 . . . . 0.0 113.178 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -133.07 85.09 2.19 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 164.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.62 134.53 51.42 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-N 115.209 -0.905 . . . . 0.0 114.108 -166.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.8 p -133.27 146.92 51.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.016 -0.592 . . . . 0.0 109.883 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.447 ' HB3' HD12 ' A' ' 58' ' ' LEU . . . -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.198 -0.314 . . . . 0.0 110.377 178.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.52 112.52 25.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.643 HG21 HG13 ' A' ' 70' ' ' VAL . 26.2 pt -116.39 152.41 18.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 121.578 0.704 . . . . 0.0 112.4 -170.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HD2' ' HB3' ' A' ' 37' ' ' TYR . 5.3 m-85 -130.93 151.59 51.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.24 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -120.88 147.44 45.41 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.53 -1.213 . . . . 0.0 108.317 -171.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HZ2' ' CG ' ' A' ' 68' ' ' ASP . 18.6 mttp -64.8 149.15 49.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.286 0.565 . . . . 0.0 111.083 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.556 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 88.4 mttt -90.73 178.85 5.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.254 176.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -94.54 13.2 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.583 0.706 . . . . 0.0 109.964 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.656 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.007 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.35 155.75 29.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.447 HD11 HG22 ' A' ' 70' ' ' VAL . 32.6 mm -95.34 127.44 47.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.521 ' SD ' HG21 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -110.52 149.73 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.939 0.399 . . . . 0.0 111.3 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -63.86 155.22 31.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.79 -50.08 74.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.486 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.0 m -69.09 -41.56 77.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.476 0.655 . . . . 0.0 110.606 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.0 -41.71 90.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.489 ' HA ' HG21 ' A' ' 33' ' ' VAL . 54.2 t80 -61.36 -46.43 90.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.26 68.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.184 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 28' ' ' THR . 11.1 mptt -73.97 -45.02 52.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.018 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 30' ' ' PHE . 32.8 m -77.55 -16.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.045 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.45 -20.81 63.54 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.181 0.515 . . . . 0.0 110.492 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -72.11 -31.56 66.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.533 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -105.39 18.37 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.521 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.503 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 7.7 m-85 -131.39 165.19 24.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.269 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.6 m -126.7 125.19 41.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HZ2' ' CG ' ' A' ' 86' ' ' ASP . 63.4 tttp -75.11 109.22 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.317 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -80.73 -11.82 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.11 178.62 20.83 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.779 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -106.59 154.15 21.31 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 19.5 pt -120.61 163.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -153.19 172.82 16.37 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.556 HG21 ' HB1' ' A' ' 54' ' ' ALA . 73.7 p -117.63 115.91 26.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.022 0.439 . . . . 0.0 111.885 -178.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 m -119.03 111.23 18.05 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.28 -14.63 0.26 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.362 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 58.83 77.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.338 0.59 . . . . 0.0 111.335 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.13 176.75 4.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -64.46 143.15 98.52 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.81 -46.47 27.37 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.278 2.652 . . . . 0.0 113.836 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.528 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 95.1 mt -71.02 -39.31 72.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.3 . . . . 0.0 110.68 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.88 -41.28 78.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.551 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.69 -33.93 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.008 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.85 -44.45 66.39 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.132 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 26.3 mm-40 -58.73 -37.64 76.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.999 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.617 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 26.6 t70 -72.21 -34.75 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.563 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.67 -41.28 99.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.189 0.518 . . . . 0.0 109.878 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 56' ' ' GLU . 20.5 mt -66.1 -40.43 87.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.069 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 30.0 mtpt -59.07 -57.93 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.763 174.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.1 -36.78 84.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.921 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.607 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.66 -43.85 97.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.935 0.398 . . . . 0.0 110.822 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -42.84 99.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.706 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.65 -34.07 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.512 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.92 44.68 3.54 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.871 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.26 143.95 25.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.401 ' HB3' ' HE2' ' A' ' 37' ' ' TYR . 12.4 t70 -90.92 -42.2 10.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.521 HG21 ' SD ' ' A' ' 25' ' ' MET . 98.4 t -125.54 139.48 51.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.831 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 87' ' ' ILE . 31.2 m -125.83 143.27 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.77 122.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.442 . . . . 0.0 110.232 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.52 89.73 7.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -71.6 -47.66 53.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.813 174.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' A' ' 84' ' ' THR . 29.9 m 55.31 -159.35 0.2 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.628 170.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.94 119.38 3.29 Favored Glycine 0 N--CA 1.432 -1.615 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.793 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -59.34 -23.66 62.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.253 0.549 . . . . 0.0 110.804 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.7 p -84.91 69.79 10.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.294 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.686 ' HA ' HG21 ' A' ' 81' ' ' ILE . 31.3 tt0 -45.4 -41.36 9.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.623 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.25 -26.12 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -137.88 40.78 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.934 0.397 . . . . 0.0 110.999 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.686 HG21 ' HA ' ' A' ' 78' ' ' GLU . 12.4 pt -60.78 127.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -86.64 -9.22 56.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.225 167.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.522 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . 66.22 135.44 0.03 OUTLIER Glycine 0 C--O 1.226 -0.388 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.165 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.48 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -154.25 151.54 29.27 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 122.555 -0.379 . . . . 0.0 110.723 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 141.81 17.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 171.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.564 ' CG ' ' HZ2' ' A' ' 39' ' ' LYS . 1.8 t70 -114.29 120.04 39.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.607 HG21 ' HB1' ' A' ' 62' ' ' ALA . 24.5 pt -118.12 153.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.8 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 37' ' ' TYR . 19.5 m-85 -135.42 149.97 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.2 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -111.26 146.58 36.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.25 133.73 50.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.773 0.321 . . . . 0.0 110.868 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.9 mttt -77.74 -174.4 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.821 0.819 . . . . 0.0 111.622 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 pp -85.7 -8.76 57.99 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.216 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' OE2' ' HD3' ' A' ' 91' ' ' LYS . 45.0 mt-10 . . . . . 0 C--O 1.226 -0.164 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HG12 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.992 0.425 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -141.37 167.11 22.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.78 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.67 HD11 HG21 ' A' ' 70' ' ' VAL . 31.4 mm -77.89 142.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.69 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -120.9 159.66 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.83 154.27 42.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.415 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -67.64 -35.28 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.199 0.523 . . . . 0.0 110.996 -174.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 p -70.65 -46.02 64.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.025 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.444 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -66.76 -30.67 70.94 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.084 175.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.519 ' HA ' HG23 ' A' ' 33' ' ' VAL . 65.9 t80 -57.6 -44.3 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.8 -31.13 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 110.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -83.73 -33.24 25.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.609 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 26.4 m -82.67 -10.88 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 122.372 -0.205 . . . . 0.0 110.528 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -14.38 17.77 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 121.368 0.604 . . . . 0.0 110.294 172.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -90.15 -32.02 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.924 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.25 -4.07 27.81 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.609 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 15.6 m-85 -120.11 176.97 5.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.153 0.502 . . . . 0.0 111.484 -174.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.4 m -141.81 162.09 36.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.338 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -108.78 109.81 21.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 pt -85.01 -3.21 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.459 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.07 169.6 11.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.951 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -106.45 150.67 25.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.42 HG13 ' HB1' ' A' ' 85' ' ' ALA . 24.0 pt -121.95 165.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.548 ' HB3' HG23 ' A' ' 84' ' ' THR . 1.4 p -147.31 172.16 14.31 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.804 0.335 . . . . 0.0 111.533 -177.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -96.55 129.68 43.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -145.5 135.31 23.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.372 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.68 -13.3 17.85 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.838 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.38 79.56 0.19 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.314 0.646 . . . . 0.0 111.966 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' MET . . . . . 0.614 ' HE3' ' HA ' ' A' ' 49' ' ' MET . 21.8 mmt -102.4 -164.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.532 178.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -83.39 150.35 60.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.86 -52.59 7.92 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.491 2.794 . . . . 0.0 113.985 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.29 -26.52 58.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.63 0.252 . . . . 0.0 111.232 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.06 -34.15 57.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.297 0.57 . . . . 0.0 110.057 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.2 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.916 175.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -63.11 -42.71 99.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.932 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 19.3 mm-40 -54.4 -42.66 70.7 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.662 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ASP . . . . . 0.677 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.4 t70 -63.27 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.429 . . . . 0.0 109.98 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.9 mt -66.32 -47.15 74.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.212 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.55 -43.84 96.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 33.5 mmtp -73.3 -40.25 64.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.848 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.5 ttpt -61.64 -39.23 90.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.2 85.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.67 -36.92 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.973 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 57.2 mm-40 -56.16 -40.77 74.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.667 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -87.47 -25.65 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.349 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.78 86.37 1.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.604 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.33 160.45 28.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -104.38 -36.03 7.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.493 0.663 . . . . 0.0 110.264 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.55 142.07 43.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.798 HG13 HG21 ' A' ' 87' ' ' ILE . 27.8 m -124.23 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.82 108.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -74.87 90.43 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.683 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -2.34 46.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.292 178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.476 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 60.0 m -60.28 104.51 0.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.732 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.96 -77.03 0.66 Allowed Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -80.35 68.02 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.849 0.833 . . . . 0.0 109.999 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.769 ' HA ' HG23 ' A' ' 81' ' ' ILE . 13.3 m -92.81 80.84 4.67 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.434 -177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.63 -48.82 0.07 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.538 171.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -116.91 -79.89 0.6 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.521 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -81.84 51.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.486 0.66 . . . . 0.0 110.761 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.769 HG23 ' HA ' ' A' ' 77' ' ' THR . 28.9 pt -58.35 117.24 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.653 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -152.44 25.91 0.59 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.476 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -80.97 -174.01 48.21 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.204 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' THR . . . . . 0.548 HG23 ' HB3' ' A' ' 44' ' ' SER . 41.1 p -125.08 177.19 6.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.049 0.452 . . . . 0.0 111.032 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.42 ' HB1' HG13 ' A' ' 43' ' ' ILE . . . -144.55 132.06 20.95 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 168.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -102.44 117.26 34.34 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.798 HG21 HG13 ' A' ' 70' ' ' VAL . 19.8 pt -107.67 151.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-O 121.224 0.535 . . . . 0.0 110.681 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' TYR . . . . . 0.421 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 93.5 m-85 -136.28 143.23 44.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.29 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -111.2 139.06 46.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.05 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -75.8 141.42 42.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -72.1 -172.4 0.87 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.161 0.505 . . . . 0.0 111.308 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.12 -7.61 22.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.459 -169.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.138 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tmm? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.19 112.5 0.99 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.534 0.683 . . . . 0.0 111.254 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 m -67.48 133.47 49.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.338 -174.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.66 67.16 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.482 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -127.03 141.33 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -127.4 143.11 51.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.7 105.63 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.367 0.604 . . . . 0.0 110.61 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.6 ttp -109.92 94.2 4.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.649 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -116.38 154.86 29.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.357 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.36 98.66 0.14 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.77 128.34 52.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.639 0.257 . . . . 0.0 110.35 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD11 ' N ' ' A' ' 13' ' ' ALA . 2.5 pp -142.7 -21.28 0.66 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.508 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.422 ' N ' HD11 ' A' ' 12' ' ' LEU . . . -121.99 107.69 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.734 0.302 . . . . 0.0 110.655 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -157.76 106.14 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.34 101.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.639 0.733 . . . . 0.0 110.317 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.58 89.1 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.522 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 19.76 2.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.681 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -97.84 123.44 41.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.929 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 128.5 71.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.315 0.578 . . . . 0.0 110.696 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -107.01 165.73 11.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.813 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.35 142.48 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.107 0.254 . . . . 0.0 111.241 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.569 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -83.5 137.28 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -143.89 156.45 44.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.203 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.725 HD12 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -73.33 124.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.071 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.404 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 10.3 tpt -104.98 147.68 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.178 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -56.92 133.26 54.53 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -53.65 -38.56 64.23 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.327 0.392 . . . . 0.0 111.639 -174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m -65.22 -52.38 55.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.323 . . . . 0.0 111.223 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.63 -39.41 88.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.135 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.404 ' HB2' ' HB3' ' A' ' 25' ' ' MET . 38.8 t80 -52.46 -48.45 65.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.374 0.607 . . . . 0.0 110.482 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -78.7 -31.33 46.51 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.885 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.17 -19.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.012 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.498 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.88 -21.87 63.72 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.154 0.502 . . . . 0.0 110.918 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.9 t -65.82 -24.1 66.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.191 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -119.94 32.09 6.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.438 0.637 . . . . 0.0 110.039 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.498 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.9 m-85 -135.08 161.51 35.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.463 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -121.0 152.66 38.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.945 -171.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -97.86 119.9 37.29 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.093 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 pt -101.14 -4.09 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.77 165.65 11.43 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.276 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -105.61 146.82 29.18 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.0 pt -112.63 164.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.549 ' HB3' HG22 ' A' ' 84' ' ' THR . 4.1 p -151.12 172.89 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 112.406 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.588 HG22 ' HB2' ' A' ' 54' ' ' ALA . 47.9 p -123.58 135.28 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.354 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -128.25 149.62 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.111 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.37 -103.83 3.04 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.381 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.7 128.19 3.29 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.353 -0.923 . . . . 0.0 109.659 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.526 ' HB2' HD11 ' A' ' 81' ' ' ILE . 84.4 mmm -141.87 169.66 17.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.468 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -86.73 143.32 35.48 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.674 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 12.1 Cg_endo -56.81 -55.93 2.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.288 1.992 . . . . 0.0 112.75 -172.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.81 -32.4 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.74 0.305 . . . . 0.0 111.064 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.468 ' HB3' ' HB3' ' A' ' 50' ' ' SER . 38.4 t70 -68.38 -39.7 81.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.022 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.588 ' HB2' HG22 ' A' ' 45' ' ' THR . . . -69.07 -37.74 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.682 176.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.674 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 38.0 mtt180 -57.26 -57.62 11.81 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.508 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.2 mt-10 -60.85 -35.89 77.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 -176.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.96 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 29.4 t70 -66.57 -42.81 86.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.165 177.625 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.49 HD13 HG23 ' A' ' 45' ' ' THR . 24.1 mt -65.53 -46.07 81.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.038 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.41 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.545 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.96 ' HE3' ' HA ' ' A' ' 57' ' ' ASP . 23.2 pttp -68.27 -37.49 80.75 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.947 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.617 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.8 ttpt -63.67 -44.53 93.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.853 0.461 . . . . 0.0 111.219 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.541 ' HB3' HG21 ' A' ' 87' ' ' ILE . . . -62.64 -45.24 93.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.81 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.226 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.64 -35.93 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.339 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -83.22 4.64 25.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.422 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 80.97 66.31 1.63 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.177 173.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.46 158.41 20.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 110.238 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -40.48 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.506 0.67 . . . . 0.0 109.67 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -126.47 137.76 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.322 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.725 HG23 HD12 ' A' ' 24' ' ' ILE . 27.5 m -127.21 144.17 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.76 127.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.633 0.254 . . . . 0.0 110.503 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.35 88.57 5.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -70.66 -39.16 73.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.466 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.1 m -153.85 -176.65 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.474 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . 96.34 4.96 59.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.943 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 29.66 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.14 0.495 . . . . 0.0 110.083 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.516 ' HB ' HG23 ' A' ' 81' ' ' ILE . 11.2 m -76.75 -81.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' H ' HG22 ' A' ' 81' ' ' ILE . 3.7 tm-20 -176.81 -93.3 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.441 ' HA ' ' O ' ' A' ' 49' ' ' MET . 2.7 t-20 -102.84 -48.7 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.908 -0.495 . . . . 0.0 111.068 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.78 44.04 0.36 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.295 0.569 . . . . 0.0 111.356 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.526 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.0 pt -85.42 117.87 31.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.868 0.842 . . . . 0.0 113.106 -175.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -116.43 59.79 0.74 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.474 ' HA3' ' CA ' ' A' ' 75' ' ' GLY . . . -95.45 174.59 32.31 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.281 -167.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.549 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.1 p -137.69 139.79 40.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.123 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.13 54.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.477 ' OD2' ' HE1' ' A' ' 88' ' ' TYR . 33.1 t70 -106.22 122.14 45.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.541 HG21 ' HB3' ' A' ' 62' ' ' ALA . 26.0 pt -116.47 153.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.162 0.506 . . . . 0.0 111.936 -171.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' HE1' ' OD2' ' A' ' 86' ' ' ASP . 20.3 m-85 -133.72 149.64 51.49 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.563 0.696 . . . . 0.0 111.032 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 66' ' ' GLY . 54.2 tptt -113.56 141.49 47.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.253 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 3.9 ttmp? -67.36 139.63 57.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.677 0.275 . . . . 0.0 110.981 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.443 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 98.6 mttt -81.82 179.66 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.167 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.486 ' HB2' ' OE2' ' A' ' 93' ' ' GLU . 74.3 mt -90.65 -8.95 48.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.486 ' OE2' ' HB2' ' A' ' 92' ' ' LEU . 2.4 mp0 -123.82 160.09 28.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.808 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -160.19 174.89 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.349 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -59.01 117.0 4.19 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.244 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 54.54 -159.37 0.17 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.934 0.771 . . . . 0.0 111.774 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -133.03 81.34 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.541 0.686 . . . . 0.0 109.806 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -160.54 151.91 19.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.814 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.808 175.686 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.5 66.88 9.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.726 0.774 . . . . 0.0 111.092 178.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -76.69 103.19 6.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.476 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.66 91.31 1.04 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.472 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -143.71 114.76 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 116.88 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.541 0.686 . . . . 0.0 110.1 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -88.55 101.56 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.395 0.616 . . . . 0.0 110.952 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.0 ttm -140.28 125.67 18.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.085 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.6 pp -60.29 153.26 22.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.366 0.603 . . . . 0.0 111.782 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.29 16.71 3.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.933 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.73 75.96 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.419 0.628 . . . . 0.0 111.371 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.0 mt -138.59 103.04 4.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.9 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.05 116.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.891 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -128.05 125.76 39.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.989 0.423 . . . . 0.0 110.911 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -148.04 108.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.13 134.4 46.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 p -120.17 141.79 49.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.98 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -160.78 147.66 15.37 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -150.59 130.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 110.694 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -139.76 80.83 1.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.669 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.11 61.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.313 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.484 ' HB1' HG12 ' A' ' 70' ' ' VAL . . . -62.24 118.84 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.091 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -128.8 152.44 48.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.608 HD13 HG21 ' A' ' 70' ' ' VAL . 25.7 mm -84.8 129.64 37.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mmt -109.32 152.08 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.15 0.5 . . . . 0.0 111.576 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.568 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -72.72 170.21 15.04 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.718 172.794 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -67.49 -41.36 84.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.534 0.207 . . . . 0.0 110.972 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 p -70.47 -45.31 65.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.978 0.418 . . . . 0.0 111.205 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.6 -42.9 99.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.521 ' HA ' HG21 ' A' ' 33' ' ' VAL . 76.4 t80 -60.92 -42.19 97.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 111.093 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -80.77 -38.99 27.6 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.122 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.521 HG21 ' HA ' ' A' ' 30' ' ' PHE . 33.3 m -81.37 -25.05 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.472 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -57.79 -25.93 61.24 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.044 0.449 . . . . 0.0 111.032 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 t -61.4 -41.23 96.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.813 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' C ' ' HD1' ' A' ' 37' ' ' TYR . 16.9 mt-10 -97.38 24.73 6.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.359 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HD1' ' C ' ' A' ' 36' ' ' GLU . 3.5 m-30 -124.88 170.82 10.7 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -143.61 125.02 14.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.016 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -69.05 127.53 33.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.124 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.1 pt -115.33 4.76 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 112.001 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 164.77 12.18 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.812 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -105.25 153.54 21.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.107 0.479 . . . . 0.0 110.46 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 85' ' ' ALA . 15.9 pt -114.13 164.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.439 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 20.8 t -146.42 165.74 28.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 0.0 111.209 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.477 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 0.6 OUTLIER -136.36 149.06 48.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.737 -178.114 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t 179.99 155.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.708 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.511 ' O ' ' HD2' ' A' ' 80' ' ' LYS . . . 150.26 -109.62 0.44 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -167.4 31.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.457 0.646 . . . . 0.0 110.017 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.804 ' HE2' ' HA ' ' A' ' 49' ' ' MET . 10.9 mmt -91.24 168.14 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.072 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -66.36 143.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.557 ' HA ' HD12 ' A' ' 81' ' ' ILE . 35.6 Cg_endo -63.92 -28.87 67.03 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 121.898 1.732 . . . . 0.0 112.889 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -76.01 -42.58 47.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.158 173.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.12 -39.75 93.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.674 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -71.15 -31.28 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -67.26 -49.46 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' HA ' HD11 ' A' ' 59' ' ' ILE . 11.6 pt-20 -65.59 -26.91 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.678 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.71 -44.08 87.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.36 -49.84 70.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.831 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.452 HD11 ' HA ' ' A' ' 56' ' ' GLU . 56.3 mt -56.89 -44.1 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.668 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -73.2 -33.78 65.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.659 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.9 mtpp -72.08 -40.28 68.36 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.178 0.513 . . . . 0.0 112.167 -177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.537 ' HB2' HG22 ' A' ' 87' ' ' ILE . . . -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.11 172.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.53 -32.89 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -61.04 -42.91 99.38 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.746 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -79.19 -14.79 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 110.709 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 79.91 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.002 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.44 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -118.57 146.11 44.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.918 0.389 . . . . 0.0 110.19 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.47 -51.26 4.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.405 ' CG2' ' HE2' ' A' ' 37' ' ' TYR . 44.7 t -127.91 141.03 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.867 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.637 HG13 HG21 ' A' ' 87' ' ' ILE . 27.0 m -119.38 143.17 31.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.5 t -119.45 105.73 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.09 93.09 5.1 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -67.12 -33.16 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.2 p 60.67 161.59 0.05 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.797 1.239 . . . . 0.0 112.613 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.564 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . -88.19 -37.69 7.6 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.42 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 60.58 32.66 20.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 122.35 1.071 . . . . 0.0 108.783 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.754 ' HB ' ' HA ' ' A' ' 81' ' ' ILE . 3.2 m -89.26 -31.98 17.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.978 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 71.37 -54.02 0.67 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.43 0.692 . . . . 0.0 112.239 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -52.26 -72.35 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.511 0.724 . . . . 0.0 111.965 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.511 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 53.0 pttt -139.46 4.84 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.451 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.754 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 5.8 mt 62.38 155.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.835 -175.27 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.477 ' HA ' ' O ' ' A' ' 45' ' ' THR . 8.8 t-160 -158.6 27.2 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.615 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -103.09 -163.05 25.68 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.988 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 16.0 p -137.95 179.28 6.53 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.372 0.606 . . . . 0.0 112.095 -171.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -154.88 133.56 12.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.553 169.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -112.17 127.17 55.86 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.637 HG21 HG13 ' A' ' 70' ' ' VAL . 30.4 pt -115.95 153.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-O 121.3 0.571 . . . . 0.0 112.15 -170.74 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -131.48 145.73 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.865 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -108.99 165.54 11.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.0 142.5 38.23 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.43 177.43 1.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 0.0 110.953 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.426 HD13 ' HG3' ' A' ' 93' ' ' GLU . 4.2 pp -86.07 -24.28 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HG3' HD13 ' A' ' 92' ' ' LEU . 31.7 mt-10 -84.44 101.99 12.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.601 173.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -145.99 -175.31 4.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -171.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.6 t60 66.15 70.0 0.43 Allowed 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.785 0.678 . . . . 0.0 110.116 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.405 ' O ' ' HB2' ' A' ' 97' ' ' HIS . 14.1 p-80 -105.99 25.48 10.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -176.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 94.8 m-70 77.18 138.14 0.06 Allowed 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.054 0.846 . . . . 0.0 111.197 -177.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -171.5 165.45 6.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.143 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.727 178.17 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.751 0.31 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -173.45 112.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.535 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 m -153.54 131.8 11.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.17 123.46 0.67 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.741 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.9 161.2 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.828 0.347 . . . . 0.0 110.441 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -97.47 101.15 12.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.184 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.11 132.53 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.052 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.452 ' O ' ' HG2' ' A' ' 8' ' ' MET . 0.9 OUTLIER -153.32 89.13 1.33 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.54 0.686 . . . . 0.0 110.236 176.051 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.45 77.56 1.71 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.241 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.02 141.5 15.37 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.271 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.06 105.85 2.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.8 mt -88.4 85.78 6.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.336 0.589 . . . . 0.0 110.046 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.22 99.97 3.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.57 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -155.46 101.72 2.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.004 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -110.3 138.34 38.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.32 103.58 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.934 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 p -133.19 158.6 42.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -137.55 102.33 4.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 110.14 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.23 152.89 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.812 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -66.49 169.39 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.521 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.07 94.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.564 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.77 82.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.09 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -146.58 179.62 7.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.538 HD12 HG23 ' A' ' 70' ' ' VAL . 12.3 mm -85.34 146.35 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.073 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -128.6 164.01 23.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.597 0.237 . . . . 0.0 110.774 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.9 140.15 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.725 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 62.3 mttp -71.92 -25.77 62.03 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.2 m -65.36 -50.04 67.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.855 0.36 . . . . 0.0 110.355 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.95 -40.26 87.49 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.54 ' HB3' ' HA ' ' A' ' 27' ' ' LYS . 62.5 t80 -54.33 -47.3 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.338 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.75 -33.3 75.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.996 0.427 . . . . 0.0 111.157 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -29.47 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.002 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.6 m -86.44 -19.28 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.829 177.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.43 -26.08 52.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.328 0.585 . . . . 0.0 110.344 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -59.62 -42.39 92.56 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.252 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.478 ' C ' ' HD2' ' A' ' 91' ' ' LYS . 5.2 mt-10 -120.47 37.82 4.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.983 0.897 . . . . 0.0 110.886 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.11 -176.46 3.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.15 173.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.3 m -136.51 135.36 38.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.116 0.484 . . . . 0.0 112.038 -174.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.2 122.22 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.393 172.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.507 HG13 HG13 ' A' ' 87' ' ' ILE . 15.7 pt -116.01 5.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 0.0 111.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.27 175.05 18.3 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.376 172.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 m -105.57 151.63 24.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.8 pt -124.5 164.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.533 ' HB3' HG23 ' A' ' 84' ' ' THR . 10.3 p -142.07 179.83 6.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.825 0.345 . . . . 0.0 111.508 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.434 HG22 ' HB2' ' A' ' 54' ' ' ALA . 3.0 p -126.8 131.4 51.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.641 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -124.28 162.15 24.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.944 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.7 -25.29 21.97 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.375 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 29.3 mt-10 62.69 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.46 0.648 . . . . 0.0 111.618 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.6 mtm -119.19 -177.6 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.797 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 m -59.74 146.49 80.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.51 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -58.85 -40.92 67.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.606 2.204 . . . . 0.0 112.864 -172.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.626 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.2 tt -67.26 -41.71 85.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -42.38 98.94 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.05 0.452 . . . . 0.0 110.302 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.462 ' CB ' HD13 ' A' ' 81' ' ' ILE . . . -65.99 -34.85 79.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.848 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.626 HH21 ' HG ' ' A' ' 52' ' ' LEU . 23.5 mtm180 -60.15 -49.28 78.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.009 175.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 60.5 mt-10 -62.02 -34.07 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.715 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 25.1 t70 -65.74 -45.55 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.22 -51.12 67.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.852 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -49.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.186 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.405 ' HD2' ' HA ' ' A' ' 60' ' ' LYS . 29.8 mmmt -73.19 -32.16 64.65 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.715 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.8 ttpt -67.42 -43.38 81.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 109.997 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB3' ' HB2' ' A' ' 67' ' ' ALA . . . -60.35 -50.68 72.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.168 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.03 -43.12 81.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.165 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.66 -27.74 69.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.649 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -94.33 5.31 52.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.128 0.49 . . . . 0.0 110.071 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.438 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 90.53 11.91 61.74 Favored Glycine 0 C--O 1.225 -0.464 0 CA-C-N 115.716 -0.675 . . . . 0.0 114.043 171.224 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.608 ' HB3' HD12 ' A' ' 87' ' ' ILE . . . -67.3 146.73 53.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.444 0.622 . . . . 0.0 111.927 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.455 ' OD1' ' HD2' ' A' ' 89' ' ' LYS . 2.1 m-20 -104.38 -43.92 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.2 t -119.87 137.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.072 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.635 HG12 HG21 ' A' ' 87' ' ' ILE . 35.2 m -116.46 144.52 23.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -134.79 125.03 45.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.744 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.69 94.68 9.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.058 0.456 . . . . 0.0 110.107 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 p -85.23 -30.55 23.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.231 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -84.75 -150.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.931 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.42 -151.78 8.46 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.7 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.597 ' HG3' HG21 ' A' ' 81' ' ' ILE . 34.7 tt0 -178.35 105.68 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.464 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 20.9 m -62.28 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.51 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 27.2 tt0 173.56 -83.93 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.107 0 O-C-N 123.289 0.368 . . . . 0.0 110.728 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -65.02 -32.94 74.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 45.8 pttt -138.13 139.16 39.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.597 HG21 ' HG3' ' A' ' 76' ' ' GLN . 28.6 pt -152.49 151.36 11.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -123.07 33.15 5.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.815 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.71 152.6 30.9 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.606 -173.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 44' ' ' SER . 73.1 p -123.09 135.43 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.52 133.21 56.05 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -101.08 127.82 47.44 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.635 HG21 HG12 ' A' ' 70' ' ' VAL . 22.6 pt -115.33 152.67 16.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.624 0.726 . . . . 0.0 112.366 -169.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -126.25 149.54 49.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.337 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.498 ' HB2' HD12 ' A' ' 40' ' ' ILE . 38.2 tptt -115.97 140.64 49.05 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.983 -176.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.409 ' O ' ' HE3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -71.71 134.11 46.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.409 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.49 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 76.8 mttt -79.56 172.94 13.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.613 0.72 . . . . 0.0 110.849 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -101.73 3.58 39.74 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 172.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.49 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 25.3 tt0 -85.09 81.16 8.99 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.914 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -177.79 171.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.625 -1.171 . . . . 0.0 108.945 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -96.41 133.47 40.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.826 0.346 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -56.24 132.9 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.277 -176.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -74.45 137.4 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.97 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.532 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 39.8 p-80 -55.27 117.88 3.91 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.532 ' HB2' ' O ' ' A' ' 98' ' ' HIS . 64.0 t60 . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.239 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 62.28 84.64 0.14 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.728 0.643 . . . . 0.0 111.159 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -169.76 10.38 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.64 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.19 62.3 4.58 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.018 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -109.31 130.5 55.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.407 ' N ' ' HD3' ' A' ' 6' ' ' LYS . 3.4 mppt? -118.69 129.4 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.813 179.042 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.73 131.05 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.03 0.443 . . . . 0.0 110.945 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.6 ttp -161.39 150.58 16.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.604 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.635 ' HG ' ' H ' ' A' ' 10' ' ' GLY . 1.1 pt? -133.9 -59.13 0.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.56 0.219 . . . . 0.0 110.757 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.635 ' H ' ' HG ' ' A' ' 9' ' ' LEU . . . 98.2 -160.06 20.66 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.108 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.46 148.13 32.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 pp -148.31 148.17 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.812 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.66 101.63 0.58 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.095 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -119.93 94.99 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.643 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -177.67 129.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.482 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.8 -43.21 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.735 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m 56.69 77.12 0.27 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.682 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -94.63 137.83 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -123.93 136.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.967 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -159.49 134.07 7.84 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.77 56.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.619 ' HB3' HG11 ' A' ' 70' ' ' VAL . . . -61.36 127.99 34.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.991 177.506 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -132.66 157.98 43.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.147 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.675 HD12 HG22 ' A' ' 70' ' ' VAL . 25.8 mm -85.24 144.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.1 mmm -128.35 155.53 44.52 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -71.78 154.46 41.29 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.543 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -51.83 -52.78 46.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.541 0.525 . . . . 0.0 112.162 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.401 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 55.4 m -63.98 -50.47 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 111.022 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -69.77 -35.42 74.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.557 ' HA ' HG23 ' A' ' 33' ' ' VAL . 74.4 t80 -63.5 -41.82 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.261 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.39 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 0.0 110.864 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.401 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.3 mptt -81.14 -39.47 25.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.557 HG23 ' HA ' ' A' ' 30' ' ' PHE . 32.2 m -84.55 -9.97 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.555 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.8 68.39 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.502 0.668 . . . . 0.0 109.852 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -76.85 -28.4 55.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.629 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -93.85 -1.73 54.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.209 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.98 -178.71 3.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m -143.99 125.66 15.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.9 ttpt -79.3 128.6 33.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 0.0 111.042 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.08 -14.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.82 162.74 10.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.856 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.89 148.64 27.37 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.505 HD11 ' HB1' ' A' ' 62' ' ' ALA . 28.6 pt -116.54 164.34 12.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.537 ' HB3' HG21 ' A' ' 84' ' ' THR . 3.7 p -153.03 173.21 15.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.924 0.393 . . . . 0.0 111.453 -177.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.684 HG21 HD23 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -135.5 138.72 43.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.21 177.476 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.9 m -144.49 98.47 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.458 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.43 -137.38 3.26 Favored Glycine 0 N--CA 1.435 -1.411 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.893 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -156.05 95.97 1.67 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.677 0.751 . . . . 0.0 111.666 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.495 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 88.6 mmm -132.67 177.95 7.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.609 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.51 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 15.0 m -65.46 143.7 98.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.09 -47.36 20.57 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.478 2.119 . . . . 0.0 113.519 -174.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tt -75.26 -37.59 60.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.51 ' HB3' ' HB2' ' A' ' 50' ' ' SER . 37.1 t70 -67.34 -39.66 85.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.982 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB2' ' HB2' ' A' ' 49' ' ' MET . . . -71.45 -33.46 69.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.647 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.412 HH11 ' HD2' ' A' ' 55' ' ' ARG . 37.3 mtm180 -65.92 -48.74 70.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -60.67 -35.12 75.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.624 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 29.8 t70 -63.31 -43.34 98.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.972 0.415 . . . . 0.0 109.96 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.684 HD23 HG21 ' A' ' 45' ' ' THR . 23.1 mt -64.43 -52.31 58.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.3 mt -60.78 -48.35 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.3 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -69.39 -33.88 73.69 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.762 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.624 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -69.8 -44.19 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.763 0.315 . . . . 0.0 110.866 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.554 ' HB2' HG22 ' A' ' 87' ' ' ILE . . . -60.82 -42.27 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 0.0 110.222 172.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -58.62 -42.34 87.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.057 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.06 -37.14 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.76 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -67.16 -25.67 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.3 56.27 0.46 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.676 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -106.88 143.63 34.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -97.29 -40.86 8.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.413 0.625 . . . . 0.0 109.688 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.77 137.24 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.39 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.675 HG22 HD12 ' A' ' 24' ' ' ILE . 19.2 m -127.63 144.46 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.309 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.9 t -131.56 124.05 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.236 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.34 105.37 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.691 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -0.7 55.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.255 0.55 . . . . 0.0 111.07 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -61.39 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.637 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.02 76.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.158 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -127.16 -87.85 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.883 0.373 . . . . 0.0 110.736 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t 177.28 122.96 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -24.25 -63.53 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -56.05 -34.48 65.94 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -168.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -134.01 45.38 2.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.8 pt -49.14 117.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.821 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.597 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.0 t-160 -125.78 61.86 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.377 -1.283 . . . . 0.0 107.643 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.9 169.68 21.21 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.537 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.537 HG21 ' HB3' ' A' ' 44' ' ' SER . 17.3 p -125.28 163.61 22.14 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.544 0.338 . . . . 0.0 110.207 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.458 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -143.45 132.67 23.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 171.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.07 119.9 40.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.182 0.515 . . . . 0.0 109.954 -173.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.654 HG21 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -116.88 153.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.145 -171.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.94 148.87 48.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.762 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -107.19 153.02 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.674 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -73.63 145.96 44.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -83.65 -168.15 2.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.309 0.576 . . . . 0.0 110.85 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 pp -110.42 6.8 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -100.79 122.13 42.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.724 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -84.36 112.52 20.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.112 0.482 . . . . 0.0 110.212 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -86.58 25.27 1.27 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.074 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.6 t60 64.63 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.399 0.619 . . . . 0.0 111.699 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.477 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 11.2 t-80 -129.95 -77.65 0.54 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.477 ' HB2' ' O ' ' A' ' 97' ' ' HIS . 2.4 t60 167.53 -60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.109 169.121 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -133.28 126.15 30.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 p -131.41 170.61 14.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.548 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.69 23.45 10.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.06 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -142.43 111.6 6.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.272 0.558 . . . . 0.0 111.307 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -171.91 90.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.443 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.99 152.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 111.378 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.9 ttp -134.52 104.81 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.8 tp -113.13 105.81 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.175 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 94.09 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.661 177.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.57 99.32 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.74 0.305 . . . . 0.0 110.437 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.5 mt -139.83 114.95 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.443 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.8 113.56 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.962 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -121.35 114.69 21.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.712 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -110.28 139.38 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.9 164.43 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.84 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -122.03 -75.86 0.59 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.542 0.21 . . . . 0.0 110.883 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 62.54 31.92 16.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.01 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.94 126.12 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.046 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -139.49 139.7 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.591 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.65 110.5 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.92 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -112.06 164.05 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.529 . . . . 0.0 111.51 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mm -95.64 139.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.665 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mmt -135.27 156.45 48.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 111.067 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.77 -174.76 4.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.867 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.54 ' O ' ' HD3' ' A' ' 27' ' ' LYS . 9.1 tmtt? -82.44 -34.24 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.4 p -66.15 -49.72 66.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.964 175.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.88 -38.84 89.81 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.036 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.483 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 t80 -56.49 -46.94 80.21 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.874 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.24 -32.23 72.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.306 0.575 . . . . 0.0 110.737 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -83.77 -30.12 26.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.811 -177.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.483 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.2 m -88.14 -24.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.553 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.607 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.78 -22.04 63.69 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 0.0 110.982 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -56.28 -32.0 64.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.641 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.34 18.96 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.607 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.7 m-85 -127.39 168.59 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.407 ' OG1' ' HG2' ' A' ' 91' ' ' LYS . 92.0 m -145.82 131.07 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.051 -177.395 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -75.93 112.09 11.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -91.31 -16.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.687 0.279 . . . . 0.0 111.511 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.11 -179.18 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -106.95 153.73 22.12 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.422 HG13 HD21 ' A' ' 58' ' ' LEU . 28.1 pt -129.14 163.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 t -152.26 175.09 13.0 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.683 HG21 ' HB2' ' A' ' 54' ' ' ALA . 6.3 p -102.27 140.2 36.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.5 m -122.43 108.04 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.262 0.553 . . . . 0.0 110.581 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.56 -111.78 0.79 Allowed Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 179.99 101.77 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.811 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.5 mmt -132.52 164.25 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.762 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.62 154.33 93.47 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.469 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.638 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.9 Cg_endo -47.39 -55.41 3.97 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.595 2.864 . . . . 0.0 114.022 -172.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.491 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 mp -68.03 -32.18 72.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.617 0.246 . . . . 0.0 111.248 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.25 -39.19 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.108 0.48 . . . . 0.0 109.941 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.683 ' HB2' HG21 ' A' ' 45' ' ' THR . . . -65.13 -32.21 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.19 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 98.0 mtt180 -61.82 -47.51 84.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.692 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 40.8 mm-40 -57.13 -40.39 77.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.051 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.595 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.3 t70 -62.79 -43.69 98.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.474 0.654 . . . . 0.0 109.728 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.422 HD21 HG13 ' A' ' 43' ' ' ILE . 91.6 mt -64.22 -49.93 70.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.53 -46.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.252 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -72.99 -34.88 66.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.427 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.1 ttpt -67.39 -41.61 84.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.683 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.12 -37.9 86.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.404 173.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.44 -42.69 96.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.704 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.42 -38.09 79.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -79.56 -23.36 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.25 44.21 3.06 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.772 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.97 33.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.601 ' HB3' ' HH ' ' A' ' 37' ' ' TYR . 3.3 m-20 -84.1 -44.05 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.494 0.664 . . . . 0.0 110.189 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.25 140.07 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.997 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.607 HG12 HG21 ' A' ' 87' ' ' ILE . 33.3 m -123.24 143.15 37.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.0 t -122.16 109.26 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -77.33 84.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.193 0.521 . . . . 0.0 110.536 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -75.38 -39.55 59.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.83 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.862 ' HA ' ' H ' ' A' ' 84' ' ' THR . 46.1 m 57.73 -164.64 0.17 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.505 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.43 -103.62 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.912 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -131.96 -3.31 3.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.8 t 178.52 127.09 0.06 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.534 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.43 2.55 0.4 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.625 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -48.57 -50.99 29.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.827 0.451 . . . . 0.0 111.229 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -106.09 11.72 31.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.409 ' CG2' ' H ' ' A' ' 82' ' ' HIS . 4.7 mt 61.78 -135.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.695 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.409 ' H ' ' CG2' ' A' ' 81' ' ' ILE . 36.4 t-80 66.67 91.4 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.922 0.889 . . . . 0.0 109.485 -171.278 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.67 134.96 12.52 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.656 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.862 ' H ' ' HA ' ' A' ' 74' ' ' SER . 1.6 m -128.91 154.81 46.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.98 133.56 17.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 111.576 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.16 120.48 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.607 HG21 HG12 ' A' ' 70' ' ' VAL . 28.6 pt -111.55 153.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.211 0.529 . . . . 0.0 111.945 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -137.51 141.89 41.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.265 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -110.73 162.33 14.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.458 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -77.02 144.6 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.407 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 34.0 mtpt -86.16 -172.14 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.686 0.755 . . . . 0.0 111.699 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.451 ' HG ' ' OE2' ' A' ' 93' ' ' GLU . 0.6 OUTLIER -95.34 -20.1 19.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.057 175.098 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.451 ' OE2' ' HG ' ' A' ' 92' ' ' LEU . 14.2 mp0 -89.98 106.04 18.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.726 169.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -139.17 125.63 20.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -95.44 -7.06 39.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.181 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 61.65 89.35 0.08 Allowed 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.954 0.784 . . . . 0.0 110.352 176.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -63.49 111.48 2.35 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.651 0.739 . . . . 0.0 111.97 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -97.3 80.41 2.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.415 -174.774 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -64.21 111.64 2.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 111.501 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -163.92 141.06 6.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.591 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 105.18 0.25 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.866 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -114.52 152.17 32.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.887 0.375 . . . . 0.0 110.114 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -152.37 108.39 3.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.263 0.554 . . . . 0.0 110.808 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.81 86.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 110.62 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.6 mtp -136.41 86.25 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.937 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.73 -174.94 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.447 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.19 7.72 42.89 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.261 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.57 108.7 16.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.003 0.43 . . . . 0.0 110.545 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.15 125.06 51.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.974 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.53 89.42 7.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.281 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -87.94 -16.64 33.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.268 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.31 141.54 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.168 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -129.49 142.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -111.65 125.84 54.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.537 . . . . 0.0 111.001 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -85.89 118.34 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.876 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -146.55 118.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.201 0.525 . . . . 0.0 111.114 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -126.67 142.72 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.935 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.85 -65.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.231 -0.188 . . . . 0.0 111.343 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.59 90.13 0.05 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.918 0.761 . . . . 0.0 111.438 -176.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -129.18 161.84 29.19 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.67 HD12 HG21 ' A' ' 70' ' ' VAL . 39.6 mm -83.5 143.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.441 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.833 ' HE3' ' HB3' ' A' ' 29' ' ' ASP . 6.4 tpt -122.75 137.01 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 178.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.68 147.49 32.65 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 173.268 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.89 -45.62 74.7 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -66.77 -38.56 86.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.833 ' HB3' ' HE3' ' A' ' 25' ' ' MET . 2.6 m-20 -73.15 -41.03 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HA ' HG21 ' A' ' 33' ' ' VAL . 45.3 t80 -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.3 -32.75 71.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 0.0 111.133 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -83.36 -32.45 26.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.524 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.6 HG11 ' HE1' ' A' ' 25' ' ' MET . 32.7 m -85.14 -14.23 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.852 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.56 -27.13 64.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.275 0.56 . . . . 0.0 110.22 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -66.13 -37.66 86.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.429 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -102.25 18.66 20.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.33 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.597 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 15.2 m-85 -132.63 167.53 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 111.585 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.6 m -130.13 152.77 49.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.202 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -93.13 122.71 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.249 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.401 HD11 ' HB2' ' A' ' 89' ' ' LYS . 12.2 pt -111.22 -2.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.922 0.392 . . . . 0.0 110.806 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.1 170.04 13.04 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.731 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.423 HG22 ' HA ' ' A' ' 86' ' ' ASP . 4.0 m -105.24 151.42 24.12 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.11 164.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.484 ' HB3' HG23 ' A' ' 84' ' ' THR . 3.2 p -158.3 175.75 13.34 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.981 0.42 . . . . 0.0 111.677 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -161.28 162.92 31.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.88 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 m -151.01 144.23 24.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.157 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.52 -122.34 1.09 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.528 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -155.97 40.34 0.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.694 0.759 . . . . 0.0 109.277 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 mmt -88.35 -168.92 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.943 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -99.38 149.21 35.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.4 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.496 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -53.6 -46.4 34.04 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.912 2.408 . . . . 0.0 113.343 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.486 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.6 mp -75.28 -34.14 61.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.914 0.388 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.98 -46.14 82.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.09 71.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.677 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.496 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 37.5 mtm180 -64.49 -48.04 76.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.097 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -62.21 -35.25 78.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.13 -45.61 84.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.84 -49.68 50.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.92 -41.45 90.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.266 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.0 mmtm -73.58 -29.59 62.51 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 mtpp -75.13 -39.27 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.392 0.615 . . . . 0.0 111.464 177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.55 -44.79 81.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.252 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.15 -34.88 79.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.273 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 22.7 mt-10 -64.74 -22.1 66.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.141 174.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -87.77 -12.52 44.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.55 9.36 58.94 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.727 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.534 ' HB3' HD13 ' A' ' 87' ' ' ILE . . . -61.53 146.5 48.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.404 0.621 . . . . 0.0 111.951 -176.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.511 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 3.3 m-20 -99.32 -45.34 5.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.197 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -122.7 138.72 51.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.913 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.67 HG21 HD12 ' A' ' 24' ' ' ILE . 34.9 m -122.14 143.03 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.826 0.346 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.38 104.99 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.4 96.17 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.441 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -72.91 -43.41 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.509 ' HA ' ' H ' ' A' ' 84' ' ' THR . 86.7 p 54.24 -171.78 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.552 -1.204 . . . . 0.0 113.794 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.92 106.88 0.66 Allowed Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -79.79 88.32 5.24 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.114 0.959 . . . . 0.0 109.873 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.514 HG21 ' HG3' ' A' ' 80' ' ' LYS . 8.7 m -135.2 -95.5 0.26 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.811 -1.541 . . . . 0.0 110.623 168.517 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -179.65 -70.55 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.79 -51.01 3.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 111.109 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.514 ' HG3' HG21 ' A' ' 77' ' ' THR . 19.9 ptmt -77.83 45.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.493 0.664 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.97 125.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.691 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -96.66 95.55 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.34 142.28 38.81 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.509 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -146.55 141.63 27.18 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.776 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.17 14.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.765 0.317 . . . . 0.0 110.526 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HA ' HG22 ' A' ' 42' ' ' THR . 36.8 t70 -103.1 121.27 42.26 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.615 HG21 HG11 ' A' ' 70' ' ' VAL . 23.7 pt -114.95 153.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.52 0.676 . . . . 0.0 112.373 -167.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -130.75 152.62 49.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.738 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.511 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 46.5 tptt -119.49 142.17 48.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.473 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -65.85 141.16 58.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.629 0.252 . . . . 0.0 110.587 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.597 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.3 mttt -77.74 178.76 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.449 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.488 ' O ' ' HD2' ' A' ' 94' ' ' HIS . 77.2 mt -79.57 -4.76 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.166 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.64 79.86 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.288 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.488 ' HD2' ' O ' ' A' ' 92' ' ' LEU . 3.1 p80 -114.12 91.26 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.527 0.679 . . . . 0.0 109.743 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -113.42 118.21 33.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.286 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 68.52 177.46 0.26 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.927 0.767 . . . . 0.0 109.739 -175.497 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -150.79 39.29 0.7 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 25.9 m170 64.06 -91.94 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.398 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.665 -0.683 . . . . 0.0 109.305 175.149 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -103.09 3.48 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 0.0 111.317 -173.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 m -72.47 115.63 11.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.853 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.8 136.08 4.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.067 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -163.07 158.53 22.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.523 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -130.06 143.54 50.85 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -113.97 110.21 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.652 0.739 . . . . 0.0 111.133 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.25 22.52 13.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.026 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.89 108.43 0.66 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.95 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.45 155.38 26.41 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.53 143.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.542 0.337 . . . . 0.0 110.374 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' HD11 ' A' ' 12' ' ' LEU . 3.5 pp -149.96 140.78 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.499 . . . . 0.0 111.127 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.4 98.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -129.97 121.05 25.8 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 t 50.2 86.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.244 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.47 139.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 t -154.16 109.84 3.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.969 0.89 . . . . 0.0 110.607 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -102.91 75.99 1.44 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.224 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.334 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -65.98 -57.18 8.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 66.63 -176.53 0.19 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.667 172.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' H ' ' HA ' ' A' ' 68' ' ' ASP . . . 55.17 59.52 3.94 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.538 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -104.97 161.11 14.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.712 HD11 HG22 ' A' ' 70' ' ' VAL . 26.3 mm -92.63 133.21 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 175.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.409 ' SD ' HG12 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -113.86 136.02 53.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -69.37 158.6 34.76 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.596 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -62.66 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -63.83 -38.07 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.41 . . . . 0.0 110.712 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.41 -32.82 54.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.743 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' HG23 ' A' ' 33' ' ' VAL . 84.9 t80 -59.87 -49.66 76.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.522 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.67 -31.08 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 0.0 110.588 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -80.45 -37.78 31.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.711 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 33.0 m -85.21 -11.8 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.334 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.21 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.571 0.7 . . . . 0.0 110.035 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.5 t -87.51 -12.27 46.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.53 0.39 8.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.673 -175.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.576 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 77.1 m-85 -130.68 162.08 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.4 m -131.92 129.95 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 111.745 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.446 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 39.4 ttmt -72.63 129.76 39.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.354 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.483 HD13 ' HE3' ' A' ' 65' ' ' LYS . 21.4 pt -103.33 -4.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.0 110.886 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.41 174.88 15.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -105.4 151.46 24.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG13 HD21 ' A' ' 58' ' ' LEU . 17.5 pt -126.53 165.01 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.574 ' HB3' HG22 ' A' ' 84' ' ' THR . 2.7 p -156.79 171.41 20.44 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.0 111.927 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -155.31 150.76 27.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.044 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -175.0 144.72 0.77 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.983 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.82 -97.34 0.17 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.11 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.08 88.4 1.02 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.6 mtt -145.58 -173.23 4.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.588 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -94.52 153.43 40.32 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.86 -32.0 90.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.118 1.879 . . . . 0.0 111.906 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.0 mt -71.02 -41.45 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -62.97 -39.61 95.21 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 109.907 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.66 ' HB1' HD11 ' A' ' 81' ' ' ILE . . . -64.16 -42.47 96.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.546 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.2 -46.89 84.93 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.228 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.46 -36.65 78.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.608 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.721 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.6 t70 -62.38 -45.93 90.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.527 HD21 HG13 ' A' ' 43' ' ' ILE . 87.6 mt -62.91 -52.54 62.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.088 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.5 mt -62.12 -45.35 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.375 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.637 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 48.1 mtpt -73.4 -35.53 65.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.106 -177.591 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.721 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.4 ttpt -66.39 -39.53 89.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.29 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.54 -35.35 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.688 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.637 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 16.7 mm-40 -56.3 -36.74 69.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.531 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.483 ' HE3' HD13 ' A' ' 40' ' ' ILE . 32.5 ttpt -91.81 -26.21 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 110.25 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.35 60.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . . . -91.04 164.3 14.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.755 0.312 . . . . 0.0 110.293 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.433 ' HA ' ' H ' ' A' ' 22' ' ' ALA . 11.3 m-20 -115.79 -30.98 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.443 0.639 . . . . 0.0 110.026 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.536 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 92.5 t -125.12 137.92 56.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.961 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.712 HG22 HD11 ' A' ' 24' ' ' ILE . 28.7 m -130.07 142.38 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.917 0.389 . . . . 0.0 110.157 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.52 106.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.83 88.4 1.33 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -61.13 -44.68 96.96 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.151 -178.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m 67.56 177.88 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.159 0.912 . . . . 0.0 111.829 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.23 152.27 24.35 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 64.91 3.13 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.893 0.854 . . . . 0.0 109.636 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.623 ' OG1' ' HB2' ' A' ' 82' ' ' HIS . 2.7 m -129.47 -71.89 0.61 Allowed 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.455 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 70.24 -50.13 0.65 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.804 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -48.78 -70.28 0.09 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.856 0.462 . . . . 0.0 111.909 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 80' ' ' LYS . 15.6 ptpt -106.07 5.47 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 109.633 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.66 HD11 ' HB1' ' A' ' 54' ' ' ALA . 6.0 mt 63.66 148.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 113.871 -1.513 . . . . 0.0 112.826 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.623 ' HB2' ' OG1' ' A' ' 77' ' ' THR . 1.4 m-70 -156.46 28.92 0.34 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.816 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.523 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -76.0 139.55 24.45 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.294 -169.01 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.574 HG22 ' HB3' ' A' ' 44' ' ' SER . 62.0 p -116.82 166.84 11.69 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.112 -0.544 . . . . 0.0 109.878 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.484 ' HB3' HD13 ' A' ' 58' ' ' LEU . . . -150.71 133.85 16.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.19 123.27 46.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.599 HG22 HG13 ' A' ' 70' ' ' VAL . 24.3 pt -115.12 152.25 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 0.0 111.792 -173.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.536 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 45.8 m-85 -137.37 155.18 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.792 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.425 ' HG2' ' HA ' ' A' ' 67' ' ' ALA . 20.2 mtpp -116.34 159.12 22.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.479 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 82.9 tttt -82.95 136.72 34.45 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.652 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -98.09 -164.03 1.1 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -117.13 18.22 14.62 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -124.49 119.4 29.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.769 -172.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -141.35 179.2 6.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -74.42 -175.67 2.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.689 171.146 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -74.46 -33.6 62.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -73.84 112.6 10.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.998 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -105.17 67.89 0.8 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.509 174.392 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.518 0.199 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -92.38 75.52 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.773 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 m -154.05 116.14 4.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.146 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.67 68.19 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.628 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -113.02 107.77 16.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.575 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -119.52 115.0 23.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.829 0.823 . . . . 0.0 111.052 177.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.9 p -169.93 100.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.324 176.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.62 -4.76 12.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.252 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.8 mt -131.63 142.23 49.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.245 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.78 -42.18 1.96 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.73 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.99 -176.19 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.821 -0.223 . . . . 0.0 110.918 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? 69.66 103.54 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.996 0.81 . . . . 0.0 111.241 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 -50.91 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 174.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.428 ' CE2' HG23 ' A' ' 16' ' ' VAL . 12.5 p90 -161.94 139.67 8.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.862 173.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.53 HG21 ' H ' ' A' ' 97' ' ' HIS . 34.5 t -70.96 96.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.031 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.55 HG13 ' HE2' ' A' ' 90' ' ' LYS . 22.0 t -78.53 104.34 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.457 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.412 ' O ' ' HB2' ' A' ' 18' ' ' ASN . 32.9 m -90.15 74.97 7.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.416 0.627 . . . . 0.0 109.834 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.412 ' HB2' ' O ' ' A' ' 17' ' ' THR . 36.0 t-20 176.01 142.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.553 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -72.79 -16.67 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.818 ' HB3' ' HB2' ' A' ' 68' ' ' ASP . 4.5 t80 73.02 115.48 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.499 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 152.66 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.29 118.05 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.945 0.778 . . . . 0.0 112.276 -174.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -139.52 154.38 47.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.659 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mm -92.23 125.48 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.71 0.291 . . . . 0.0 110.242 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.808 ' HA ' ' HE2' ' A' ' 25' ' ' MET . 12.6 mmt -99.46 156.12 17.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.673 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -66.21 156.98 32.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -64.12 -33.3 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.045 0.45 . . . . 0.0 110.686 -176.348 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 p -75.67 -51.0 13.75 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.814 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.461 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.9 m-20 -56.96 -39.02 73.8 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.276 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.452 ' HA ' HG23 ' A' ' 33' ' ' VAL . 51.4 t80 -56.32 -44.8 80.3 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.269 0.355 . . . . 0.0 110.999 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.21 -31.54 72.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.751 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.01 -32.83 26.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.7 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 29' ' ' ASP . 34.7 m -85.71 -21.33 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.989 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.43 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.63 -24.77 58.24 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.22 0.533 . . . . 0.0 110.933 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -56.81 -41.67 78.19 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.631 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.14 26.71 5.64 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.888 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.443 ' HH ' ' CG2' ' A' ' 69' ' ' VAL . 5.1 m-30 -121.49 169.75 10.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -170.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -147.89 130.82 16.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.302 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.15 123.19 33.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.898 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 pt -95.8 -4.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.845 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.98 165.17 10.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.368 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -106.9 155.44 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 ' CG1' ' HB1' ' A' ' 85' ' ' ALA . 13.5 pt -125.99 163.29 27.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 2.2 p -161.24 168.65 23.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.417 ' OG1' ' HA3' ' A' ' 83' ' ' GLY . 9.1 p -145.9 142.79 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.945 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 m -153.73 128.41 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.222 -0.299 . . . . 0.0 110.67 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.2 -112.22 0.7 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.842 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.94 116.89 13.23 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.443 ' HB2' HD12 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -143.02 174.29 10.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.867 -176.55 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.654 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 15.5 m -99.17 143.98 27.4 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.33 -53.66 5.0 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.434 2.089 . . . . 0.0 113.416 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.547 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 7.8 mp -75.05 -31.73 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.547 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.654 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 7.8 m-20 -70.47 -34.73 72.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.65 75.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.061 0.457 . . . . 0.0 110.086 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.595 ' HD2' ' OE1' ' A' ' 76' ' ' GLN . 22.1 mtp180 -60.49 -42.48 96.41 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.87 -43.92 81.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.9 t70 -65.24 -41.55 94.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.423 0.63 . . . . 0.0 110.114 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.415 HD23 HG21 ' A' ' 45' ' ' THR . 73.8 mt -70.07 -51.16 34.1 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.288 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.51 -40.72 80.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.477 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.1 mmtm -70.18 -35.53 74.03 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.54 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.663 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.7 ttpt -71.74 -40.83 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.481 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.14 82.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.715 171.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -61.75 -43.05 99.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.394 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 25.6 mt-10 -61.81 -41.78 98.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.572 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -75.28 -25.92 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.061 0.458 . . . . 0.0 110.268 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.52 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.7 88.43 1.62 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.6 175.595 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.494 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . . . -128.49 149.37 50.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.818 ' HB2' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -93.17 -39.01 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 109.477 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' HH ' ' A' ' 37' ' ' TYR . 43.1 t -126.49 141.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.194 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.432 HG13 HG23 ' A' ' 87' ' ' ILE . 48.6 t -119.51 142.79 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.443 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.12 113.41 37.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.02 94.97 8.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.857 0.36 . . . . 0.0 110.635 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.45 1.53 55.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.367 0.603 . . . . 0.0 111.712 177.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -54.63 144.27 22.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.082 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.02 87.59 1.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.023 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.595 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 22.8 tt0 -83.06 79.11 9.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.835 0.826 . . . . 0.0 111.334 -170.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.556 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 11.8 m -68.03 -78.62 0.06 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.583 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.81 -83.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.869 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.31 -49.2 8.97 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.172 0.51 . . . . 0.0 109.721 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.556 ' O ' ' HB ' ' A' ' 77' ' ' THR . 55.9 pttt -94.39 131.29 40.21 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.443 HD12 ' HB2' ' A' ' 49' ' ' MET . 12.7 pt -153.44 135.2 5.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.328 -173.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.11 86.43 4.59 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 166.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.417 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . -83.31 142.69 21.41 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.497 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.408 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 2.2 m -155.26 151.14 27.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.4 ' HB1' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 132.54 10.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.8 116.66 32.35 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.432 HG23 HG13 ' A' ' 70' ' ' VAL . 24.6 pt -105.34 152.65 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.24 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -136.71 160.74 37.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.619 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.52 ' HD3' ' O ' ' A' ' 66' ' ' GLY . 8.4 mmmm -128.62 158.79 37.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.424 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.55 ' HE2' HG13 ' A' ' 16' ' ' VAL . 13.7 mptt -64.1 150.87 44.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.907 0.384 . . . . 0.0 110.032 170.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -74.76 175.24 8.15 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.985 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -84.15 -22.79 30.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.667 0.746 . . . . 0.0 109.63 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.21 111.98 19.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.283 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -115.49 -38.24 3.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 52.47 84.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.259 0.974 . . . . 0.0 111.325 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -64.59 109.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.33 0.586 . . . . 0.0 110.98 -174.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.53 ' H ' HG21 ' A' ' 15' ' ' VAL . 53.3 t-80 -83.9 116.7 22.9 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.268 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -119.04 160.16 22.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.535 177.109 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.48 104.68 2.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.862 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 m -105.39 105.47 15.52 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.981 0.419 . . . . 0.0 110.113 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 20.14 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.833 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.92 97.91 0.52 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -107.96 119.12 38.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.345 -172.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.07 119.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.352 0.596 . . . . 0.0 110.692 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.435 ' O ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -129.25 95.19 3.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.497 0.665 . . . . 0.0 110.531 178.041 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.12 156.42 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.393 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.99 98.67 0.15 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.501 -0.639 . . . . 0.0 111.501 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.31 108.71 4.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 110.52 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 pp -157.8 131.3 7.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.406 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 81.53 1.31 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.041 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.32 106.35 8.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.362 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.64 94.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.02 106.6 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.572 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m -148.6 91.18 1.86 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -76.33 -48.3 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.712 -173.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.498 HG12 ' NZ ' ' A' ' 90' ' ' LYS . 5.3 p -127.52 134.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.772 0.32 . . . . 0.0 110.456 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.436 ' OH ' ' HA2' ' A' ' 66' ' ' GLY . 83.6 t80 -130.76 98.69 4.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.577 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.12 121.02 4.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.864 -175.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.599 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -63.39 100.4 0.25 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.581 0.551 . . . . 0.0 110.967 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.479 ' HB3' HG23 ' A' ' 69' ' ' VAL . 3.8 tp10 -93.2 153.77 18.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.338 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.46 154.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.693 ' HE1' ' HB3' ' A' ' 99' ' ' HIS . 22.1 mmt -130.54 144.36 51.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 112.598 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -82.09 152.32 26.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 163.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -57.71 -39.23 76.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.569 0.622 . . . . 0.0 111.27 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -60.16 -46.6 89.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -68.81 -39.87 79.84 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HA ' HG22 ' A' ' 33' ' ' VAL . 39.0 t80 -55.5 -46.52 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.025 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.09 -32.06 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 0.0 110.726 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.13 -42.38 47.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG23 ' HE2' ' A' ' 25' ' ' MET . 24.3 m -80.58 -12.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.032 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -20.03 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 109.934 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 t -89.04 -16.4 31.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.502 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -113.31 7.4 17.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.518 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' A' ' 33' ' ' VAL . 10.7 m-85 -132.38 -179.7 5.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.39 -176.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -142.6 128.96 20.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.746 0.307 . . . . 0.0 111.237 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -64.31 130.51 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.024 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.92 -6.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.693 0.282 . . . . 0.0 111.329 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.15 168.26 11.58 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -106.3 152.58 23.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.9 pt -125.6 163.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.445 ' HB3' HG23 ' A' ' 84' ' ' THR . 2.3 p -157.09 160.56 38.99 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.321 0.581 . . . . 0.0 111.581 177.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.467 HG23 ' HG ' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -113.2 130.5 56.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.954 175.084 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 m -153.04 118.24 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.753 0.311 . . . . 0.0 110.308 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.81 -119.29 0.87 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -134.96 99.02 4.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.296 0.238 . . . . 0.0 110.602 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.477 ' HB2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmt -150.94 -178.47 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 144.36 27.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -55.85 -52.01 8.39 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.051 2.501 . . . . 0.0 113.432 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.78 -37.1 85.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.08 -34.58 73.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.26 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.448 ' HB2' HG22 ' A' ' 45' ' ' THR . . . -65.85 -38.62 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.323 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.25 -53.12 61.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.8 -43.19 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.898 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.538 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.0 t70 -68.48 -36.95 79.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.397 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.467 ' HG ' HG23 ' A' ' 45' ' ' THR . 23.6 mt -66.11 -50.79 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.3 mt -62.98 -36.76 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.1 ttmm -68.74 -49.41 59.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.533 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.538 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 7.3 ttpt -67.48 -36.41 81.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.164 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.77 -47.83 76.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 170.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.29 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.225 0.536 . . . . 0.0 109.918 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 56.6 mt-10 -68.49 -38.27 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.879 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -71.43 -25.42 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' HA2' ' OH ' ' A' ' 20' ' ' TYR . . . 113.89 32.65 2.01 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.03 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.652 ' HB1' HD12 ' A' ' 87' ' ' ILE . . . -93.11 149.27 21.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.722 0.296 . . . . 0.0 111.058 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.599 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.9 t70 -110.57 -33.74 6.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.571 . . . . 0.0 110.41 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 23' ' ' GLU . 9.6 t -126.62 141.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.266 175.076 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.605 HG12 HG23 ' A' ' 87' ' ' ILE . 34.6 m -122.43 142.54 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.974 0.416 . . . . 0.0 110.022 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.48 103.01 14.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.79 86.12 4.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.748 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -17.32 57.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 173.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -50.23 126.02 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.673 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.24 -85.47 0.23 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.121 -1.037 . . . . 0.0 111.158 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -159.91 -60.62 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.5 m 52.82 86.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.166 0.916 . . . . 0.0 111.594 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -90.99 -22.02 21.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.625 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -44.61 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.006 0.816 . . . . 0.0 111.408 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -143.96 14.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.686 0.755 . . . . 0.0 109.207 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.479 HG22 ' H ' ' A' ' 83' ' ' GLY . 6.8 mt 65.81 149.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 113.972 -1.467 . . . . 0.0 112.733 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -164.43 31.08 0.07 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.619 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.479 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -68.81 141.85 37.17 Favored Glycine 0 CA--C 1.503 -0.718 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.971 -174.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.445 HG23 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -118.4 148.65 42.32 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 120.785 0.326 . . . . 0.0 110.54 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.06 132.64 25.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.77 122.47 47.22 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.652 HD12 ' HB1' ' A' ' 67' ' ' ALA . 25.9 pt -115.82 153.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.693 0.758 . . . . 0.0 113.022 -168.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -131.5 153.3 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.457 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -109.24 148.32 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.51 ' HZ1' ' CG ' ' A' ' 68' ' ' ASP . 3.6 ptmt -72.94 156.32 38.97 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.985 0.422 . . . . 0.0 110.645 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -91.91 176.72 6.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.221 0.534 . . . . 0.0 110.439 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.402 ' H ' HD22 ' A' ' 92' ' ' LEU . 1.8 pt? -107.24 6.15 28.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.96 -120.34 0.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.2 m-70 -58.68 142.39 49.84 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.659 177.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -171.34 112.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.334 174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -48.31 -52.68 20.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.96 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -176.69 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.646 0.736 . . . . 0.0 109.2 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -168.49 -48.22 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.693 ' HB3' ' HE1' ' A' ' 25' ' ' MET . 3.5 p-80 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 113.632 -1.622 . . . . 0.0 108.34 166.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.134 0.492 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -94.6 170.21 9.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.165 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m 77.35 132.22 0.05 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.895 0.747 . . . . 0.0 111.984 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.96 156.68 30.12 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -128.93 111.3 12.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.364 0.602 . . . . 0.0 112.153 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -114.39 101.53 9.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.751 169.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.7 m -81.33 129.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 0.0 111.147 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.455 ' HA ' ' HE3' ' A' ' 8' ' ' MET . 0.4 OUTLIER -141.88 115.83 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 -179.408 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.435 ' HB3' ' HE2' ' A' ' 91' ' ' LYS . 4.5 pp -125.64 155.16 41.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 175.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.55 29.97 1.99 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.554 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.471 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -100.02 169.74 8.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.666 0.269 . . . . 0.0 110.537 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' HG ' ' HB3' ' A' ' 95' ' ' HIS . 32.1 tp -160.69 -37.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.028 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -143.31 0.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.749 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -165.85 140.28 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.401 HG13 HG12 ' A' ' 16' ' ' VAL . 7.1 p -80.4 -42.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.154 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.445 HG22 ' H ' ' A' ' 18' ' ' ASN . 9.9 p -176.05 149.21 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t -86.88 -33.39 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.536 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.445 ' H ' HG22 ' A' ' 16' ' ' VAL . 51.1 t30 70.61 133.41 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 124.041 0.838 . . . . 0.0 111.43 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 p -76.95 -25.19 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.259 0.552 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -90.39 -170.26 2.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' O ' ' HA ' ' A' ' 68' ' ' ASP . . . -88.93 -59.39 2.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.165 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.606 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -97.16 150.54 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.783 -177.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.97 152.71 33.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.828 HD11 HG22 ' A' ' 70' ' ' VAL . 29.6 mm -82.48 142.05 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.102 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 mmt -129.5 139.41 51.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.004 0.43 . . . . 0.0 111.618 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' HE3' ' OD1' ' A' ' 29' ' ' ASP . 40.5 mtmt -59.89 156.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.117 171.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.494 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -71.88 -22.54 61.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.74 0.305 . . . . 0.0 111.792 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.3 p -69.33 -50.06 49.97 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.228 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.465 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.5 m-20 -72.21 -29.7 64.22 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.321 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.513 ' HA ' HG23 ' A' ' 33' ' ' VAL . 60.4 t80 -56.6 -48.32 77.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.07 -33.58 75.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.164 0.507 . . . . 0.0 110.747 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.27 -37.94 43.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.656 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.647 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 22.5 m -82.95 -8.75 11.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.716 0.293 . . . . 0.0 110.718 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.72 -14.91 56.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.493 0.663 . . . . 0.0 109.977 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -93.32 -25.39 17.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.574 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' HG2' ' CB ' ' A' ' 11' ' ' ALA . 15.7 mt-10 -99.15 -7.99 25.8 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.249 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.647 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 86.7 m-85 -129.87 163.91 25.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 0.0 111.169 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -127.61 152.5 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 tppt? -78.67 133.46 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.136 0.574 . . . . 0.0 110.452 -179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.787 HD11 ' HG2' ' A' ' 89' ' ' LYS . 22.7 pt -125.54 15.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.411 . . . . 0.0 111.474 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 110.86 167.79 19.08 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.702 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -106.4 158.25 17.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 pt -119.93 164.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -149.79 178.04 9.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.764 0.316 . . . . 0.0 110.476 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.676 HG21 ' HB1' ' A' ' 54' ' ' ALA . 1.6 p -127.8 131.28 49.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.4 m -154.87 131.96 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.07 -6.87 2.88 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.586 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.695 ' HG2' ' HB2' ' A' ' 80' ' ' LYS . 39.5 mt-10 61.45 93.13 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.465 0.65 . . . . 0.0 111.305 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 83.0 mtp -135.64 -167.44 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.907 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 m -82.04 144.02 50.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.57 -42.5 26.28 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.518 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 82.7 mt -69.47 -39.61 77.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 0.0 110.288 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.82 -38.87 92.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.676 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -63.93 -43.09 96.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.78 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -58.4 -51.62 69.04 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.356 -178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.518 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 41.4 mt-10 -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.046 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.64 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 26.4 t70 -67.69 -43.52 79.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.102 0.477 . . . . 0.0 110.092 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD11 HG22 ' A' ' 45' ' ' THR . 34.7 mt -64.28 -49.42 71.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.967 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.3 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.287 -175.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.65 -40.8 76.25 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.516 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.64 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.0 ttpt -68.08 -42.0 81.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.652 0.263 . . . . 0.0 111.392 -175.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 87' ' ' ILE . . . -59.76 -47.31 86.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.108 0.48 . . . . 0.0 110.563 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.94 -39.4 91.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.53 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.31 -26.12 59.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.253 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -73.04 -21.02 60.87 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.6 -1.86 15.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.597 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HB1' HD13 ' A' ' 40' ' ' ILE . . . -56.29 148.36 18.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.901 0.35 . . . . 0.0 111.231 -176.141 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.533 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 7.6 m-20 -98.35 -37.89 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.627 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -125.41 138.86 53.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.77 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.828 HG22 HD11 ' A' ' 24' ' ' ILE . 16.8 m -123.63 142.25 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.022 0.439 . . . . 0.0 110.301 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -124.69 109.79 23.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.936 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -81.46 77.19 8.35 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -62.21 -41.16 98.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.312 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m 60.43 -172.8 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.015 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.97 -153.06 5.83 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -146.16 50.28 1.17 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 122.069 0.937 . . . . 0.0 110.824 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.4 m -132.19 78.85 1.83 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.066 174.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.33 -16.81 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.076 -172.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -55.75 -63.95 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.345 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.695 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -105.61 -9.08 17.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.407 0.622 . . . . 0.0 110.603 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 8.5 mt 63.2 148.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.157 -171.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -166.2 29.05 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.41 141.42 27.72 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.876 -176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -112.56 156.89 21.88 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.44 132.49 35.5 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.63 125.58 52.02 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.79 HG22 HG12 ' A' ' 70' ' ' VAL . 18.4 pt -116.0 153.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.464 0.649 . . . . 0.0 112.722 -169.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.413 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 74.1 m-85 -131.9 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.999 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.787 ' HG2' HD11 ' A' ' 40' ' ' ILE . 21.0 mmmt -109.92 159.54 17.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.156 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -63.66 157.71 23.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.386 0.613 . . . . 0.0 110.535 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.435 ' HE2' ' HB3' ' A' ' 9' ' ' LEU . 30.5 mttp -95.55 173.47 7.48 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.728 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -93.43 -3.8 52.48 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.922 -176.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.52 116.83 22.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -145.2 106.53 4.2 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.489 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 39.2 p-80 -53.32 127.22 23.89 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.33 0.586 . . . . 0.0 110.786 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -86.66 169.51 12.63 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 66.66 96.11 0.06 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -63.77 -25.48 68.2 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -167.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 69.5 m80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.784 176.435 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.616 0.246 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.485 ' HZ1' ' HB2' ' A' ' 2' ' ' LYS . 10.2 mtmp? -73.46 106.22 5.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 -179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -83.28 129.84 35.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.405 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.5 90.97 0.18 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.681 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -166.41 116.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -149.64 81.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.859 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -179.07 129.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.615 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -149.55 111.03 4.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.9 mt -124.36 -179.34 4.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.621 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 50.66 4.48 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.232 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.8 105.0 16.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.785 0.326 . . . . 0.0 110.193 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.35 150.91 30.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.02 129.2 12.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -141.83 119.71 11.94 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.705 HG11 HG23 ' A' ' 16' ' ' VAL . 7.1 p -174.2 166.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.635 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.705 HG23 HG11 ' A' ' 15' ' ' VAL . 48.7 t 77.0 86.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.694 0.759 . . . . 0.0 110.713 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -121.8 120.34 34.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.56 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -92.63 84.14 5.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 -173.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -87.66 131.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.79 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -122.57 147.44 46.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.933 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.86 114.59 3.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.653 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.406 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -58.11 104.24 0.19 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.829 0.706 . . . . 0.0 111.214 -176.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.602 ' HB3' ' HE2' ' A' ' 25' ' ' MET . 3.3 tp10 -119.37 144.32 46.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.192 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.719 HD11 HG22 ' A' ' 70' ' ' VAL . 15.5 mm -83.6 129.26 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.602 ' HE2' ' HB3' ' A' ' 23' ' ' GLU . 21.2 mmt -114.17 157.93 22.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -79.71 151.48 30.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.98 -22.17 62.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 p -77.8 -53.67 7.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.5 -29.24 56.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.252 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.5 ' HA ' HG22 ' A' ' 33' ' ' VAL . 23.7 t80 -61.27 -43.07 99.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.68 -30.47 71.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -74.51 -45.37 46.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.9 m -74.44 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.767 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.59 43.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.983 0.42 . . . . 0.0 111.086 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -70.09 -31.11 68.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.785 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.46 13.21 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.505 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.493 ' CE2' HG21 ' A' ' 69' ' ' VAL . 9.0 m-85 -116.75 169.35 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.264 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 m -139.0 135.8 34.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.977 0.418 . . . . 0.0 110.907 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -76.11 122.18 23.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.163 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.424 HG21 ' HG3' ' A' ' 89' ' ' LYS . 13.2 pt -92.76 -17.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.402 175.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.75 14.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.006 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.14 152.43 22.81 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 85' ' ' ALA . 17.0 pt -117.24 163.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.528 ' HB2' HG22 ' A' ' 84' ' ' THR . 29.6 t -155.71 167.13 31.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.095 0.474 . . . . 0.0 110.534 -177.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.495 HG22 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -108.06 160.35 15.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.463 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -150.37 120.98 7.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.22 7.6 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.641 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.46 115.13 2.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.11 169.2 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.645 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.522 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 21.4 m -69.01 141.5 92.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.48 ' HA ' HD11 ' A' ' 81' ' ' ILE . 17.8 Cg_endo -60.27 -55.91 1.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.765 2.31 . . . . 0.0 113.709 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -72.53 -32.45 66.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.522 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 16.2 m-20 -71.2 -37.7 72.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.965 -178.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.495 ' HB1' HG22 ' A' ' 45' ' ' THR . . . -70.84 -32.91 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.255 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -66.76 -43.78 83.18 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.527 ' HA ' HD11 ' A' ' 59' ' ' ILE . 1.3 tm-20 -56.42 -42.91 78.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.116 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.62 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 21.9 t70 -69.36 -33.32 72.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 0.0 110.57 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.408 HD12 HG23 ' A' ' 45' ' ' THR . 48.7 mt -66.0 -42.8 89.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.922 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 56' ' ' GLU . 29.4 mt -63.02 -41.97 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.685 178.187 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.62 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 35.1 mtpt -55.51 -52.97 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.765 174.019 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -62.37 -38.28 88.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.583 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.24 87.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.694 174.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.92 -41.97 90.73 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.45 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.18 -35.78 78.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.936 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -75.98 -34.29 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.826 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.53 18.96 10.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.33 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.41 ' HA ' ' CD ' ' A' ' 89' ' ' LYS . . . -65.49 145.32 56.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.47 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.406 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.3 t70 -96.61 -39.53 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.493 HG21 ' CE2' ' A' ' 37' ' ' TYR . 39.9 t -114.46 135.17 55.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.093 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.748 HG13 HG23 ' A' ' 87' ' ' ILE . 22.2 m -127.23 142.0 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.95 128.34 62.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.453 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.62 99.73 11.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.484 . . . . 0.0 110.199 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -89.14 -10.68 46.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.416 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 p -46.36 124.87 6.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.573 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.16 -20.44 77.39 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.279 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.99 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.4 p -93.98 -76.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -179.19 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.25 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -105.15 -47.77 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.518 0.675 . . . . 0.0 110.288 -175.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.01 44.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.48 HD11 ' HA ' ' A' ' 51' ' ' PRO . 18.8 pt -78.24 129.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.634 0.73 . . . . 0.0 112.749 -173.758 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -113.61 38.12 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 168.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.65 141.89 35.83 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.409 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.528 HG22 ' HB2' ' A' ' 44' ' ' SER . 45.9 p -106.47 169.5 8.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.209 0.528 . . . . 0.0 111.091 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -141.45 133.4 27.54 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -110.26 120.67 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.017 0.437 . . . . 0.0 109.916 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.748 HG23 HG13 ' A' ' 70' ' ' VAL . 23.6 pt -116.27 153.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.312 0.577 . . . . 0.0 112.359 -170.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -134.3 150.79 51.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.752 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.465 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 21.2 mmmt -113.46 157.98 21.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.264 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.45 ' HE3' ' OH ' ' A' ' 37' ' ' TYR . 35.6 mttt -74.83 145.91 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -91.12 -174.93 4.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.887 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.463 HD12 ' N ' ' A' ' 93' ' ' GLU . 4.0 pp -95.93 -24.02 16.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.177 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.463 ' N ' HD12 ' A' ' 92' ' ' LEU . 35.3 tt0 -103.12 87.77 2.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.305 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -127.77 120.21 27.39 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.71 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -82.4 -19.02 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.07 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -74.14 110.67 8.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.06 -35.41 5.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.851 -175.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -98.8 152.16 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.339 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.633 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.421 0.153 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -114.52 109.93 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.976 0.417 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t -159.47 167.9 27.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.22 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.13 -152.98 18.12 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.25 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 69.59 154.47 0.12 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.448 0.699 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -142.26 -79.54 0.23 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.6 p -152.3 115.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.433 0.635 . . . . 0.0 111.36 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.548 ' HG2' HD13 ' A' ' 9' ' ' LEU . 27.4 ttt -146.19 164.48 32.12 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD13 ' HG2' ' A' ' 8' ' ' MET . 11.2 mp 71.45 63.64 0.15 Allowed 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.597 0.561 . . . . 0.0 110.271 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.74 -63.39 3.36 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.34 77.9 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.539 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -151.41 122.62 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.04 101.99 3.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.003 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 66.81 167.51 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.26 1.028 . . . . 0.0 112.888 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.649 HG22 ' HG3' ' A' ' 93' ' ' GLU . 3.9 p -158.62 80.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 113.725 -1.579 . . . . 0.0 107.37 170.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.81 -35.73 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.02 -162.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.534 HG23 HG12 ' A' ' 33' ' ' VAL . 1.9 m -80.66 73.78 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.8 0.809 . . . . 0.0 111.035 -174.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -89.36 106.33 18.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.165 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.745 HG12 HG23 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -81.96 117.47 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 176.508 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -73.84 -26.92 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.479 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.86 170.58 9.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.625 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -56.81 110.46 0.81 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.614 0.572 . . . . 0.0 111.862 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -137.27 155.78 49.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.923 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.735 HD12 HG22 ' A' ' 70' ' ' VAL . 19.1 mm -84.43 133.71 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.0 mtp -120.61 -175.23 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.48 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 66.8 mttm -82.65 -163.79 0.76 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -103.61 -44.06 5.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.2 m -70.87 -47.89 56.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.423 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.462 ' O ' HG23 ' A' ' 33' ' ' VAL . 1.3 p30 -69.52 -32.39 71.2 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.033 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.522 ' HA ' HG23 ' A' ' 33' ' ' VAL . 78.2 t80 -59.95 -40.67 89.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.034 0.445 . . . . 0.0 110.691 176.051 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.6 -33.75 76.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -83.17 -31.22 27.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.651 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.534 HG12 HG23 ' A' ' 17' ' ' THR . 32.1 m -87.25 -12.28 10.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.902 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.478 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.1 -23.72 64.06 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.39 0.614 . . . . 0.0 110.211 174.234 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -62.01 -41.98 98.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.269 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -84.07 5.53 25.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.821 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.522 ' CE2' HG21 ' A' ' 69' ' ' VAL . 19.7 m-30 -127.5 178.83 5.83 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 111.482 -171.243 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -147.25 162.51 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -117.21 118.13 31.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.912 0.386 . . . . 0.0 110.903 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.4 pt -84.58 -25.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.375 -178.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.02 176.15 26.06 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.658 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -105.94 150.99 25.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 pt -124.69 164.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.561 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -145.64 176.0 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 112.687 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.609 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 2.3 p -123.77 138.6 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.492 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -143.67 108.44 4.9 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.959 0.409 . . . . 0.0 111.3 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.29 -119.35 0.89 Allowed Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.039 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -168.56 86.96 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.319 0.581 . . . . 0.0 110.608 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -136.24 168.07 20.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.768 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.9 m -67.06 148.55 98.84 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.629 0.252 . . . . 0.0 110.841 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.714 ' HD3' ' HG3' ' A' ' 78' ' ' GLU . 12.0 Cg_endo -54.74 -45.25 42.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.55 2.833 . . . . 0.0 113.9 -171.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 5.7 mp -71.51 -34.46 70.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.11 -38.51 88.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.459 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -60.84 -42.1 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.447 175.285 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.638 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 36.3 mtm180 -57.65 -57.53 12.32 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.971 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' HA ' HD12 ' A' ' 59' ' ' ILE . 31.9 mt-10 -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.638 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.586 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 17.1 t70 -62.81 -47.01 85.29 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.52 HD13 ' HB1' ' A' ' 85' ' ' ALA . 55.3 mt -62.39 -48.02 81.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.969 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.434 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.0 mt -59.81 -46.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.622 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -73.06 -30.89 64.04 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 120.757 0.313 . . . . 0.0 110.618 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -69.75 -43.07 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.33 86.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.15 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.75 -35.2 80.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.533 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.92 -41.81 82.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.417 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -73.65 -34.72 65.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.17 60.59 0.45 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.642 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HB1' HD12 ' A' ' 87' ' ' ILE . . . -111.33 151.75 28.05 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.625 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 90.1 m-20 -104.74 -31.69 9.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.745 HG23 HG12 ' A' ' 19' ' ' VAL . 18.6 t -124.76 139.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.735 HG22 HD12 ' A' ' 24' ' ' ILE . 15.3 m -129.32 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.32 114.3 28.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.823 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.5 mt -84.03 84.74 7.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.398 0.618 . . . . 0.0 110.264 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.66 0.75 56.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.908 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 132.9 23.97 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.591 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.71 98.26 0.46 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 171.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.61 75.36 0.81 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 122.241 1.019 . . . . 0.0 111.021 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 m -79.99 -13.91 58.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.401 173.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.714 ' HG3' ' HD3' ' A' ' 51' ' ' PRO . 37.6 tt0 73.06 -70.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.665 0.786 . . . . 0.0 112.242 174.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -59.71 4.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 0.0 111.986 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -112.29 61.08 0.63 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.801 0.81 . . . . 0.0 110.312 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.459 HD11 ' HB3' ' A' ' 54' ' ' ALA . 22.2 pt -49.25 122.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.309 -1.314 . . . . 0.0 112.866 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . 0.609 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.5 t-80 -148.79 48.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.07 166.17 15.43 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.623 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.561 HG22 ' HB3' ' A' ' 44' ' ' SER . 21.5 p -112.97 153.49 27.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.52 ' HB1' HD13 ' A' ' 58' ' ' LEU . . . -121.12 134.39 55.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.38 115.11 29.76 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.624 HG22 HG11 ' A' ' 70' ' ' VAL . 30.3 pt -116.54 152.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.906 -171.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CD1' ' HZ ' ' A' ' 30' ' ' PHE . 5.7 m-85 -135.41 152.22 51.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.016 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.45 ' HZ1' ' CG ' ' A' ' 68' ' ' ASP . 54.9 tptt -119.7 137.76 53.71 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.547 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 17.2 pttm -69.56 165.03 21.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.637 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -85.1 178.83 7.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.913 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.4 mt -89.76 1.56 55.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.067 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.649 ' HG3' HG22 ' A' ' 15' ' ' VAL . 21.1 tt0 69.57 162.19 0.22 Allowed 'General case' 0 CA--C 1.535 0.4 0 O-C-N 123.735 0.647 . . . . 0.0 111.363 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.537 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 15.4 m80 44.97 78.63 0.06 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.278 0.631 . . . . 0.0 112.671 174.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -143.3 146.1 33.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.581 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -137.63 155.71 48.87 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -71.45 -45.59 62.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.558 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 64.21 89.23 0.09 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.36 0.6 . . . . 0.0 111.425 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.429 ' O ' ' HB3' ' A' ' 8' ' ' MET . 56.8 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.234 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -141.56 -59.51 0.48 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.622 -174.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -123.25 137.4 54.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 69.06 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.281 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -123.1 90.89 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.083 0.468 . . . . 0.0 110.903 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -128.13 84.36 2.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.088 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.79 146.2 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mtt -112.1 123.7 50.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.048 0.452 . . . . 0.0 110.886 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.9 132.1 53.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.62 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.52 113.02 0.55 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.086 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.01 143.86 44.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.76 160.9 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.509 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.81 86.18 0.13 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.895 0.747 . . . . 0.0 111.446 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -124.02 -25.21 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.743 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.27 163.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 111.896 -174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 m -99.91 134.91 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.707 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -100.27 144.41 29.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.104 0.478 . . . . 0.0 111.841 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -96.78 176.58 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.443 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -153.14 125.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.33 178.86 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.6 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 179.52 4.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.88 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -170.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.431 ' HG2' ' N ' ' A' ' 24' ' ' ILE . 35.2 tt0 -153.95 163.8 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.583 172.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.641 HD11 HG22 ' A' ' 70' ' ' VAL . 19.4 mm -77.15 144.08 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.414 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 26.2 mmt -119.3 169.19 10.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -82.74 153.97 25.02 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -55.04 -54.41 43.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.2 m -69.06 -42.13 76.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.959 0.409 . . . . 0.0 111.134 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -72.33 -37.63 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.643 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.55 ' HA ' HG23 ' A' ' 33' ' ' VAL . 45.7 t80 -62.55 -42.07 99.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 110.088 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.83 -30.65 71.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.847 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -87.2 -30.94 20.61 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.727 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.55 HG23 ' HA ' ' A' ' 30' ' ' PHE . 31.4 m -82.3 -21.23 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.578 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -61.95 -14.7 37.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 111.094 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -64.45 -34.19 77.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.394 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.497 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 18.3 mt-10 -105.24 23.9 12.93 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.114 0.483 . . . . 0.0 111.002 175.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.602 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 27.9 m-85 -131.54 165.03 24.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 4.8 m -140.17 169.06 18.39 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -176.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -112.43 135.57 52.97 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.995 -0.441 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 HD13 ' HG3' ' A' ' 65' ' ' LYS . 14.7 pt -107.21 -13.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.74 169.08 16.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.236 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 m -105.75 156.07 18.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 pt -132.66 166.0 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.653 0.263 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -150.43 161.4 42.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.448 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 3.1 m -77.68 144.55 37.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.096 0.474 . . . . 0.0 111.166 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 m -96.01 101.5 13.18 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.617 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.68 134.56 8.51 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.062 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -82.63 89.73 6.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.178 0.513 . . . . 0.0 109.769 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtm -117.8 -169.49 1.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.895 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.526 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 8.9 m -66.52 160.51 66.44 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.628 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.557 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 11.6 Cg_endo -54.29 -54.1 5.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.995 2.463 . . . . 0.0 112.918 -175.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.15 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.0 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.45 -48.51 64.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.14 92.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -65.42 -43.94 88.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.52 -33.49 71.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.638 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.548 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.7 t70 -70.63 -42.29 71.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.33 0.586 . . . . 0.0 109.999 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.57 -44.71 77.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.084 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.28 -47.93 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.164 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -66.56 -45.4 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.896 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -65.83 -41.02 92.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.386 -175.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.45 99.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.54 -33.99 75.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.18 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.34 -28.92 67.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.1 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG3' HD13 ' A' ' 40' ' ' ILE . 15.3 tppt? -79.96 -25.59 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.815 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.42 39.95 4.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.754 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.589 ' HB1' HD12 ' A' ' 87' ' ' ILE . . . -87.28 160.56 18.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.615 0.245 . . . . 0.0 110.537 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.523 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 9.4 m-20 -113.92 -24.38 9.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.098 0.475 . . . . 0.0 110.819 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.503 HG23 ' CE2' ' A' ' 37' ' ' TYR . 77.8 t -127.17 139.77 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.48 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.641 HG22 HD11 ' A' ' 24' ' ' ILE . 21.2 m -125.26 142.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.9 t -137.97 123.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.616 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.43 93.39 1.95 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -78.78 -26.47 44.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.776 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.562 ' HB2' ' HB ' ' A' ' 84' ' ' THR . 65.8 m -148.56 176.79 10.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.417 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.499 ' O ' ' HG3' ' A' ' 76' ' ' GLN . . . 156.34 -120.87 1.03 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -174.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.499 ' HG3' ' O ' ' A' ' 75' ' ' GLY . 26.5 mt-30 -161.58 -92.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.691 0.396 . . . . 0.0 110.295 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.1 p -117.4 -83.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.557 ' O ' ' HB3' ' A' ' 51' ' ' PRO . 33.5 tt0 -164.67 -61.23 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.066 175.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.484 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 8.3 t-20 -58.92 -32.47 69.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.823 ' HZ1' ' HB3' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -128.57 128.67 44.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 170.605 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.469 ' HA ' ' HB2' ' A' ' 76' ' ' GLN . 17.1 pt -151.33 128.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.123 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -99.95 82.28 2.55 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 161.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.74 138.69 22.62 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.543 -0.837 . . . . 0.0 114.246 -166.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.562 ' HB ' ' HB2' ' A' ' 74' ' ' SER . 2.5 m -123.95 141.88 51.65 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.21 40.81 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.509 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -110.66 116.08 30.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.589 HD12 ' HB1' ' A' ' 67' ' ' ALA . 33.1 pt -108.28 152.84 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 121.626 0.727 . . . . 0.0 112.462 -168.429 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 31.5 m-85 -131.01 153.72 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.772 -175.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.523 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 57.6 tptt -125.64 138.51 53.91 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.645 -1.162 . . . . 0.0 108.908 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -69.12 156.25 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.305 0.574 . . . . 0.0 111.028 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.509 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 93.5 mttt -93.19 -179.79 5.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.318 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.406 HD23 ' H ' ' A' ' 92' ' ' LEU . 2.0 pt? -111.73 14.33 21.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.142 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' OE2' ' HD3' ' A' ' 91' ' ' LYS . 35.5 mt-10 -95.38 17.26 14.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -79.73 110.29 14.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.401 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -63.96 141.64 58.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.084 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.29 161.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.159 0.912 . . . . 0.0 111.559 -178.177 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.15 50.38 15.34 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 -173.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -106.56 -23.11 12.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.133 -178.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.617 -178.676 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -131.32 100.35 5.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.048 0.451 . . . . 0.0 110.364 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -149.33 177.13 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 39.45 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.296 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -109.25 133.34 53.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -94.93 97.51 10.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.84 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.29 140.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.506 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.7 149.75 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.026 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -114.68 107.02 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.283 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.92 -27.14 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.488 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 90.6 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.657 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.62 136.34 47.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.37 151.76 20.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.227 0.537 . . . . 0.0 111.44 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -123.39 139.4 54.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.136 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.08 132.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 111.408 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.72 120.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -132.46 138.8 47.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.137 0.494 . . . . 0.0 110.941 -173.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -129.06 85.37 2.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.903 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.37 26.29 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.406 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -125.04 108.39 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.226 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.6 -53.04 8.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.653 ' H ' ' HA ' ' A' ' 68' ' ' ASP . . . 46.66 64.67 1.44 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.167 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -128.44 162.74 26.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.357 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.619 HD13 HG21 ' A' ' 70' ' ' VAL . 24.7 mm -86.22 123.3 39.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.455 ' SD ' HG21 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -101.91 138.41 38.91 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.921 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -60.15 146.74 42.2 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 82.6 tttt -61.86 -34.89 76.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.806 0.276 . . . . 0.0 111.387 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.612 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 19.3 m -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.039 0.447 . . . . 0.0 110.423 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.66 -31.02 61.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.9 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.544 ' HA ' HG23 ' A' ' 33' ' ' VAL . 71.1 t80 -61.69 -44.65 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.964 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.45 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.101 0.477 . . . . 0.0 110.93 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.612 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.1 mptt -75.56 -44.12 44.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.544 HG23 ' HA ' ' A' ' 30' ' ' PHE . 33.5 m -80.33 -7.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.85 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -18.16 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.359 0.599 . . . . 0.0 109.869 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -86.64 -27.23 23.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.197 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.37 6.22 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.112 -172.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.523 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 17.4 m-85 -133.83 172.9 12.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 111.227 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.403 ' HG1' ' HE2' ' A' ' 91' ' ' LYS . 86.7 m -144.58 134.08 23.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.565 -178.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 87' ' ' ILE . 37.2 ttpt -85.89 121.45 28.55 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.609 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 7.1 pt -90.87 -7.5 10.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.022 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.56 174.42 15.01 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.485 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -105.19 146.53 29.12 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 pt -116.02 163.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 t -152.4 175.54 12.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.769 -175.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.566 HG21 ' HB1' ' A' ' 54' ' ' ALA . 11.2 t -155.48 -179.87 8.51 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.542 HG21 ' HG2' ' A' ' 48' ' ' GLU . 11.4 m -94.19 140.55 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.04 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.659 ' HA2' ' O ' ' A' ' 81' ' ' ILE . . . -73.24 -5.71 67.25 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 114.544 0.577 . . . . 0.0 114.544 -173.129 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.542 ' HG2' HG21 ' A' ' 46' ' ' THR . 9.2 pt-20 -96.21 37.78 1.23 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.171 0.51 . . . . 0.0 111.204 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.442 ' HE1' ' HB ' ' A' ' 46' ' ' THR . 63.3 mtt -127.35 163.24 24.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.269 -179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.6 m -71.84 152.9 93.21 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.706 ' HB3' ' HA ' ' A' ' 78' ' ' GLU . 13.2 Cg_endo -56.0 -55.66 2.75 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.012 2.474 . . . . 0.0 113.072 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 9.2 tt -69.27 -35.3 75.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.37 -48.27 80.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.641 ' HB2' HD11 ' A' ' 81' ' ' ILE . . . -66.34 -30.97 71.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.538 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 19.6 mtm180 -68.84 -48.22 64.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 17.6 mm-40 -62.01 -29.92 70.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 110.296 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 10.1 t70 -65.33 -45.43 84.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.425 0.631 . . . . 0.0 109.634 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.48 -46.74 78.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.72 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -65.03 -40.93 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.734 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.6 pttp -70.83 -33.08 70.3 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.267 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.504 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttpt -70.4 -42.11 72.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.0 110.758 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.67 73.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.202 171.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.0 -38.13 72.66 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.369 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 40.4 mt-10 -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.153 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.609 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 54.5 tttp -84.03 -29.2 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.085 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.407 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 96.64 43.01 3.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.365 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.564 ' HB1' HD13 ' A' ' 87' ' ' ILE . . . -82.63 159.87 22.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 111.271 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.653 ' HA ' ' H ' ' A' ' 22' ' ' ALA . 18.1 m-20 -111.23 -29.03 8.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 96.6 t -126.56 141.1 46.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.668 HG13 HG23 ' A' ' 87' ' ' ILE . 16.0 m -124.68 142.38 41.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.76 102.09 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.2 mt -77.84 90.29 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.205 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.29 -15.29 57.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.222 0.534 . . . . 0.0 111.071 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.6 m -144.53 178.61 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 -18.1 30.55 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.553 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -94.66 32.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.279 0.539 . . . . 0.0 112.017 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.694 ' HB ' HG23 ' A' ' 81' ' ' ILE . 7.1 m -91.43 -20.42 21.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.211 0.529 . . . . 0.0 110.031 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.706 ' HA ' ' HB3' ' A' ' 51' ' ' PRO . 39.3 tt0 73.56 -66.73 0.29 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.999 173.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -54.75 -64.3 0.88 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 110.55 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -138.84 146.58 41.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 166.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.694 HG23 ' HB ' ' A' ' 77' ' ' THR . 23.4 pt -143.21 124.49 11.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-O 121.181 0.515 . . . . 0.0 112.161 -171.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -85.74 72.24 10.58 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 166.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.36 134.41 50.91 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.823 -1.08 . . . . 0.0 113.073 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.48 139.24 33.27 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -149.03 134.76 18.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.379 -177.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.15 118.08 36.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.035 0.445 . . . . 0.0 109.813 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.668 HG23 HG13 ' A' ' 70' ' ' VAL . 29.7 pt -105.76 152.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 0.0 111.568 -173.174 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 58.1 m-85 -130.87 148.73 52.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.197 -176.622 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.5 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 50.7 tptt -120.05 141.69 49.52 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.977 -173.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -69.23 137.35 53.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.33 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.403 ' HE2' ' HG1' ' A' ' 38' ' ' THR . 52.2 mttm -79.5 -175.16 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.298 173.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -11.11 59.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.067 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -113.83 87.08 2.54 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.307 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -148.41 97.68 2.79 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 170.301 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -64.86 -28.12 69.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.811 0.694 . . . . 0.0 111.567 -166.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.605 ' CE1' ' HA ' ' A' ' 99' ' ' HIS . 6.9 t-160 61.73 83.54 0.15 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.592 168.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -86.15 -29.9 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.174 0.511 . . . . 0.0 110.394 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -117.62 128.12 54.62 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.605 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 24.4 p80 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.056 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.808 0.337 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -117.54 106.88 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.017 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 t -156.59 95.72 1.58 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.312 0.577 . . . . 0.0 110.243 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.4 111.12 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.573 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -146.04 146.13 30.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -169.61 111.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.242 0.544 . . . . 0.0 111.228 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.47 124.04 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.755 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mtp -130.14 119.96 23.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -136.55 115.26 12.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.26 99.49 0.17 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.93 -176.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.58 133.2 16.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' N ' HD21 ' A' ' 12' ' ' LEU . 1.7 pt? -129.1 124.45 34.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.124 0.488 . . . . 0.0 111.171 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.43 99.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -146.95 117.97 7.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -130.65 120.04 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 0.0 111.042 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.37 96.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.004 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -150.72 98.03 2.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.17 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.12 129.83 55.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.336 0.588 . . . . 0.0 110.489 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -167.84 132.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.678 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.415 ' CD1' ' HA2' ' A' ' 66' ' ' GLY . 29.9 m-85 -107.81 112.94 25.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.61 34.64 3.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.429 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.92 0.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.602 0.564 . . . . 0.0 111.577 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -143.88 167.12 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.68 HD11 HG23 ' A' ' 70' ' ' VAL . 21.8 mm -88.6 132.24 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.417 ' HG2' HG22 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -105.51 153.47 21.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.352 175.408 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -72.62 159.71 33.43 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.583 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.78 -55.03 25.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.418 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 13.6 t -74.48 -35.83 63.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.868 -176.4 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.29 -38.68 85.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.518 ' HA ' HG21 ' A' ' 33' ' ' VAL . 41.8 t80 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.83 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -32.59 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.418 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.5 mptt -74.62 -44.64 49.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.036 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.518 HG21 ' HA ' ' A' ' 30' ' ' PHE . 26.1 m -77.07 -19.17 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.949 -177.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.82 57.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.998 0.428 . . . . 0.0 110.891 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 t -83.67 -17.09 42.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.823 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.86 9.9 17.64 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.887 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.451 ' CE2' HG22 ' A' ' 69' ' ' VAL . 10.3 m-85 -127.88 178.34 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.18 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -137.25 141.49 42.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' A' ' 86' ' ' ASP . 40.2 tttp -85.51 122.4 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.002 -178.646 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.592 HD11 ' HG2' ' A' ' 89' ' ' LYS . 24.0 pt -108.86 2.72 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.653 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.77 170.14 13.11 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.353 -0.927 . . . . 0.0 112.449 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -105.7 155.01 19.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.801 0.334 . . . . 0.0 110.16 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG12 ' O ' ' A' ' 85' ' ' ALA . 8.9 pt -119.28 163.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -148.46 165.39 31.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 111.312 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.547 HG22 HD21 ' A' ' 58' ' ' LEU . 1.6 p -146.09 121.08 10.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.241 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -156.24 119.36 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.93 -116.35 0.6 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -155.78 90.36 1.22 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.487 0.661 . . . . 0.0 110.93 175.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.627 ' HA ' ' HE1' ' A' ' 49' ' ' MET . 1.4 mmt -143.56 -172.12 3.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.677 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.563 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 48.8 m -90.23 144.36 30.97 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 172.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 -41.11 71.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.177 2.585 . . . . 0.0 113.197 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.56 -35.05 76.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.339 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.563 ' OD2' ' HB2' ' A' ' 50' ' ' SER . 70.9 m-20 -62.61 -45.79 91.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 109.77 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.571 ' HB1' HD13 ' A' ' 81' ' ' ILE . . . -60.08 -45.14 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.81 -48.91 77.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.02 -41.59 75.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.606 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.598 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.0 t70 -69.82 -37.17 76.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.547 HD21 HG22 ' A' ' 45' ' ' THR . 57.8 mt -67.11 -48.8 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.228 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.89 -42.03 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.15 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 52.5 pttt -69.55 -39.43 77.43 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.598 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -70.86 -39.57 72.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.412 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.63 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.855 0.36 . . . . 0.0 110.347 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.72 -33.24 72.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.66 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 32.6 mt-10 -69.64 -37.88 76.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.101 175.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -68.46 -32.52 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.415 ' HA2' ' CD1' ' A' ' 20' ' ' TYR . . . 117.38 6.86 12.89 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.275 173.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.44 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . . . -58.78 153.75 16.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -110.76 -27.23 8.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.008 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.541 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 86.3 t -125.94 138.27 55.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.68 HG23 HD11 ' A' ' 24' ' ' ILE . 25.9 m -123.97 142.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.96 175.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.24 104.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.098 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.46 88.02 5.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.029 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 p -75.08 -39.0 61.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.663 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.8 m 59.27 -172.15 0.11 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.676 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.91 -141.85 4.95 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -125.35 46.04 2.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.233 0.54 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 91.5 m -154.75 102.6 2.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.2 -21.87 20.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 173.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -53.23 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.072 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -118.61 10.72 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.438 0.637 . . . . 0.0 110.201 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HB1' ' A' ' 54' ' ' ALA . 16.2 mt 69.57 152.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.508 -1.224 . . . . 0.0 112.127 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -175.9 45.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.99 146.33 16.06 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.761 -172.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.2 p -116.52 153.26 32.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.024 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.448 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -136.85 132.39 34.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' A' ' 39' ' ' LYS . 23.1 t70 -108.64 126.48 53.01 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.563 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.656 HG23 HG13 ' A' ' 70' ' ' VAL . 22.1 pt -115.71 153.91 17.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.662 0.744 . . . . 0.0 112.447 -170.218 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.541 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 32.8 m-85 -133.23 155.14 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.816 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.592 ' HG2' HD11 ' A' ' 40' ' ' ILE . 22.6 mmmt -111.86 153.56 26.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.425 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.13 159.07 24.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -105.23 -177.04 3.25 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.083 -176.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -100.2 -5.38 27.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.499 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -81.06 13.64 2.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.114 0.483 . . . . 0.0 111.308 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -89.29 147.95 23.83 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.6 -58.58 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.221 -175.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.404 ' O ' ' HB2' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -172.78 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.822 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 23.4 m170 68.7 152.47 0.09 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.6 0.714 . . . . 0.0 111.649 -175.457 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -151.48 132.48 14.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.655 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.1 178.725 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -147.03 101.04 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.721 179.119 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.71 103.59 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.753 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.85 123.53 1.26 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.135 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -122.31 136.31 54.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -119.16 144.64 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.513 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -144.7 119.08 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -137.26 111.61 8.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.022 0.439 . . . . 0.0 111.271 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -119.04 155.05 32.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.864 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.53 58.65 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.151 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.2 82.68 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 172.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.73 HD22 ' H ' ' A' ' 12' ' ' LEU . 1.8 pt? -95.37 114.79 26.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.156 -174.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.67 86.57 2.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.01 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.604 ' HE1' HD11 ' A' ' 12' ' ' LEU . 45.8 p90 -129.21 5.76 5.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.44 HG22 HG23 ' A' ' 16' ' ' VAL . 20.0 m -79.87 -177.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.44 HG23 HG22 ' A' ' 15' ' ' VAL . 33.3 t 66.03 79.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.579 0.704 . . . . 0.0 109.84 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.652 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 9.0 t -127.57 -0.92 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.876 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -91.63 -20.68 21.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.596 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.2 m -78.28 97.79 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' HE1' ' HA ' ' A' ' 98' ' ' HIS . 44.6 t80 -111.95 -72.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.897 -174.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.82 -165.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.43 -173.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.672 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -73.6 131.95 42.25 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.84 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.22 167.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.191 0.52 . . . . 0.0 111.495 -175.476 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.65 HD11 HG21 ' A' ' 70' ' ' VAL . 18.3 mm -84.36 147.24 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.346 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.9 mmt -121.48 143.27 49.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.368 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -71.69 161.99 30.14 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 27' ' ' LYS . 12.4 mptt -63.69 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.563 -173.727 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.6 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 8.9 t -71.73 -43.07 66.48 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.469 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.62 -39.55 67.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.386 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -57.74 -48.27 80.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.454 178.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.96 -33.01 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.174 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.6 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.3 mptt -74.46 -42.41 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 29.0 m -79.59 -20.55 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.796 -178.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -21.04 63.19 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -62.73 -42.92 99.9 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.89 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -122.84 32.75 5.62 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.407 0.622 . . . . 0.0 111.661 -175.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -113.78 179.93 3.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 174.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -128.27 144.76 51.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 110.732 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -94.43 122.72 37.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.627 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.515 HG13 HG13 ' A' ' 87' ' ' ILE . 15.0 pt -116.61 7.87 7.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.01 0.433 . . . . 0.0 111.527 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.26 171.6 19.3 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.507 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.4 m -105.72 153.99 21.09 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.22 164.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.527 ' HB2' HG21 ' A' ' 84' ' ' THR . 19.0 t -159.18 -179.58 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.981 0.42 . . . . 0.0 110.887 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -153.82 157.77 39.85 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -155.51 130.84 9.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.113 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.493 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . 141.64 -111.66 0.71 Allowed Glycine 0 N--CA 1.441 -1.005 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.894 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.72 99.2 3.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.758 0.789 . . . . 0.0 110.455 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.3 mmm -138.86 162.23 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.358 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.4 m -89.77 148.53 40.12 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -59.74 -41.07 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.127 1.885 . . . . 0.0 113.626 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.95 -37.5 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.175 0.512 . . . . 0.0 110.113 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.9 -36.17 83.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.352 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.57 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -59.44 -51.1 71.32 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.29 -26.56 66.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.122 -177.224 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.486 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 13.4 t70 -65.75 -48.25 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.9 -44.23 96.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.183 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 50.8 mt -61.45 -48.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.14 -178.689 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.517 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.58 -43.19 97.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.486 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -63.07 -41.46 99.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.171 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.3 92.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.393 . . . . 0.0 110.869 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.62 -32.77 74.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.353 0.597 . . . . 0.0 110.612 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.412 ' HG3' ' HZ1' ' A' ' 60' ' ' LYS . 33.3 mt-10 -78.2 -20.81 51.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.695 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -92.81 -28.04 16.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.08 50.87 0.86 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.185 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.494 ' HB2' HD13 ' A' ' 87' ' ' ILE . . . -95.19 168.85 10.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.14 0.495 . . . . 0.0 111.489 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.672 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 17.2 t70 -126.36 -39.37 2.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.476 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -125.44 137.54 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.321 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG11 HG21 ' A' ' 87' ' ' ILE . 17.6 m -119.74 143.39 31.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.194 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.29 115.28 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.037 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.72 83.45 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -73.9 -42.89 60.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p 54.57 -166.75 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 113.158 174.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.76 139.16 7.8 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.94 72.67 3.52 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.883 0.849 . . . . 0.0 111.14 -174.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 m -150.49 90.89 1.69 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.101 171.549 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.12 -21.36 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.031 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.99 -66.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.313 0.577 . . . . 0.0 109.829 174.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 17.5 pttp -131.01 113.29 13.79 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.409 HG21 ' H ' ' A' ' 83' ' ' GLY . 1.6 mt -75.26 146.68 9.04 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.117 -165.664 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -143.8 25.5 1.62 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.125 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.409 ' H ' HG21 ' A' ' 81' ' ' ILE . . . -74.24 160.99 53.57 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.924 -1.034 . . . . 0.0 113.469 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.527 HG21 ' HB2' ' A' ' 44' ' ' SER . 23.8 p -123.13 155.32 37.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.52 133.44 45.08 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.91 127.06 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.679 HG21 HG11 ' A' ' 70' ' ' VAL . 17.5 pt -116.27 152.8 17.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.613 0.72 . . . . 0.0 112.502 -171.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -130.75 153.72 48.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.936 -179.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -118.57 130.93 56.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.524 ' HZ1' ' CG ' ' A' ' 68' ' ' ASP . 2.3 ttmp? -69.9 134.81 48.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.324 179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.626 ' HB2' ' HG2' ' A' ' 93' ' ' GLU . 7.0 mtpm? -84.68 -169.05 2.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.281 0.562 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -111.8 25.82 11.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.655 -177.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.626 ' HG2' ' HB2' ' A' ' 91' ' ' LYS . 19.2 mm-40 -68.42 -162.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.471 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -84.06 123.26 29.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.081 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -178.55 157.04 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.323 0.389 . . . . 0.0 110.775 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . 0.652 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 5.5 t60 -93.24 102.33 14.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -97.9 16.59 20.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.274 0.559 . . . . 0.0 111.739 -171.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . 0.469 ' HA ' ' HE1' ' A' ' 20' ' ' TYR . 17.7 m80 -140.9 -160.61 1.09 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.099 -0.375 . . . . 0.0 110.326 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . 0.431 ' H ' ' HB3' ' A' ' 98' ' ' HIS . 7.5 p-80 . . . . . 0 C--O 1.243 0.741 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.382 0.134 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.05 99.33 3.3 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 172.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 -176.7 4.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.22 -169.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.02 55.1 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -129.93 89.08 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 0.0 110.043 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -155.75 104.44 2.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.964 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.47 114.75 44.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.353 0.597 . . . . 0.0 110.895 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.8 mtt -107.84 103.28 12.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.424 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -149.74 157.53 43.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.961 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 36.35 3.55 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.735 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.38 79.93 9.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.987 0.422 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -168.03 120.93 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.591 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.58 171.84 15.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.591 0.234 . . . . 0.0 111.016 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.95 157.76 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.007 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -127.64 113.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.564 0.697 . . . . 0.0 110.614 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 m -83.07 129.31 37.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.097 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 p -99.26 -176.94 3.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.628 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -148.71 171.98 15.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -69.18 143.01 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.695 0.284 . . . . 0.0 110.581 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -109.93 161.27 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.55 115.41 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.244 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 99.59 5.14 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.409 0.443 . . . . 0.0 110.84 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -109.32 153.34 24.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.345 -174.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.508 HD11 HG21 ' A' ' 70' ' ' VAL . 12.7 mm -94.56 134.0 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.6 173.013 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.81 159.32 24.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.463 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 94.2 mttt -76.58 140.79 41.19 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.85 -33.15 66.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -50.1 54.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.566 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.5 p-10 -77.49 -31.97 53.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.196 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.535 ' HZ ' ' CE1' ' A' ' 88' ' ' TYR . 48.0 t80 -59.05 -44.75 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.245 177.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.59 -33.87 76.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.047 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.0 -37.67 54.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.028 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.566 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.6 m -88.06 -10.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.417 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . . . -64.08 -21.5 66.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.434 0.635 . . . . 0.0 109.625 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -57.03 -28.46 62.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.052 173.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.417 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 12.6 mt-10 -105.42 19.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.04 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' CE2' HG21 ' A' ' 33' ' ' VAL . 21.7 m-30 -124.99 167.08 15.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.794 -178.134 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.9 m -144.2 116.38 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.828 0.347 . . . . 0.0 110.291 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.05 137.6 56.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 pt -106.36 -23.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.12 172.34 25.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.973 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -105.85 153.32 22.1 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.525 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -117.95 164.42 14.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.562 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 8.8 t -148.58 165.37 31.46 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.687 -173.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.525 HG23 HD21 ' A' ' 58' ' ' LEU . 1.2 p -140.71 114.87 9.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.235 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 m -150.95 119.18 6.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -179.55 -111.21 0.3 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.732 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.512 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 6.7 pt-20 -164.94 58.31 0.13 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.034 0.921 . . . . 0.0 110.051 174.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 78.7 mmm -111.41 -166.95 1.12 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.313 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 p -99.77 143.0 25.64 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 174.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.41 ' HG2' HD12 ' A' ' 52' ' ' LEU . 17.2 Cg_endo -58.65 -53.12 4.24 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.046 2.497 . . . . 0.0 113.903 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.645 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.5 mp -63.12 -39.98 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.975 -175.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -46.75 76.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.434 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -72.3 -26.57 62.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.645 HH21 ' HG ' ' A' ' 52' ' ' LEU . 15.8 mtm180 -67.6 -38.91 84.65 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.438 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.4 mt-10 -60.46 -36.87 79.29 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.339 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 14.2 t70 -64.63 -41.9 95.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.525 HD21 HG23 ' A' ' 45' ' ' THR . 77.4 mt -61.53 -47.94 83.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.612 174.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.438 HD12 ' HA ' ' A' ' 56' ' ' GLU . 39.0 mt -59.74 -42.3 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.434 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.93 -48.61 65.46 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.705 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 8.9 ttpt -59.91 -41.98 92.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.53 -176.384 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.39 91.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.904 0.383 . . . . 0.0 111.19 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.24 -40.43 81.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.233 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.1 -33.94 77.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.867 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -36.82 74.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.59 16.56 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.381 174.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.501 ' HA ' ' CD ' ' A' ' 89' ' ' LYS . . . -63.69 143.11 58.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.201 0.5 . . . . 0.0 111.242 -177.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.502 ' CG ' ' HZ1' ' A' ' 89' ' ' LYS . 61.9 m-20 -90.37 -35.09 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.334 0.588 . . . . 0.0 110.62 -176.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.478 HG21 ' CE2' ' A' ' 37' ' ' TYR . 58.9 t -124.68 135.92 62.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.802 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.544 HG11 HG21 ' A' ' 87' ' ' ILE . 23.9 m -126.03 143.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.609 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.09 108.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -84.39 98.41 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.14 -6.94 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 174.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.668 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 21.4 p -53.97 103.68 0.09 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.524 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.85 -143.35 3.67 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 68.08 -61.15 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.118 0.967 . . . . 0.0 112.109 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.62 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 19.6 m -125.89 91.75 3.45 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -172.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.35 -23.43 40.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.785 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . 0.422 ' C ' HD21 ' A' ' 79' ' ' ASN . 0.2 OUTLIER -55.55 -70.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.06 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . 0.512 ' HB2' ' HA ' ' A' ' 48' ' ' GLU . 18.7 pttm -106.24 6.18 30.5 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.235 0.54 . . . . 0.0 110.05 177.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.62 ' HA ' ' O ' ' A' ' 77' ' ' THR . 10.1 mt 69.62 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.82 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 23.9 t-80 -161.84 23.42 0.12 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.641 -176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.668 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -101.7 163.91 17.52 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.632 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 36.5 p -121.24 -176.94 3.4 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.525 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -153.41 132.72 12.76 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.18 120.39 42.38 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -174.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.544 HG21 HG11 ' A' ' 70' ' ' VAL . 26.1 pt -115.98 152.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.116 -171.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.535 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 62.8 m-85 -138.0 148.82 45.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.527 -174.108 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' HZ1' ' CG ' ' A' ' 68' ' ' ASP . 28.0 mmmt -105.65 169.66 8.35 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.744 ' HB3' ' HZ2' ' A' ' 90' ' ' LYS . 7.8 mtpm? -83.8 150.12 25.98 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.228 0.537 . . . . 0.0 110.903 174.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.417 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 41.5 mttp -75.51 -174.73 2.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.405 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.4 pp -92.22 25.1 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.522 0.677 . . . . 0.0 109.309 178.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.28 98.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.274 -179.033 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.404 ' CD2' ' H ' ' A' ' 94' ' ' HIS . 1.6 p80 -84.93 151.37 24.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.541 175.61 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m170 56.62 84.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.518 0.512 . . . . 0.0 110.031 -173.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -60.95 101.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.43 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -92.48 21.09 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.693 0.758 . . . . 0.0 109.72 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -140.2 127.26 20.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.597 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.4 m80 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.025 -179.416 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.863 0.363 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.95 99.02 8.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.232 0.539 . . . . 0.0 111.441 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 m -131.99 114.72 14.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.24 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.01 145.82 14.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.525 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -89.99 92.09 8.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.79 -27.21 44.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.789 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -122.26 79.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.81 0.814 . . . . 0.0 110.244 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.3 ttp -106.38 -9.41 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.101 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.49 129.78 47.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.761 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.77 122.32 1.36 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.304 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.49 129.81 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.613 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -125.19 31.65 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 0.0 110.259 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.34 111.09 20.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.563 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -76.4 90.12 3.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.291 0.567 . . . . 0.0 110.311 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -106.58 97.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.517 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.96 -76.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.956 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m 55.04 50.7 14.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.764 0.792 . . . . 0.0 110.362 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -103.02 -34.33 8.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.738 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.407 HG22 ' HZ3' ' A' ' 90' ' ' LYS . 2.6 m -74.54 86.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -80.51 -37.12 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.06 -166.04 2.43 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.03 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.54 110.43 0.41 Allowed 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.793 0.683 . . . . 0.0 112.203 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.73 153.69 39.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.261 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.683 HD13 HG22 ' A' ' 70' ' ' VAL . 29.5 mm -87.65 138.0 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.911 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.0 mmt -125.03 160.54 28.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -74.73 160.66 30.47 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.058 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -57.14 -53.1 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -69.78 -37.51 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 111.158 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.09 -37.89 72.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.488 ' HA ' HG21 ' A' ' 33' ' ' VAL . 60.2 t80 -61.41 -41.94 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.597 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.93 -31.79 72.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 110.635 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.64 -41.26 46.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.861 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.488 HG21 ' HA ' ' A' ' 30' ' ' PHE . 33.8 m -79.01 -25.07 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.391 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.58 62.09 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.949 0.404 . . . . 0.0 111.426 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -63.65 -33.13 74.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.416 ' CD ' ' HD1' ' A' ' 95' ' ' HIS . 14.6 mt-10 -107.66 28.62 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.713 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.556 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 11.0 m-85 -135.31 169.99 16.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.19 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -129.17 150.35 50.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -103.64 111.72 24.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.525 0.679 . . . . 0.0 110.326 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.546 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 5.9 pt -82.4 -7.73 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.188 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.96 169.46 12.52 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.032 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -94.69 151.19 19.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.064 0.459 . . . . 0.0 109.943 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.533 HG13 HD23 ' A' ' 58' ' ' LEU . 16.1 pt -121.28 164.19 18.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.905 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t -150.37 166.98 28.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.031 -176.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -125.9 109.57 12.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.218 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -105.73 116.33 31.75 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.42 0.628 . . . . 0.0 110.759 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.84 -126.38 1.54 Allowed Glycine 0 N--CA 1.436 -1.355 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.49 95.79 0.93 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.542 0.686 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.3 mmt -136.02 178.06 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.696 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -79.4 151.64 75.13 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.464 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 4.6 Cg_endo -50.09 -42.89 44.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.913 2.408 . . . . 0.0 113.566 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.68 -42.25 82.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.26 -37.98 84.37 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.047 0.451 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.56 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.15 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' HD2' HD12 ' A' ' 72' ' ' LEU . 35.9 mtm180 -65.25 -45.88 82.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.125 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.532 ' HA ' HD11 ' A' ' 59' ' ' ILE . 33.0 mt-10 -64.88 -33.27 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.273 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.61 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 8.4 t70 -70.19 -31.76 69.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.308 0.575 . . . . 0.0 109.959 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . 0.533 HD23 HG13 ' A' ' 43' ' ' ILE . 81.3 mt -72.52 -41.9 65.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.277 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.532 HD11 ' HA ' ' A' ' 56' ' ' GLU . 48.8 mt -59.91 -41.57 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.61 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 33.9 mtpt -56.11 -49.15 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.726 174.057 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -69.34 -38.76 78.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.351 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.53 89.52 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.216 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.24 -38.67 85.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.079 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.28 -30.59 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.734 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.546 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 33.0 tttp -99.45 -5.71 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.11 42.94 41.86 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.088 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.45 ' HB1' HD11 ' A' ' 87' ' ' ILE . . . -75.12 148.07 40.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.464 ' CG ' ' HZ2' ' A' ' 90' ' ' LYS . 25.7 t70 -103.07 -34.23 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.487 0.66 . . . . 0.0 110.051 -176.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.415 HG23 ' CE2' ' A' ' 37' ' ' TYR . 56.3 t -125.16 139.2 51.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.401 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.683 HG22 HD13 ' A' ' 24' ' ' ILE . 24.1 m -129.65 144.09 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.9 t -123.1 112.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 HD12 ' HD2' ' A' ' 55' ' ' ARG . 96.5 mt -86.88 87.14 7.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.43 0.633 . . . . 0.0 110.873 -176.818 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -79.0 -11.36 60.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.973 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 p -51.01 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.07 69.84 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.527 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -61.71 -40.23 94.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.1 m -151.06 -92.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.768 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -153.38 -56.74 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.809 0.338 . . . . 0.0 110.146 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.05 -49.83 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -81.24 45.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.615 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 pt -98.62 149.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.9 0.857 . . . . 0.0 113.178 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -133.07 85.09 2.19 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 164.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.62 134.53 51.42 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-N 115.209 -0.905 . . . . 0.0 114.108 -166.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.8 p -133.27 146.92 51.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.016 -0.592 . . . . 0.0 109.883 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.447 ' HB3' HD12 ' A' ' 58' ' ' LEU . . . -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.198 -0.314 . . . . 0.0 110.377 178.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.52 112.52 25.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.643 HG21 HG13 ' A' ' 70' ' ' VAL . 26.2 pt -116.39 152.41 18.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 121.578 0.704 . . . . 0.0 112.4 -170.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HD2' ' HB3' ' A' ' 37' ' ' TYR . 5.3 m-85 -130.93 151.59 51.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.24 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -120.88 147.44 45.41 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.53 -1.213 . . . . 0.0 108.317 -171.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.464 ' HZ2' ' CG ' ' A' ' 68' ' ' ASP . 18.6 mttp -64.8 149.15 49.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.286 0.565 . . . . 0.0 111.083 178.298 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.556 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 88.4 mttt -90.73 178.85 5.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.254 176.166 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -94.54 13.2 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.583 0.706 . . . . 0.0 109.964 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 137.5 42.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.007 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -100.96 70.15 1.35 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.976 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . 0.416 ' HD1' ' CD ' ' A' ' 36' ' ' GLU . 3.9 t-160 -83.26 -65.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.966 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -131.24 91.61 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.862 0.363 . . . . 0.0 110.665 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -116.31 124.42 50.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -87.15 127.26 35.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.154 -0.926 . . . . 0.0 109.565 -178.19 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttm . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.0 0.429 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -131.86 120.13 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.227 -177.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -157.37 156.09 31.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.242 -177.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.73 47.44 0.11 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.77 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -89.98 99.85 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HB3' ' HE2' ' A' ' 6' ' ' LYS . 13.8 ptpt -144.1 26.22 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -175.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.8 116.27 23.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.835 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -149.29 114.87 5.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.775 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -167.62 -179.24 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.022 -174.156 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 113.67 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.267 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.92 21.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.707 0.254 . . . . 0.0 111.659 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.23 110.66 19.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.94 113.82 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.209 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -139.2 116.82 11.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.044 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.59 154.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.752 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.55 89.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -153.22 94.12 1.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.492 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.28 126.75 52.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 110.827 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.8 t -125.68 119.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.385 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -112.88 39.66 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.525 0.678 . . . . 0.0 109.369 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.94 109.3 7.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.304 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.452 ' HB1' HG11 ' A' ' 70' ' ' VAL . . . -67.8 119.47 12.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.35 155.75 29.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.447 HD11 HG22 ' A' ' 70' ' ' VAL . 32.6 mm -95.34 127.44 47.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.521 ' SD ' HG21 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -110.52 149.73 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.939 0.399 . . . . 0.0 111.3 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 42.3 mtmt -63.86 155.22 31.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 177.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.79 -50.08 74.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.486 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.0 m -69.09 -41.56 77.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.476 0.655 . . . . 0.0 110.606 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -66.0 -41.71 90.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.583 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.489 ' HA ' HG21 ' A' ' 33' ' ' VAL . 54.2 t80 -61.36 -46.43 90.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.26 68.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.184 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HD3' ' O ' ' A' ' 28' ' ' THR . 11.1 mptt -73.97 -45.02 52.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.018 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' A' ' 30' ' ' PHE . 32.8 m -77.55 -16.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.045 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.45 -20.81 63.54 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.181 0.515 . . . . 0.0 110.492 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -72.11 -31.56 66.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.533 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 12.3 mt-10 -105.39 18.37 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.521 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 7.7 m-85 -131.39 165.19 24.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.269 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.6 m -126.7 125.19 41.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.564 ' HZ2' ' CG ' ' A' ' 86' ' ' ASP . 63.4 tttp -75.11 109.22 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.317 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -80.73 -11.82 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.11 178.62 20.83 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.779 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -106.59 154.15 21.31 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.468 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 19.5 pt -120.61 163.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -153.19 172.82 16.37 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.556 HG21 ' HB1' ' A' ' 54' ' ' ALA . 73.7 p -117.63 115.91 26.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.022 0.439 . . . . 0.0 111.885 -178.287 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 m -119.03 111.23 18.05 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.28 -14.63 0.26 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.362 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 58.83 77.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.338 0.59 . . . . 0.0 111.335 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.13 176.75 4.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -64.46 143.15 98.52 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.81 -46.47 27.37 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.278 2.652 . . . . 0.0 113.836 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.528 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 95.1 mt -71.02 -39.31 72.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.3 . . . . 0.0 110.68 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.88 -41.28 78.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.551 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.69 -33.93 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.008 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.85 -44.45 66.39 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.132 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 26.3 mm-40 -58.73 -37.64 76.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.999 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.617 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 26.6 t70 -72.21 -34.75 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.563 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.67 -41.28 99.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.189 0.518 . . . . 0.0 109.878 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.517 HD13 ' HA ' ' A' ' 56' ' ' GLU . 20.5 mt -66.1 -40.43 87.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.069 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.617 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 30.0 mtpt -59.07 -57.93 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.763 174.362 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.1 -36.78 84.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.921 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.607 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.66 -43.85 97.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.935 0.398 . . . . 0.0 110.822 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -42.84 99.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.706 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.65 -34.07 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.512 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.92 44.68 3.54 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.871 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.26 143.95 25.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.401 ' HB3' ' HE2' ' A' ' 37' ' ' TYR . 12.4 t70 -90.92 -42.2 10.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.521 HG21 ' SD ' ' A' ' 25' ' ' MET . 98.4 t -125.54 139.48 51.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.831 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.606 HG12 HG23 ' A' ' 87' ' ' ILE . 31.2 m -125.83 143.27 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.77 122.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.442 . . . . 0.0 110.232 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.52 89.73 7.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -71.6 -47.66 53.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.813 174.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.48 ' HA ' ' H ' ' A' ' 84' ' ' THR . 29.9 m 55.31 -159.35 0.2 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.628 170.284 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.94 119.38 3.29 Favored Glycine 0 N--CA 1.432 -1.615 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.793 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -59.34 -23.66 62.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.253 0.549 . . . . 0.0 110.804 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.7 p -84.91 69.79 10.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.294 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.686 ' HA ' HG21 ' A' ' 81' ' ' ILE . 31.3 tt0 -45.4 -41.36 9.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.623 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.25 -26.12 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -137.88 40.78 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.934 0.397 . . . . 0.0 110.999 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.686 HG21 ' HA ' ' A' ' 78' ' ' GLU . 12.4 pt -60.78 127.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -86.64 -9.22 56.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.225 167.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.522 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . 66.22 135.44 0.03 OUTLIER Glycine 0 C--O 1.226 -0.388 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.165 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.48 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -154.25 151.54 29.27 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 122.555 -0.379 . . . . 0.0 110.723 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.468 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 141.81 17.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 171.167 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.564 ' CG ' ' HZ2' ' A' ' 39' ' ' LYS . 1.8 t70 -114.29 120.04 39.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.607 HG21 ' HB1' ' A' ' 62' ' ' ALA . 24.5 pt -118.12 153.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.8 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.417 ' HB3' ' HB3' ' A' ' 37' ' ' TYR . 19.5 m-85 -135.42 149.97 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.2 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -111.26 146.58 36.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.25 133.73 50.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.773 0.321 . . . . 0.0 110.868 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.503 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.9 mttt -77.74 -174.4 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.821 0.819 . . . . 0.0 111.622 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 pp -85.7 -8.76 57.99 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.216 167.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' OE2' ' HD3' ' A' ' 91' ' ' LYS . 45.0 mt-10 -85.25 3.27 40.25 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.841 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.434 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 45.4 t60 -136.37 121.34 18.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.623 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -113.35 154.39 26.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -177.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 76.7 t60 69.7 125.75 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 169.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -129.16 129.59 45.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 167.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -77.39 129.55 35.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.682 0.277 . . . . 0.0 110.882 -174.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.482 -0.77 . . . . 0.0 109.711 173.302 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.088 0.471 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -119.44 97.49 5.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.188 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -74.01 -25.56 59.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.515 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.23 135.88 2.56 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.658 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -103.31 113.35 26.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -75.74 112.1 11.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.141 0.496 . . . . 0.0 111.499 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.7 m -128.95 140.91 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.989 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.3 mtm -95.82 19.46 11.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 0.0 110.591 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -100.61 107.4 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.205 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.27 54.57 0.25 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.674 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.96 128.78 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.632 0.253 . . . . 0.0 110.732 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 ' HB2' ' HE1' ' A' ' 14' ' ' PHE . 6.8 mp -87.23 -16.44 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.145 0.498 . . . . 0.0 109.81 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.16 83.87 0.15 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.484 175.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.493 ' HE1' ' HB2' ' A' ' 12' ' ' LEU . 10.1 p90 -155.57 -164.28 1.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.591 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.06 106.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.279 0.561 . . . . 0.0 111.688 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.1 m -87.52 160.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.413 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -109.26 13.94 24.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -73.93 101.09 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.351 -173.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.38 138.9 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -156.93 -79.86 0.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.608 0.242 . . . . 0.0 110.79 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.44 162.24 1.13 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HG12 ' A' ' 70' ' ' VAL . . . -54.01 103.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.81 0.694 . . . . 0.0 112.106 -176.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -141.37 167.11 22.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.78 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.67 HD11 HG21 ' A' ' 70' ' ' VAL . 31.4 mm -77.89 142.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.69 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -120.9 159.66 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.83 154.27 42.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.415 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -67.64 -35.28 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.199 0.523 . . . . 0.0 110.996 -174.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 p -70.65 -46.02 64.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.025 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.444 ' O ' HG12 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -66.76 -30.67 70.94 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.084 175.959 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.519 ' HA ' HG23 ' A' ' 33' ' ' VAL . 65.9 t80 -57.6 -44.3 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.8 -31.13 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 110.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -83.73 -33.24 25.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.609 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 26.4 m -82.67 -10.88 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 122.372 -0.205 . . . . 0.0 110.528 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -14.38 17.77 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 121.368 0.604 . . . . 0.0 110.294 172.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -90.15 -32.02 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.924 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.25 -4.07 27.81 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.609 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 15.6 m-85 -120.11 176.97 5.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.153 0.502 . . . . 0.0 111.484 -174.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.4 m -141.81 162.09 36.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.338 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -108.78 109.81 21.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 pt -85.01 -3.21 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.459 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.07 169.6 11.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.951 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -106.45 150.67 25.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.42 HG13 ' HB1' ' A' ' 85' ' ' ALA . 24.0 pt -121.95 165.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.548 ' HB3' HG23 ' A' ' 84' ' ' THR . 1.4 p -147.31 172.16 14.31 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.804 0.335 . . . . 0.0 111.533 -177.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -96.55 129.68 43.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -145.5 135.31 23.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.372 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.68 -13.3 17.85 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.838 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.38 79.56 0.19 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.314 0.646 . . . . 0.0 111.966 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' MET . . . . . 0.614 ' HA ' ' HE3' ' A' ' 49' ' ' MET . 21.8 mmt -102.4 -164.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.532 178.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -83.39 150.35 60.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.86 -52.59 7.92 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.491 2.794 . . . . 0.0 113.985 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.29 -26.52 58.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.63 0.252 . . . . 0.0 111.232 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.06 -34.15 57.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.297 0.57 . . . . 0.0 110.057 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.2 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.916 175.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -63.11 -42.71 99.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.932 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 19.3 mm-40 -54.4 -42.66 70.7 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.662 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.677 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.4 t70 -63.27 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.429 . . . . 0.0 109.98 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.9 mt -66.32 -47.15 74.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.212 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.55 -43.84 96.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.542 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 33.5 mmtp -73.3 -40.25 64.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.848 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.5 ttpt -61.64 -39.23 90.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.2 85.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.67 -36.92 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.973 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 57.2 mm-40 -56.16 -40.77 74.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.667 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -87.47 -25.65 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.349 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.78 86.37 1.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.604 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.33 160.45 28.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -104.38 -36.03 7.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.493 0.663 . . . . 0.0 110.264 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.55 142.07 43.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.798 HG13 HG21 ' A' ' 87' ' ' ILE . 27.8 m -124.23 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.82 108.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -74.87 90.43 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.683 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -2.34 46.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.292 178.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.476 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 60.0 m -60.28 104.51 0.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.732 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.96 -77.03 0.66 Allowed Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -80.35 68.02 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.849 0.833 . . . . 0.0 109.999 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.769 ' HA ' HG23 ' A' ' 81' ' ' ILE . 13.3 m -92.81 80.84 4.67 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.434 -177.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.63 -48.82 0.07 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.538 171.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -116.91 -79.89 0.6 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.521 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -81.84 51.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.486 0.66 . . . . 0.0 110.761 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.769 HG23 ' HA ' ' A' ' 77' ' ' THR . 28.9 pt -58.35 117.24 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.653 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -152.44 25.91 0.59 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.476 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -80.97 -174.01 48.21 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.204 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' THR . . . . . 0.548 HG23 ' HB3' ' A' ' 44' ' ' SER . 41.1 p -125.08 177.19 6.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.049 0.452 . . . . 0.0 111.032 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.42 ' HB1' HG13 ' A' ' 43' ' ' ILE . . . -144.55 132.06 20.95 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 168.051 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -102.44 117.26 34.34 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.798 HG21 HG13 ' A' ' 70' ' ' VAL . 19.8 pt -107.67 151.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-O 121.224 0.535 . . . . 0.0 110.681 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' TYR . . . . . 0.421 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 93.5 m-85 -136.28 143.23 44.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.29 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -111.2 139.06 46.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.05 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -75.8 141.42 42.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -72.1 -172.4 0.87 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.161 0.505 . . . . 0.0 111.308 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.12 -7.61 22.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.459 -169.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.05 112.05 4.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -152.77 132.96 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.394 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -121.49 168.25 11.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -102.39 151.51 22.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -131.1 -68.88 0.65 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.572 174.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -142.09 122.64 14.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.141 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.2 p80 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.347 178.063 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.698 0.285 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -143.89 156.45 44.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.203 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.754 HD13 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -73.33 124.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.071 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.409 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 10.3 tpt -104.98 147.68 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.178 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -56.92 133.26 54.53 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -53.65 -38.56 64.23 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.327 0.392 . . . . 0.0 111.639 -174.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m -65.22 -52.38 55.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.323 . . . . 0.0 111.223 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.63 -39.41 88.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.135 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' HB2' ' HB3' ' A' ' 25' ' ' MET . 38.8 t80 -52.46 -48.45 65.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.374 0.607 . . . . 0.0 110.482 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -78.7 -31.33 46.51 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.885 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.17 -19.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.012 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.88 -21.87 63.72 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.154 0.502 . . . . 0.0 110.918 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.9 t -65.82 -24.1 66.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.191 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -119.94 32.09 6.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.438 0.637 . . . . 0.0 110.039 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.53 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.9 m-85 -135.08 161.51 35.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.463 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -121.0 152.66 38.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.945 -171.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -97.86 119.9 37.29 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.093 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 pt -101.14 -4.09 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.77 165.65 11.43 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.276 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -105.61 146.82 29.18 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.407 HD13 ' HB2' ' A' ' 62' ' ' ALA . 22.0 pt -112.63 164.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.638 ' HB3' HG22 ' A' ' 84' ' ' THR . 4.1 p -151.12 172.89 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 112.406 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.59 HG21 ' HB1' ' A' ' 54' ' ' ALA . 47.9 p -123.58 135.28 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.354 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -128.25 149.62 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.111 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.37 -103.83 3.04 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.381 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.7 128.19 3.29 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.353 -0.923 . . . . 0.0 109.659 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.566 ' HB2' HD11 ' A' ' 81' ' ' ILE . 84.4 mmm -141.87 169.66 17.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -86.73 143.32 35.48 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.137 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.683 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 12.1 Cg_endo -56.81 -55.93 2.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.288 1.992 . . . . 0.0 112.75 -172.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.81 -32.4 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.74 0.305 . . . . 0.0 111.064 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 50' ' ' SER . 38.4 t70 -68.38 -39.7 81.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.022 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.59 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -69.07 -37.74 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.682 176.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.683 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 38.0 mtt180 -57.26 -57.62 11.81 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.2 mt-10 -60.85 -35.89 77.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 -176.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.973 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 29.4 t70 -66.57 -42.81 86.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.165 177.625 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD11 HG23 ' A' ' 45' ' ' THR . 24.1 mt -65.53 -46.07 81.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.038 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.41 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.545 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.973 ' HE3' ' HA ' ' A' ' 57' ' ' ASP . 23.2 pttp -68.27 -37.49 80.75 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.947 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.8 ttpt -63.67 -44.53 93.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.853 0.461 . . . . 0.0 111.219 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.513 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -62.64 -45.24 93.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.81 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.226 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.64 -35.93 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.339 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -83.22 4.64 25.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.422 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 80.97 66.31 1.63 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.177 173.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.46 158.41 20.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 110.238 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -40.48 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.506 0.67 . . . . 0.0 109.67 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -126.47 137.76 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.322 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.754 HG23 HD13 ' A' ' 24' ' ' ILE . 27.5 m -127.21 144.17 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.76 127.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.633 0.254 . . . . 0.0 110.503 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.35 88.57 5.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -70.66 -39.16 73.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.466 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.448 ' HB2' ' H ' ' A' ' 84' ' ' THR . 44.1 m -153.85 -176.65 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . 96.34 4.96 59.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.943 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 29.66 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.14 0.495 . . . . 0.0 110.083 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.502 ' HB ' HG22 ' A' ' 81' ' ' ILE . 11.2 m -76.75 -81.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' H ' HG23 ' A' ' 81' ' ' ILE . 3.7 tm-20 -176.81 -93.3 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 49' ' ' MET . 2.7 t-20 -102.84 -48.7 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.908 -0.495 . . . . 0.0 111.068 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.78 44.04 0.36 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.295 0.569 . . . . 0.0 111.356 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.0 pt -85.42 117.87 31.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.868 0.842 . . . . 0.0 113.106 -175.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -116.43 59.79 0.74 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.486 ' HA3' ' CA ' ' A' ' 75' ' ' GLY . . . -95.45 174.59 32.31 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.281 -167.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.1 p -137.69 139.79 40.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.123 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.13 54.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.48 ' OD2' ' HE1' ' A' ' 88' ' ' TYR . 33.1 t70 -106.22 122.14 45.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.513 HG21 ' HB1' ' A' ' 62' ' ' ALA . 26.0 pt -116.47 153.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.162 0.506 . . . . 0.0 111.936 -171.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.48 ' HE1' ' OD2' ' A' ' 86' ' ' ASP . 20.3 m-85 -133.72 149.64 51.49 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.563 0.696 . . . . 0.0 111.032 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 66' ' ' GLY . 54.2 tptt -113.56 141.49 47.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.253 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 3.9 ttmp? -67.36 139.63 57.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.677 0.275 . . . . 0.0 110.981 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 98.6 mttt -81.82 179.66 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.167 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HB2' ' OE2' ' A' ' 93' ' ' GLU . 74.3 mt -90.65 -8.95 48.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE2' ' HB2' ' A' ' 92' ' ' LEU . 2.4 mp0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.808 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -128.8 152.44 48.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 HG23 ' A' ' 70' ' ' VAL . 25.7 mm -84.8 129.64 37.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mmt -109.32 152.08 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.15 0.5 . . . . 0.0 111.576 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -72.72 170.21 15.04 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.718 172.794 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -67.49 -41.36 84.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.534 0.207 . . . . 0.0 110.972 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 p -70.47 -45.31 65.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.978 0.418 . . . . 0.0 111.205 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.6 -42.9 99.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HA ' HG22 ' A' ' 33' ' ' VAL . 76.4 t80 -60.92 -42.19 97.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 111.093 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -80.77 -38.99 27.6 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.122 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.3 m -81.37 -25.05 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.472 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.79 -25.93 61.24 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.044 0.449 . . . . 0.0 111.032 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 t -61.4 -41.23 96.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.813 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' C ' ' HD1' ' A' ' 37' ' ' TYR . 16.9 mt-10 -97.38 24.73 6.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.359 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HD1' ' C ' ' A' ' 36' ' ' GLU . 3.5 m-30 -124.88 170.82 10.7 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -143.61 125.02 14.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.016 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -69.05 127.53 33.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.124 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.1 pt -115.33 4.76 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 112.001 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 164.77 12.18 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.812 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -105.25 153.54 21.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.107 0.479 . . . . 0.0 110.46 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 85' ' ' ALA . 15.9 pt -114.13 164.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 20.8 t -146.42 165.74 28.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 0.0 111.209 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 0.6 OUTLIER -136.36 149.06 48.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.737 -178.114 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t 179.99 155.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.708 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.531 ' O ' ' HD2' ' A' ' 80' ' ' LYS . . . 150.26 -109.62 0.44 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -167.4 31.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.457 0.646 . . . . 0.0 110.017 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.444 ' HA ' ' CE ' ' A' ' 49' ' ' MET . 10.9 mmt -91.24 168.14 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.072 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -66.36 143.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.725 ' HA ' HD11 ' A' ' 81' ' ' ILE . 35.6 Cg_endo -63.92 -28.87 67.03 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 121.898 1.732 . . . . 0.0 112.889 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -76.01 -42.58 47.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.158 173.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.12 -39.75 93.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.59 ' HB3' HD12 ' A' ' 81' ' ' ILE . . . -71.15 -31.28 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -67.26 -49.46 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HA ' HD12 ' A' ' 59' ' ' ILE . 11.6 pt-20 -65.59 -26.91 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.678 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.71 -44.08 87.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.36 -49.84 70.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.831 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.3 mt -56.89 -44.1 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.668 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -73.2 -33.78 65.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.659 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 64' ' ' GLU . 18.9 mtpp -72.08 -40.28 68.36 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.178 0.513 . . . . 0.0 112.167 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.11 172.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.53 -32.89 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 61' ' ' LYS . 21.4 mt-10 -61.04 -42.91 99.38 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.746 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -79.19 -14.79 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 110.709 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 79.91 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.002 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -118.57 146.11 44.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.918 0.389 . . . . 0.0 110.19 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.47 -51.26 4.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.408 ' CG2' ' HE2' ' A' ' 37' ' ' TYR . 44.7 t -127.91 141.03 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.867 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.652 HG12 HG22 ' A' ' 87' ' ' ILE . 27.0 m -119.38 143.17 31.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.5 t -119.45 105.73 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.09 93.09 5.1 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -67.12 -33.16 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.222 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.2 p 60.67 161.59 0.05 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.797 1.239 . . . . 0.0 112.613 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . -88.19 -37.69 7.6 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.42 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 60.58 32.66 20.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 122.35 1.071 . . . . 0.0 108.783 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.773 ' HB ' ' HA ' ' A' ' 81' ' ' ILE . 3.2 m -89.26 -31.98 17.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.978 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 71.37 -54.02 0.67 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.43 0.692 . . . . 0.0 112.239 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -52.26 -72.35 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.511 0.724 . . . . 0.0 111.965 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 53.0 pttt -139.46 4.84 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.451 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.773 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 5.8 mt 62.38 155.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.835 -175.27 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' THR . 8.8 t-160 -158.6 27.2 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.665 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -103.09 -163.05 25.68 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.988 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 16.0 p -137.95 179.28 6.53 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.372 0.606 . . . . 0.0 112.095 -171.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -154.88 133.56 12.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.553 169.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -112.17 127.17 55.86 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.652 HG22 HG12 ' A' ' 70' ' ' VAL . 30.4 pt -115.95 153.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-O 121.3 0.571 . . . . 0.0 112.15 -170.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -131.48 145.73 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.865 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -108.99 165.54 11.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.0 142.5 38.23 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.43 177.43 1.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 0.0 110.953 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 93' ' ' GLU . 4.2 pp -86.07 -24.28 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HG3' HD12 ' A' ' 92' ' ' LEU . 31.7 mt-10 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.601 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -146.58 179.62 7.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.579 HD13 HG23 ' A' ' 70' ' ' VAL . 12.3 mm -85.34 146.35 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.073 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -128.6 164.01 23.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.597 0.237 . . . . 0.0 110.774 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.9 140.15 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.725 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 62.3 mttp -71.92 -25.77 62.03 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.2 m -65.36 -50.04 67.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.855 0.36 . . . . 0.0 110.355 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.95 -40.26 87.49 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' HB3' ' HA ' ' A' ' 27' ' ' LYS . 62.5 t80 -54.33 -47.3 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.338 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.75 -33.3 75.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.996 0.427 . . . . 0.0 111.157 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -29.47 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.002 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 30' ' ' PHE . 27.6 m -86.44 -19.28 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.829 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.43 -26.08 52.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.328 0.585 . . . . 0.0 110.344 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -59.62 -42.39 92.56 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.252 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' C ' ' HD2' ' A' ' 91' ' ' LYS . 5.2 mt-10 -120.47 37.82 4.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.983 0.897 . . . . 0.0 110.886 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.11 -176.46 3.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.15 173.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.3 m -136.51 135.36 38.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.116 0.484 . . . . 0.0 112.038 -174.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.2 122.22 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.393 172.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG13 HG13 ' A' ' 87' ' ' ILE . 15.7 pt -116.01 5.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 0.0 111.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.27 175.05 18.3 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.376 172.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 m -105.57 151.63 24.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.8 pt -124.5 164.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.587 ' HB3' HG22 ' A' ' 84' ' ' THR . 10.3 p -142.07 179.83 6.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.825 0.345 . . . . 0.0 111.508 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.454 HG21 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -126.8 131.4 51.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.641 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -124.28 162.15 24.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.944 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.7 -25.29 21.97 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.375 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 29.3 mt-10 62.69 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.46 0.648 . . . . 0.0 111.618 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.6 mtm -119.19 -177.6 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.797 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 m -59.74 146.49 80.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -58.85 -40.92 67.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.606 2.204 . . . . 0.0 112.864 -172.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.642 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.2 tt -67.26 -41.71 85.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -42.38 98.94 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.05 0.452 . . . . 0.0 110.302 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' CB ' HD11 ' A' ' 81' ' ' ILE . . . -65.99 -34.85 79.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.848 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.642 HH21 ' HG ' ' A' ' 52' ' ' LEU . 23.5 mtm180 -60.15 -49.28 78.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.009 175.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 60.5 mt-10 -62.02 -34.07 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.726 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 25.1 t70 -65.74 -45.55 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.22 -51.12 67.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.852 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -49.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.186 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -73.19 -32.16 64.65 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.726 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.8 ttpt -67.42 -43.38 81.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 109.997 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 67' ' ' ALA . . . -60.35 -50.68 72.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.168 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.03 -43.12 81.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.165 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.66 -27.74 69.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.649 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -94.33 5.31 52.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.128 0.49 . . . . 0.0 110.071 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 90.53 11.91 61.74 Favored Glycine 0 C--O 1.225 -0.464 0 CA-C-N 115.716 -0.675 . . . . 0.0 114.043 171.224 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.626 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -67.3 146.73 53.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.444 0.622 . . . . 0.0 111.927 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' OD1' ' HD2' ' A' ' 89' ' ' LYS . 2.1 m-20 -104.38 -43.92 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.2 t -119.87 137.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.072 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.635 HG12 HG22 ' A' ' 87' ' ' ILE . 35.2 m -116.46 144.52 23.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -134.79 125.03 45.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.744 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.69 94.68 9.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.058 0.456 . . . . 0.0 110.107 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 p -85.23 -30.55 23.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.231 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -84.75 -150.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.931 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.42 -151.78 8.46 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.7 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.629 ' HG3' HG21 ' A' ' 81' ' ' ILE . 34.7 tt0 -178.35 105.68 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 20.9 m -62.28 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.507 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 27.2 tt0 173.56 -83.93 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.107 0 O-C-N 123.289 0.368 . . . . 0.0 110.728 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -65.02 -32.94 74.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 45.8 pttt -138.13 139.16 39.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 76' ' ' GLN . 28.6 pt -152.49 151.36 11.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -123.07 33.15 5.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.815 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.71 152.6 30.9 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.606 -173.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 44' ' ' SER . 73.1 p -123.09 135.43 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.52 133.21 56.05 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -101.08 127.82 47.44 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.635 HG22 HG12 ' A' ' 70' ' ' VAL . 22.6 pt -115.33 152.67 16.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.624 0.726 . . . . 0.0 112.366 -169.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -126.25 149.54 49.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.337 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB2' HD13 ' A' ' 40' ' ' ILE . 38.2 tptt -115.97 140.64 49.05 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.983 -176.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' HE3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -71.71 134.11 46.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.409 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 76.8 mttt -79.56 172.94 13.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.613 0.72 . . . . 0.0 110.849 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -101.73 3.58 39.74 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 172.32 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.566 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 25.3 tt0 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.914 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.607 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.637 0.256 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -132.66 157.98 43.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.147 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.679 HD13 HG23 ' A' ' 70' ' ' VAL . 25.8 mm -85.24 144.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.1 mmm -128.35 155.53 44.52 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -71.78 154.46 41.29 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.543 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -51.83 -52.78 46.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.541 0.525 . . . . 0.0 112.162 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 55.4 m -63.98 -50.47 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 111.022 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -69.77 -35.42 74.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' HA ' HG22 ' A' ' 33' ' ' VAL . 74.4 t80 -63.5 -41.82 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.261 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.39 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 0.0 110.864 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.3 mptt -81.14 -39.47 25.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.2 m -84.55 -9.97 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.555 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.8 68.39 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.502 0.668 . . . . 0.0 109.852 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -76.85 -28.4 55.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.629 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -93.85 -1.73 54.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.209 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.98 -178.71 3.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m -143.99 125.66 15.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' A' ' 41' ' ' GLY . 21.9 ttpt -79.3 128.6 33.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 0.0 111.042 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.08 -14.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' A' ' 39' ' ' LYS . . . 150.82 162.74 10.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.856 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.89 148.64 27.37 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 62' ' ' ALA . 28.6 pt -116.54 164.34 12.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.582 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.7 p -153.03 173.21 15.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.924 0.393 . . . . 0.0 111.453 -177.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.703 HG23 HD21 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -135.5 138.72 43.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.21 177.476 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.9 m -144.49 98.47 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.458 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.43 -137.38 3.26 Favored Glycine 0 N--CA 1.435 -1.411 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.893 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -156.05 95.97 1.67 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.677 0.751 . . . . 0.0 111.666 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.582 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 88.6 mmm -132.67 177.95 7.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.609 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 15.0 m -65.46 143.7 98.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.09 -47.36 20.57 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.478 2.119 . . . . 0.0 113.519 -174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tt -75.26 -37.59 60.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 50' ' ' SER . 37.1 t70 -67.34 -39.66 85.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.982 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 49' ' ' MET . . . -71.45 -33.46 69.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.647 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 55' ' ' ARG . 37.3 mtm180 -65.92 -48.74 70.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -60.67 -35.12 75.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 29.8 t70 -63.31 -43.34 98.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.972 0.415 . . . . 0.0 109.96 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.703 HD21 HG23 ' A' ' 45' ' ' THR . 23.1 mt -64.43 -52.31 58.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.3 mt -60.78 -48.35 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.3 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -69.39 -33.88 73.69 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.762 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -69.8 -44.19 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.763 0.315 . . . . 0.0 110.866 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.82 -42.27 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 0.0 110.222 172.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -58.62 -42.34 87.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.057 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.06 -37.14 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.76 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -67.16 -25.67 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.3 56.27 0.46 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.676 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -106.88 143.63 34.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.801 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -97.29 -40.86 8.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.413 0.625 . . . . 0.0 109.688 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.77 137.24 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.39 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.679 HG23 HD13 ' A' ' 24' ' ' ILE . 19.2 m -127.63 144.46 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.309 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.9 t -131.56 124.05 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.236 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.34 105.37 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.691 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -0.7 55.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.255 0.55 . . . . 0.0 111.07 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -61.39 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.637 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.02 76.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.158 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -127.16 -87.85 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.883 0.373 . . . . 0.0 110.736 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t 177.28 122.96 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -24.25 -63.53 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -56.05 -34.48 65.94 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -168.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -134.01 45.38 2.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.8 pt -49.14 117.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.821 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.601 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.0 t-160 -125.78 61.86 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.377 -1.283 . . . . 0.0 107.643 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.9 169.68 21.21 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.537 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 44' ' ' SER . 17.3 p -125.28 163.61 22.14 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.544 0.338 . . . . 0.0 110.207 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -143.45 132.67 23.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 171.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.07 119.9 40.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.182 0.515 . . . . 0.0 109.954 -173.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.66 HG22 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -116.88 153.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.145 -171.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.94 148.87 48.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.762 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -107.19 153.02 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.674 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -73.63 145.96 44.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -83.65 -168.15 2.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.309 0.576 . . . . 0.0 110.85 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 pp -110.42 6.8 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.724 179.476 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -112.06 164.05 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.529 . . . . 0.0 111.51 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mm -95.64 139.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.665 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mmt -135.27 156.45 48.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 111.067 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.77 -174.76 4.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.867 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 9.1 tmtt? -82.44 -34.24 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 40.4 p -66.15 -49.72 66.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.964 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.88 -38.84 89.81 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.036 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 t80 -56.49 -46.94 80.21 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.874 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.24 -32.23 72.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.306 0.575 . . . . 0.0 110.737 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.4 mptt -83.77 -30.12 26.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.811 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.2 m -88.14 -24.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.553 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.78 -22.04 63.69 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 0.0 110.982 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -56.28 -32.0 64.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.641 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.34 18.96 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.637 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.7 m-85 -127.39 168.59 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 91' ' ' LYS . 92.0 m -145.82 131.07 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.051 -177.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -75.93 112.09 11.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -91.31 -16.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.687 0.279 . . . . 0.0 111.511 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.11 -179.18 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -106.95 153.73 22.12 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.418 HG13 HD22 ' A' ' 58' ' ' LEU . 28.1 pt -129.14 163.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 t -152.26 175.09 13.0 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.674 HG21 ' HB1' ' A' ' 54' ' ' ALA . 6.3 p -102.27 140.2 36.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.5 m -122.43 108.04 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.262 0.553 . . . . 0.0 110.581 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.56 -111.78 0.79 Allowed Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 179.99 101.77 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.811 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.5 mmt -132.52 164.25 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.762 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.62 154.33 93.47 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.469 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.9 Cg_endo -47.39 -55.41 3.97 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.595 2.864 . . . . 0.0 114.022 -172.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 mp -68.03 -32.18 72.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.617 0.246 . . . . 0.0 111.248 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.25 -39.19 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.108 0.48 . . . . 0.0 109.941 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.13 -32.21 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.19 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 98.0 mtt180 -61.82 -47.51 84.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.692 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 40.8 mm-40 -57.13 -40.39 77.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.051 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.3 t70 -62.79 -43.69 98.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.474 0.654 . . . . 0.0 109.728 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.418 HD22 HG13 ' A' ' 43' ' ' ILE . 91.6 mt -64.22 -49.93 70.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.53 -46.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.252 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -72.99 -34.88 66.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.427 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.1 ttpt -67.39 -41.61 84.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.683 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 43' ' ' ILE . . . -66.12 -37.9 86.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.404 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.44 -42.69 96.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.704 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.42 -38.09 79.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -79.56 -23.36 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.25 44.21 3.06 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.772 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.97 33.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.496 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 3.3 m-20 -84.1 -44.05 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.494 0.664 . . . . 0.0 110.189 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.25 140.07 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.997 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.617 HG12 HG22 ' A' ' 87' ' ' ILE . 33.3 m -123.24 143.15 37.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.0 t -122.16 109.26 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -77.33 84.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.193 0.521 . . . . 0.0 110.536 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -75.38 -39.55 59.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.83 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.889 ' HA ' ' H ' ' A' ' 84' ' ' THR . 46.1 m 57.73 -164.64 0.17 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.505 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.43 -103.62 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.912 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -131.96 -3.31 3.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.8 t 178.52 127.09 0.06 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.534 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.43 2.55 0.4 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.625 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -48.57 -50.99 29.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.827 0.451 . . . . 0.0 111.229 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -106.09 11.72 31.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 82' ' ' HIS . 4.7 mt 61.78 -135.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.695 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.42 ' H ' HG22 ' A' ' 81' ' ' ILE . 36.4 t-80 66.67 91.4 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.922 0.889 . . . . 0.0 109.485 -171.278 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.67 134.96 12.52 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.656 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.889 ' H ' ' HA ' ' A' ' 74' ' ' SER . 1.6 m -128.91 154.81 46.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.98 133.56 17.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 111.576 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.16 120.48 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.617 HG22 HG12 ' A' ' 70' ' ' VAL . 28.6 pt -111.55 153.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.211 0.529 . . . . 0.0 111.945 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -137.51 141.89 41.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.265 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -110.73 162.33 14.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.458 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -77.02 144.6 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 34.0 mtpt -86.16 -172.14 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.686 0.755 . . . . 0.0 111.699 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -95.34 -20.1 19.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.057 175.098 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' OE2' ' HG ' ' A' ' 92' ' ' LEU . 14.2 mp0 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.726 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.301 0.572 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -129.18 161.84 29.19 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.703 HD13 HG23 ' A' ' 70' ' ' VAL . 39.6 mm -83.5 143.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.441 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 tpt -122.75 137.01 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.68 147.49 32.65 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 173.268 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.89 -45.62 74.7 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -66.77 -38.56 86.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.15 -41.03 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' HG22 ' A' ' 33' ' ' VAL . 45.3 t80 -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.3 -32.75 71.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 0.0 111.133 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -83.36 -32.45 26.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.524 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.7 m -85.14 -14.23 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.852 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.56 -27.13 64.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.275 0.56 . . . . 0.0 110.22 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -66.13 -37.66 86.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.429 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -102.25 18.66 20.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.33 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.609 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 15.2 m-85 -132.63 167.53 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 111.585 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.6 m -130.13 152.77 49.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.202 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -93.13 122.71 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.249 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 89' ' ' LYS . 12.2 pt -111.22 -2.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.922 0.392 . . . . 0.0 110.806 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.1 170.04 13.04 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.731 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 86' ' ' ASP . 4.0 m -105.24 151.42 24.12 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.11 164.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.497 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -158.3 175.75 13.34 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.981 0.42 . . . . 0.0 111.677 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -161.28 162.92 31.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.88 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 m -151.01 144.23 24.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.157 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.52 -122.34 1.09 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.528 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -155.97 40.34 0.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.694 0.759 . . . . 0.0 109.277 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 mmt -88.35 -168.92 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.943 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -99.38 149.21 35.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.4 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -53.6 -46.4 34.04 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.912 2.408 . . . . 0.0 113.343 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.51 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.6 mp -75.28 -34.14 61.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.914 0.388 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.98 -46.14 82.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.09 71.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.677 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.51 HH21 ' HG ' ' A' ' 52' ' ' LEU . 37.5 mtm180 -64.49 -48.04 76.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.097 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -62.21 -35.25 78.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.13 -45.61 84.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.84 -49.68 50.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.92 -41.45 90.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.266 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.0 mmtm -73.58 -29.59 62.51 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 64' ' ' GLU . 21.6 mtpp -75.13 -39.27 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.392 0.615 . . . . 0.0 111.464 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.55 -44.79 81.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.252 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.15 -34.88 79.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.273 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 22.7 mt-10 -64.74 -22.1 66.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.141 174.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -87.77 -12.52 44.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.55 9.36 58.94 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.727 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -61.53 146.5 48.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.404 0.621 . . . . 0.0 111.951 -176.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.513 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 3.3 m-20 -99.32 -45.34 5.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.197 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -122.7 138.72 51.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.913 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.703 HG23 HD13 ' A' ' 24' ' ' ILE . 34.9 m -122.14 143.03 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.826 0.346 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.38 104.99 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.4 96.17 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.441 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -72.91 -43.41 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.566 ' HA ' ' H ' ' A' ' 84' ' ' THR . 86.7 p 54.24 -171.78 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.552 -1.204 . . . . 0.0 113.794 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.92 106.88 0.66 Allowed Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -79.79 88.32 5.24 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.114 0.959 . . . . 0.0 109.873 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 80' ' ' LYS . 8.7 m -135.2 -95.5 0.26 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.811 -1.541 . . . . 0.0 110.623 168.517 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -179.65 -70.55 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.79 -51.01 3.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 111.109 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 77' ' ' THR . 19.9 ptmt -77.83 45.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.493 0.664 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.97 125.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.691 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -96.66 95.55 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.34 142.28 38.81 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.566 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -146.55 141.63 27.18 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.776 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.17 14.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.765 0.317 . . . . 0.0 110.526 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HA ' HG23 ' A' ' 42' ' ' THR . 36.8 t70 -103.1 121.27 42.26 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.604 HG22 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -114.95 153.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.52 0.676 . . . . 0.0 112.373 -167.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -130.75 152.62 49.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.738 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.513 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 46.5 tptt -119.49 142.17 48.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.473 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -65.85 141.16 58.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.629 0.252 . . . . 0.0 110.587 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.609 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.3 mttt -77.74 178.76 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.449 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.57 -4.76 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.166 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.288 177.213 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 121.171 0.51 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -104.97 161.11 14.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.74 HD13 HG23 ' A' ' 70' ' ' VAL . 26.3 mm -92.63 133.21 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 175.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.408 ' SD ' HG13 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -113.86 136.02 53.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -69.37 158.6 34.76 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.596 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -62.66 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -63.83 -38.07 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.41 . . . . 0.0 110.712 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.41 -32.82 54.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.743 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' HA ' HG22 ' A' ' 33' ' ' VAL . 84.9 t80 -59.87 -49.66 76.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.522 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.67 -31.08 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 0.0 110.588 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -80.45 -37.78 31.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.711 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.586 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 33.0 m -85.21 -11.8 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.334 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.21 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.571 0.7 . . . . 0.0 110.035 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.5 t -87.51 -12.27 46.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.53 0.39 8.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.673 -175.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.586 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 77.1 m-85 -130.68 162.08 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.4 m -131.92 129.95 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 111.745 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 39.4 ttmt -72.63 129.76 39.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.354 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' HE3' ' A' ' 65' ' ' LYS . 21.4 pt -103.33 -4.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.0 110.886 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.435 ' H ' ' HG2' ' A' ' 39' ' ' LYS . . . 142.41 174.88 15.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -105.4 151.46 24.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG13 HD22 ' A' ' 58' ' ' LEU . 17.5 pt -126.53 165.01 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.607 ' HB3' HG22 ' A' ' 84' ' ' THR . 2.7 p -156.79 171.41 20.44 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.0 111.927 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -155.31 150.76 27.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.044 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -175.0 144.72 0.77 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.983 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.82 -97.34 0.17 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.11 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.08 88.4 1.02 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.6 mtt -145.58 -173.23 4.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.588 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -94.52 153.43 40.32 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.86 -32.0 90.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.118 1.879 . . . . 0.0 111.906 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.0 mt -71.02 -41.45 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -62.97 -39.61 95.21 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 109.907 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.673 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -64.16 -42.47 96.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.546 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.2 -46.89 84.93 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.228 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.46 -36.65 78.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.608 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.737 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.6 t70 -62.38 -45.93 90.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.527 HD22 HG13 ' A' ' 43' ' ' ILE . 87.6 mt -62.91 -52.54 62.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.088 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.5 mt -62.12 -45.35 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.375 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.658 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 48.1 mtpt -73.4 -35.53 65.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.106 -177.591 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.737 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.4 ttpt -66.39 -39.53 89.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.29 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.54 -35.35 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.688 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 16.7 mm-40 -56.3 -36.74 69.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.531 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' ' 40' ' ' ILE . 32.5 ttpt -91.81 -26.21 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 110.25 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.35 60.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . . . -91.04 164.3 14.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.755 0.312 . . . . 0.0 110.293 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -115.79 -30.98 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.443 0.639 . . . . 0.0 110.026 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 92.5 t -125.12 137.92 56.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.961 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.74 HG23 HD13 ' A' ' 24' ' ' ILE . 28.7 m -130.07 142.38 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.917 0.389 . . . . 0.0 110.157 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.52 106.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.83 88.4 1.33 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.444 ' H ' ' HA ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -61.13 -44.68 96.96 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.151 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m 67.56 177.88 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.159 0.912 . . . . 0.0 111.829 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.23 152.27 24.35 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 64.91 3.13 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.893 0.854 . . . . 0.0 109.636 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.637 ' OG1' ' HB2' ' A' ' 82' ' ' HIS . 2.7 m -129.47 -71.89 0.61 Allowed 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.455 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 70.24 -50.13 0.65 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.804 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -48.78 -70.28 0.09 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.856 0.462 . . . . 0.0 111.909 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 80' ' ' LYS . 15.6 ptpt -106.07 5.47 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 109.633 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 54' ' ' ALA . 6.0 mt 63.66 148.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 113.871 -1.513 . . . . 0.0 112.826 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.637 ' HB2' ' OG1' ' A' ' 77' ' ' THR . 1.2 m80 -156.46 28.92 0.34 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.816 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.589 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -76.0 139.55 24.45 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.294 -169.01 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 44' ' ' SER . 62.0 p -116.82 166.84 11.69 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.112 -0.544 . . . . 0.0 109.878 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -150.71 133.85 16.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.19 123.27 46.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.624 HG22 HG12 ' A' ' 70' ' ' VAL . 24.3 pt -115.12 152.25 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 0.0 111.792 -173.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.565 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 45.8 m-85 -137.37 155.18 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.792 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 67' ' ' ALA . 20.2 mtpp -116.34 159.12 22.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 82.9 tttt -82.95 136.72 34.45 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.652 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -98.09 -164.03 1.1 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.4 pt? -117.13 18.22 14.62 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.769 -172.145 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.13 0.491 . . . . 0.0 112.276 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -139.52 154.38 47.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.659 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mm -92.23 125.48 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.71 0.291 . . . . 0.0 110.242 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 12.6 mmt -99.46 156.12 17.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.673 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -66.21 156.98 32.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -64.12 -33.3 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.045 0.45 . . . . 0.0 110.686 -176.348 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 p -75.67 -51.0 13.75 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.814 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.9 m-20 -56.96 -39.02 73.8 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.276 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HA ' HG22 ' A' ' 33' ' ' VAL . 51.4 t80 -56.32 -44.8 80.3 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.269 0.355 . . . . 0.0 110.999 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.21 -31.54 72.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.751 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.01 -32.83 26.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.7 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.7 m -85.71 -21.33 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.989 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.63 -24.77 58.24 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.22 0.533 . . . . 0.0 110.933 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -56.81 -41.67 78.19 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.631 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.14 26.71 5.64 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.888 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 5.1 m-30 -121.49 169.75 10.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -170.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -147.89 130.82 16.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.302 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.15 123.19 33.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.898 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 pt -95.8 -4.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.845 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.98 165.17 10.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.368 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -106.9 155.44 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.401 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -125.99 163.29 27.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 2.2 p -161.24 168.65 23.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.449 HG23 HD21 ' A' ' 58' ' ' LEU . 9.1 p -145.9 142.79 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.945 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 m -153.73 128.41 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.222 -0.299 . . . . 0.0 110.67 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.2 -112.22 0.7 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.842 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.94 116.89 13.23 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -143.02 174.29 10.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.867 -176.55 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.652 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 15.5 m -99.17 143.98 27.4 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.33 -53.66 5.0 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.434 2.089 . . . . 0.0 113.416 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.562 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 7.8 mp -75.05 -31.73 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.547 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.652 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 7.8 m-20 -70.47 -34.73 72.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.65 75.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.061 0.457 . . . . 0.0 110.086 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD2' ' OE1' ' A' ' 76' ' ' GLN . 22.1 mtp180 -60.49 -42.48 96.41 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.87 -43.92 81.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.677 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.9 t70 -65.24 -41.55 94.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.423 0.63 . . . . 0.0 110.114 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD21 HG23 ' A' ' 45' ' ' THR . 73.8 mt -70.07 -51.16 34.1 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.288 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.51 -40.72 80.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.477 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.1 mmtm -70.18 -35.53 74.03 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.54 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.7 ttpt -71.74 -40.83 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.481 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.14 82.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.715 171.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -61.75 -43.05 99.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.394 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 25.6 mt-10 -61.81 -41.78 98.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.572 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -75.28 -25.92 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.061 0.458 . . . . 0.0 110.268 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.7 88.43 1.62 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.6 175.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . . . -128.49 149.37 50.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -93.17 -39.01 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 109.477 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' OD2' ' A' ' 68' ' ' ASP . 43.1 t -126.49 141.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.194 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 87' ' ' ILE . 48.6 t -119.51 142.79 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.443 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.12 113.41 37.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.02 94.97 8.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.857 0.36 . . . . 0.0 110.635 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.45 1.53 55.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.367 0.603 . . . . 0.0 111.712 177.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -54.63 144.27 22.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.082 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.02 87.59 1.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.023 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.609 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 22.8 tt0 -83.06 79.11 9.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.835 0.826 . . . . 0.0 111.334 -170.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 11.8 m -68.03 -78.62 0.06 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.583 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.81 -83.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.869 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -84.31 -49.2 8.97 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.172 0.51 . . . . 0.0 109.721 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.558 ' O ' ' HB ' ' A' ' 77' ' ' THR . 55.9 pttt -94.39 131.29 40.21 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.7 pt -153.44 135.2 5.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.328 -173.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.11 86.43 4.59 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 166.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.417 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . -83.31 142.69 21.41 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.497 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 2.2 m -155.26 151.14 27.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 132.54 10.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.8 116.66 32.35 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.449 HG22 HG13 ' A' ' 70' ' ' VAL . 24.6 pt -105.34 152.65 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.24 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -136.71 160.74 37.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.619 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 8.4 mmmm -128.62 158.79 37.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.424 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.1 150.87 44.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.907 0.384 . . . . 0.0 110.032 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -74.76 175.24 8.15 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.985 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.7 pt? -84.15 -22.79 30.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.667 0.746 . . . . 0.0 109.63 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.283 178.769 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.504 ' HB3' HG22 ' A' ' 69' ' ' VAL . 3.8 tp10 -93.2 153.77 18.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.338 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.46 154.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 mmt -130.54 144.36 51.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 112.598 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -82.09 152.32 26.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 163.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -57.71 -39.23 76.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.569 0.622 . . . . 0.0 111.27 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -60.16 -46.6 89.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -68.81 -39.87 79.84 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.458 ' HA ' HG22 ' A' ' 33' ' ' VAL . 39.0 t80 -55.5 -46.52 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.025 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.09 -32.06 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 0.0 110.726 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.13 -42.38 47.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 30' ' ' PHE . 24.3 m -80.58 -12.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.032 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -20.03 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 109.934 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 t -89.04 -16.4 31.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.502 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -113.31 7.4 17.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.518 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.38 -179.7 5.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.39 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -142.6 128.96 20.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.746 0.307 . . . . 0.0 111.237 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -64.31 130.51 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.024 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.92 -6.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.693 0.282 . . . . 0.0 111.329 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.15 168.26 11.58 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -106.3 152.58 23.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.9 pt -125.6 163.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.467 ' HB3' HG23 ' A' ' 84' ' ' THR . 2.3 p -157.09 160.56 38.99 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.321 0.581 . . . . 0.0 111.581 177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.449 HG23 ' HG ' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -113.2 130.5 56.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.954 175.084 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 m -153.04 118.24 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.753 0.311 . . . . 0.0 110.308 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.81 -119.29 0.87 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -134.96 99.02 4.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.296 0.238 . . . . 0.0 110.602 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.5 ' HB2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmt -150.94 -178.47 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 144.36 27.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -55.85 -52.01 8.39 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.051 2.501 . . . . 0.0 113.432 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.78 -37.1 85.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.08 -34.58 73.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.26 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.85 -38.62 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.323 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.25 -53.12 61.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.8 -43.19 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.898 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.0 t70 -68.48 -36.95 79.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.397 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 45' ' ' THR . 23.6 mt -66.11 -50.79 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.3 mt -62.98 -36.76 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.1 ttmm -68.74 -49.41 59.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.533 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 7.3 ttpt -67.48 -36.41 81.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.164 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.77 -47.83 76.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 170.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.29 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.225 0.536 . . . . 0.0 109.918 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 56.6 mt-10 -68.49 -38.27 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.879 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -71.43 -25.42 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.89 32.65 2.01 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.03 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.661 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -93.11 149.27 21.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.722 0.296 . . . . 0.0 111.058 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.9 t70 -110.57 -33.74 6.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.571 . . . . 0.0 110.41 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 23' ' ' GLU . 9.6 t -126.62 141.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.266 175.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.642 HG12 HG22 ' A' ' 87' ' ' ILE . 34.6 m -122.43 142.54 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.974 0.416 . . . . 0.0 110.022 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.48 103.01 14.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.79 86.12 4.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.748 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -17.32 57.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 173.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -50.23 126.02 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.673 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.24 -85.47 0.23 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.121 -1.037 . . . . 0.0 111.158 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -159.91 -60.62 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.5 m 52.82 86.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.166 0.916 . . . . 0.0 111.594 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -90.99 -22.02 21.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.625 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -44.61 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.006 0.816 . . . . 0.0 111.408 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -143.96 14.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.686 0.755 . . . . 0.0 109.207 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 83' ' ' GLY . 6.8 mt 65.81 149.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 113.972 -1.467 . . . . 0.0 112.733 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -164.43 31.08 0.07 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.619 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -68.81 141.85 37.17 Favored Glycine 0 CA--C 1.503 -0.718 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.971 -174.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -118.4 148.65 42.32 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 120.785 0.326 . . . . 0.0 110.54 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.06 132.64 25.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.77 122.47 47.22 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 67' ' ' ALA . 25.9 pt -115.82 153.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.693 0.758 . . . . 0.0 113.022 -168.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -131.5 153.3 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.457 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -109.24 148.32 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -72.94 156.32 38.97 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.985 0.422 . . . . 0.0 110.645 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -91.91 176.72 6.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.221 0.534 . . . . 0.0 110.439 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD23 ' H ' ' A' ' 92' ' ' LEU . 1.8 pt? -107.24 6.15 28.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.309 -175.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 111.783 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.97 152.71 33.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.846 HD13 HG23 ' A' ' 70' ' ' VAL . 29.6 mm -82.48 142.05 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.102 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 mmt -129.5 139.41 51.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.004 0.43 . . . . 0.0 111.618 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE3' ' OD1' ' A' ' 29' ' ' ASP . 40.5 mtmt -59.89 156.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.117 171.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -71.88 -22.54 61.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.74 0.305 . . . . 0.0 111.792 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.3 p -69.33 -50.06 49.97 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.228 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.5 m-20 -72.21 -29.7 64.22 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.321 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' HG22 ' A' ' 33' ' ' VAL . 60.4 t80 -56.6 -48.32 77.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.07 -33.58 75.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.164 0.507 . . . . 0.0 110.747 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.27 -37.94 43.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.656 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.659 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 22.5 m -82.95 -8.75 11.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.716 0.293 . . . . 0.0 110.718 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.72 -14.91 56.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.493 0.663 . . . . 0.0 109.977 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -93.32 -25.39 17.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.574 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -99.15 -7.99 25.8 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.249 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.659 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 86.7 m-85 -129.87 163.91 25.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 0.0 111.169 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -127.61 152.5 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 41' ' ' GLY . 8.7 tppt? -78.67 133.46 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.136 0.574 . . . . 0.0 110.452 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.802 HD13 ' HG2' ' A' ' 89' ' ' LYS . 22.7 pt -125.54 15.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.411 . . . . 0.0 111.474 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' H ' ' HG3' ' A' ' 39' ' ' LYS . . . 110.86 167.79 19.08 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.702 175.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -106.4 158.25 17.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 pt -119.93 164.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -149.79 178.04 9.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.764 0.316 . . . . 0.0 110.476 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.711 HG21 ' HB1' ' A' ' 54' ' ' ALA . 1.6 p -127.8 131.28 49.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.4 m -154.87 131.96 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.07 -6.87 2.88 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.586 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 80' ' ' LYS . 39.5 mt-10 61.45 93.13 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.465 0.65 . . . . 0.0 111.305 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 83.0 mtp -135.64 -167.44 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.907 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 m -82.04 144.02 50.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.57 -42.5 26.28 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 82.7 mt -69.47 -39.61 77.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 0.0 110.288 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.82 -38.87 92.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.711 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -63.93 -43.09 96.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.78 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' HG2' HD11 ' A' ' 59' ' ' ILE . 16.8 ttt180 -58.4 -51.62 69.04 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 41.4 mt-10 -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.046 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 26.4 t70 -67.69 -43.52 79.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.102 0.477 . . . . 0.0 110.092 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.425 HD11 HG23 ' A' ' 45' ' ' THR . 34.7 mt -64.28 -49.42 71.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.967 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.504 HD11 ' HG2' ' A' ' 55' ' ' ARG . 53.3 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.287 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.65 -40.8 76.25 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.516 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.0 ttpt -68.08 -42.0 81.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.652 0.263 . . . . 0.0 111.392 -175.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.583 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -59.76 -47.31 86.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.108 0.48 . . . . 0.0 110.563 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.94 -39.4 91.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.53 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.31 -26.12 59.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.253 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -73.04 -21.02 60.87 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.6 -1.86 15.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.597 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 40' ' ' ILE . . . -56.29 148.36 18.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.901 0.35 . . . . 0.0 111.231 -176.141 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -98.35 -37.89 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.627 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -125.41 138.86 53.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.77 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.846 HG23 HD13 ' A' ' 24' ' ' ILE . 16.8 m -123.63 142.25 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.022 0.439 . . . . 0.0 110.301 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -124.69 109.79 23.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.936 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -81.46 77.19 8.35 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -62.21 -41.16 98.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.312 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m 60.43 -172.8 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.015 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.97 -153.06 5.83 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -146.16 50.28 1.17 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 122.069 0.937 . . . . 0.0 110.824 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 9.4 m -132.19 78.85 1.83 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.066 174.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.33 -16.81 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.076 -172.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -55.75 -63.95 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.345 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.721 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -105.61 -9.08 17.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.407 0.622 . . . . 0.0 110.603 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 8.5 mt 63.2 148.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.157 -171.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -166.2 29.05 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.41 141.42 27.72 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.876 -176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -112.56 156.89 21.88 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.44 132.49 35.5 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.63 125.58 52.02 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.81 HG22 HG12 ' A' ' 70' ' ' VAL . 18.4 pt -116.0 153.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.464 0.649 . . . . 0.0 112.722 -169.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 74.1 m-85 -131.9 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.999 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.802 ' HG2' HD13 ' A' ' 40' ' ' ILE . 21.0 mmmt -109.92 159.54 17.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.156 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -63.66 157.71 23.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.386 0.613 . . . . 0.0 110.535 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -95.55 173.47 7.48 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.728 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.2 pt? -93.43 -3.8 52.48 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.922 -176.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.3 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.241 0.543 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HB3' ' HE2' ' A' ' 25' ' ' MET . 3.3 tp10 -119.37 144.32 46.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.192 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.737 HD13 HG23 ' A' ' 70' ' ' VAL . 15.5 mm -83.6 129.26 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.474 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 21.2 mmt -114.17 157.93 22.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -79.71 151.48 30.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.98 -22.17 62.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 p -77.8 -53.67 7.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.5 -29.24 56.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.252 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' HA ' HG22 ' A' ' 33' ' ' VAL . 23.7 t80 -61.27 -43.07 99.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.68 -30.47 71.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -74.51 -45.37 46.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.9 m -74.44 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.767 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.59 43.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.983 0.42 . . . . 0.0 111.086 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -70.09 -31.11 68.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.785 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.46 13.21 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.505 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.512 ' CE2' HG23 ' A' ' 69' ' ' VAL . 9.0 m-85 -116.75 169.35 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.264 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 m -139.0 135.8 34.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.977 0.418 . . . . 0.0 110.907 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -76.11 122.18 23.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.163 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' A' ' 89' ' ' LYS . 13.2 pt -92.76 -17.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.402 175.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.75 14.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.006 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.14 152.43 22.81 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 85' ' ' ALA . 17.0 pt -117.24 163.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.523 ' HB2' HG22 ' A' ' 84' ' ' THR . 29.6 t -155.71 167.13 31.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.095 0.474 . . . . 0.0 110.534 -177.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.527 HG21 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -108.06 160.35 15.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.463 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -150.37 120.98 7.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.22 7.6 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.641 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.46 115.13 2.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.11 169.2 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.645 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 21.4 m -69.01 141.5 92.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.476 ' HA ' HD13 ' A' ' 81' ' ' ILE . 17.8 Cg_endo -60.27 -55.91 1.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.765 2.31 . . . . 0.0 113.709 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -72.53 -32.45 66.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 16.2 m-20 -71.2 -37.7 72.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.965 -178.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -70.84 -32.91 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.255 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -66.76 -43.78 83.18 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.3 tm-20 -56.42 -42.91 78.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.116 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 21.9 t70 -69.36 -33.32 72.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 0.0 110.57 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.417 HD11 HG23 ' A' ' 45' ' ' THR . 48.7 mt -66.0 -42.8 89.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.922 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 56' ' ' GLU . 29.4 mt -63.02 -41.97 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.685 178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 35.1 mtpt -55.51 -52.97 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.765 174.019 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -62.37 -38.28 88.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.583 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.24 87.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.694 174.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.92 -41.97 90.73 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.45 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.18 -35.78 78.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.936 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -75.98 -34.29 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.826 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.53 18.96 10.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.33 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -65.49 145.32 56.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.47 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.3 t70 -96.61 -39.53 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 37' ' ' TYR . 39.9 t -114.46 135.17 55.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.093 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG12 HG22 ' A' ' 87' ' ' ILE . 22.2 m -127.23 142.0 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.95 128.34 62.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.453 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.62 99.73 11.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.484 . . . . 0.0 110.199 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -89.14 -10.68 46.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.416 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 p -46.36 124.87 6.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.573 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.16 -20.44 77.39 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.279 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.99 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.456 ' H ' HG22 ' A' ' 81' ' ' ILE . 1.4 p -93.98 -76.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -179.19 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.25 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -105.15 -47.77 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.518 0.675 . . . . 0.0 110.288 -175.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.01 44.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 51' ' ' PRO . 18.8 pt -78.24 129.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.634 0.73 . . . . 0.0 112.749 -173.758 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -113.61 38.12 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 168.13 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.65 141.89 35.83 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.409 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 44' ' ' SER . 45.9 p -106.47 169.5 8.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.209 0.528 . . . . 0.0 111.091 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -141.45 133.4 27.54 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -110.26 120.67 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.017 0.437 . . . . 0.0 109.916 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.737 HG22 HG12 ' A' ' 70' ' ' VAL . 23.6 pt -116.27 153.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.312 0.577 . . . . 0.0 112.359 -170.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -134.3 150.79 51.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.752 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 21.2 mmmt -113.46 157.98 21.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.264 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HE3' ' OH ' ' A' ' 37' ' ' TYR . 35.6 mttt -74.83 145.91 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -91.12 -174.93 4.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.887 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 93' ' ' GLU . 4.0 pp -95.93 -24.02 16.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.177 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 92' ' ' LEU . 35.3 tt0 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.305 176.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.636 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -137.27 155.78 49.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.923 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.78 HD13 HG23 ' A' ' 70' ' ' VAL . 19.1 mm -84.43 133.71 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.0 mtp -120.61 -175.23 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.48 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 66.8 mttm -82.65 -163.79 0.76 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -103.61 -44.06 5.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.2 m -70.87 -47.89 56.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.423 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.3 p30 -69.52 -32.39 71.2 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.033 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' HG22 ' A' ' 33' ' ' VAL . 78.2 t80 -59.95 -40.67 89.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.034 0.445 . . . . 0.0 110.691 176.051 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.6 -33.75 76.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -83.17 -31.22 27.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.651 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.1 m -87.25 -12.28 10.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.902 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.1 -23.72 64.06 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.39 0.614 . . . . 0.0 110.211 174.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -62.01 -41.98 98.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.269 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -84.07 5.53 25.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.821 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' A' ' 69' ' ' VAL . 19.7 m-30 -127.5 178.83 5.83 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 111.482 -171.243 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -147.25 162.51 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -117.21 118.13 31.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.912 0.386 . . . . 0.0 110.903 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 67' ' ' ALA . 21.4 pt -84.58 -25.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.375 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.02 176.15 26.06 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.658 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -105.94 150.99 25.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 pt -124.69 164.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.634 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -145.64 176.0 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 112.687 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 2.3 p -123.77 138.6 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.492 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -143.67 108.44 4.9 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.959 0.409 . . . . 0.0 111.3 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.29 -119.35 0.89 Allowed Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.039 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -168.56 86.96 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.319 0.581 . . . . 0.0 110.608 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -136.24 168.07 20.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.768 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.9 m -67.06 148.55 98.84 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.629 0.252 . . . . 0.0 110.841 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.733 ' HD3' ' HG3' ' A' ' 78' ' ' GLU . 12.0 Cg_endo -54.74 -45.25 42.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.55 2.833 . . . . 0.0 113.9 -171.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 5.7 mp -71.51 -34.46 70.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.11 -38.51 88.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -60.84 -42.1 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.447 175.285 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 36.3 mtm180 -57.65 -57.53 12.32 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.971 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 59' ' ' ILE . 31.9 mt-10 -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.638 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 17.1 t70 -62.81 -47.01 85.29 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 85' ' ' ALA . 55.3 mt -62.39 -48.02 81.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.969 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.0 mt -59.81 -46.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.622 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -73.06 -30.89 64.04 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 120.757 0.313 . . . . 0.0 110.618 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -69.75 -43.07 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.33 86.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.15 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.75 -35.2 80.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.533 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.92 -41.81 82.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.417 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -73.65 -34.72 65.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.17 60.59 0.45 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.642 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -111.33 151.75 28.05 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.636 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 90.1 m-20 -104.74 -31.69 9.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 37' ' ' TYR . 18.6 t -124.76 139.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.78 HG23 HD13 ' A' ' 24' ' ' ILE . 15.3 m -129.32 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.32 114.3 28.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.823 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.5 mt -84.03 84.74 7.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.398 0.618 . . . . 0.0 110.264 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.66 0.75 56.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.908 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 132.9 23.97 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.591 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.71 98.26 0.46 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 171.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.61 75.36 0.81 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 122.241 1.019 . . . . 0.0 111.021 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 m -79.99 -13.91 58.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.401 173.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.733 ' HG3' ' HD3' ' A' ' 51' ' ' PRO . 37.6 tt0 73.06 -70.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.665 0.786 . . . . 0.0 112.242 174.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -59.71 4.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 0.0 111.986 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -112.29 61.08 0.63 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.801 0.81 . . . . 0.0 110.312 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 54' ' ' ALA . 22.2 pt -49.25 122.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.309 -1.314 . . . . 0.0 112.866 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.614 ' HA ' ' O ' ' A' ' 45' ' ' THR . 67.6 t60 -148.79 48.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.07 166.17 15.43 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.623 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 44' ' ' SER . 21.5 p -112.97 153.49 27.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.541 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -121.12 134.39 55.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.38 115.11 29.76 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.643 HG22 HG12 ' A' ' 70' ' ' VAL . 30.3 pt -116.54 152.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.906 -171.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CD1' ' HZ ' ' A' ' 30' ' ' PHE . 5.7 m-85 -135.41 152.22 51.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.016 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -119.7 137.76 53.71 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LYS . . . . . 0.552 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 17.2 pttm -69.56 165.03 21.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.637 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -85.1 178.83 7.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.913 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.4 mt -89.76 1.56 55.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.067 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.535 0.4 0 O-C-N 123.735 0.647 . . . . 0.0 111.363 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 24' ' ' ILE . 35.2 tt0 -153.95 163.8 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.583 172.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.699 HD13 HG23 ' A' ' 70' ' ' VAL . 19.4 mm -77.15 144.08 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.433 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 26.2 mmt -119.3 169.19 10.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -82.74 153.97 25.02 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -55.04 -54.41 43.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.2 m -69.06 -42.13 76.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.959 0.409 . . . . 0.0 111.134 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -72.33 -37.63 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.643 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' HA ' HG22 ' A' ' 33' ' ' VAL . 45.7 t80 -62.55 -42.07 99.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 110.088 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.83 -30.65 71.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.847 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -87.2 -30.94 20.61 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.727 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 30' ' ' PHE . 31.4 m -82.3 -21.23 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.578 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -61.95 -14.7 37.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 111.094 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -64.45 -34.19 77.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.394 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 18.3 mt-10 -105.24 23.9 12.93 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.114 0.483 . . . . 0.0 111.002 175.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.626 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 27.9 m-85 -131.54 165.03 24.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 39' ' ' LYS . 4.8 m -140.17 169.06 18.39 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' H ' HG22 ' A' ' 38' ' ' THR . 19.9 ttpt -112.43 135.57 52.97 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.995 -0.441 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' A' ' 65' ' ' LYS . 14.7 pt -107.21 -13.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.74 169.08 16.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.236 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 m -105.75 156.07 18.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 pt -132.66 166.0 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.653 0.263 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -150.43 161.4 42.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.442 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 3.1 m -77.68 144.55 37.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.096 0.474 . . . . 0.0 111.166 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 m -96.01 101.5 13.18 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.617 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.68 134.56 8.51 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.062 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -82.63 89.73 6.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.178 0.513 . . . . 0.0 109.769 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtm -117.8 -169.49 1.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.895 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.544 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 8.9 m -66.52 160.51 66.44 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.628 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.546 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 11.6 Cg_endo -54.29 -54.1 5.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.995 2.463 . . . . 0.0 112.918 -175.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.15 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.0 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.45 -48.51 64.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.14 92.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -65.42 -43.94 88.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.52 -33.49 71.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.638 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.7 t70 -70.63 -42.29 71.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.33 0.586 . . . . 0.0 109.999 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.57 -44.71 77.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.084 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.28 -47.93 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.164 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -66.56 -45.4 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.896 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -65.83 -41.02 92.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.386 -175.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.45 99.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.54 -33.99 75.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.18 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.34 -28.92 67.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.1 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' HD12 ' A' ' 40' ' ' ILE . 15.3 tppt? -79.96 -25.59 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.815 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.42 39.95 4.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.754 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -87.28 160.56 18.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.615 0.245 . . . . 0.0 110.537 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.524 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 9.4 m-20 -113.92 -24.38 9.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.098 0.475 . . . . 0.0 110.819 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 37' ' ' TYR . 77.8 t -127.17 139.77 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.48 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.699 HG23 HD13 ' A' ' 24' ' ' ILE . 21.2 m -125.26 142.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.9 t -137.97 123.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.616 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.43 93.39 1.95 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -78.78 -26.47 44.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.776 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.581 ' HB2' ' HB ' ' A' ' 84' ' ' THR . 65.8 m -148.56 176.79 10.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.417 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.503 ' O ' ' HG3' ' A' ' 76' ' ' GLN . . . 156.34 -120.87 1.03 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -174.76 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' GLY . 26.5 mt-30 -161.58 -92.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.691 0.396 . . . . 0.0 110.295 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.1 p -117.4 -83.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 51' ' ' PRO . 33.5 tt0 -164.67 -61.23 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.066 175.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . 0.506 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 8.3 t-20 -58.92 -32.47 69.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.526 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -128.57 128.67 44.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 170.605 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 51' ' ' PRO . 17.1 pt -151.33 128.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.123 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -99.95 82.28 2.55 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 161.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.74 138.69 22.62 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.543 -0.837 . . . . 0.0 114.246 -166.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.581 ' HB ' ' HB2' ' A' ' 74' ' ' SER . 2.5 m -123.95 141.88 51.65 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.21 40.81 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.509 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -110.66 116.08 30.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.579 HD12 ' HB2' ' A' ' 67' ' ' ALA . 33.1 pt -108.28 152.84 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 121.626 0.727 . . . . 0.0 112.462 -168.429 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 31.5 m-85 -131.01 153.72 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.772 -175.602 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 57.6 tptt -125.64 138.51 53.91 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.645 -1.162 . . . . 0.0 108.908 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -69.12 156.25 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.305 0.574 . . . . 0.0 111.028 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.52 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 93.5 mttt -93.19 -179.79 5.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.318 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.0 pt? -111.73 14.33 21.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.142 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' OE2' ' HD3' ' A' ' 91' ' ' LYS . 35.5 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.204 0.526 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -128.44 162.74 26.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.357 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.616 HD13 HG23 ' A' ' 70' ' ' VAL . 24.7 mm -86.22 123.3 39.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -101.91 138.41 38.91 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.921 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -60.15 146.74 42.2 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 82.6 tttt -61.86 -34.89 76.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.806 0.276 . . . . 0.0 111.387 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.624 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 19.3 m -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.039 0.447 . . . . 0.0 110.423 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.66 -31.02 61.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.9 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' HA ' HG22 ' A' ' 33' ' ' VAL . 71.1 t80 -61.69 -44.65 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.964 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.45 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.101 0.477 . . . . 0.0 110.93 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.1 mptt -75.56 -44.12 44.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.5 m -80.33 -7.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -18.16 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.359 0.599 . . . . 0.0 109.869 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -86.64 -27.23 23.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.197 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.37 6.22 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.112 -172.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 17.4 m-85 -133.83 172.9 12.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 111.227 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -144.58 134.08 23.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.565 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 87' ' ' ILE . 37.2 ttpt -85.89 121.45 28.55 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.649 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 7.1 pt -90.87 -7.5 10.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.022 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.56 174.42 15.01 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.485 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -105.19 146.53 29.12 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 pt -116.02 163.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 t -152.4 175.54 12.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.769 -175.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.558 HG21 ' HB1' ' A' ' 54' ' ' ALA . 11.2 t -155.48 -179.87 8.51 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.574 HG22 ' HG2' ' A' ' 48' ' ' GLU . 11.4 m -94.19 140.55 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.04 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.673 ' HA2' ' O ' ' A' ' 81' ' ' ILE . . . -73.24 -5.71 67.25 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 114.544 0.577 . . . . 0.0 114.544 -173.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HG2' HG22 ' A' ' 46' ' ' THR . 9.2 pt-20 -96.21 37.78 1.23 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.171 0.51 . . . . 0.0 111.204 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.3 mtt -127.35 163.24 24.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.269 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.6 m -71.84 152.9 93.21 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.732 ' HB3' ' HA ' ' A' ' 78' ' ' GLU . 13.2 Cg_endo -56.0 -55.66 2.75 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.012 2.474 . . . . 0.0 113.072 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 9.2 tt -69.27 -35.3 75.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.37 -48.27 80.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -66.34 -30.97 71.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 19.6 mtm180 -68.84 -48.22 64.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 17.6 mm-40 -62.01 -29.92 70.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 110.296 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 10.1 t70 -65.33 -45.43 84.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.425 0.631 . . . . 0.0 109.634 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.48 -46.74 78.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.72 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -65.03 -40.93 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.734 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.6 pttp -70.83 -33.08 70.3 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.267 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttpt -70.4 -42.11 72.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.0 110.758 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.67 73.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.202 171.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.0 -38.13 72.66 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.369 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 40.4 mt-10 -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.153 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 54.5 tttp -84.03 -29.2 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.085 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 96.64 43.01 3.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.365 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -82.63 159.87 22.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 111.271 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.502 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 18.1 m-20 -111.23 -29.03 8.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 96.6 t -126.56 141.1 46.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 87' ' ' ILE . 16.0 m -124.68 142.38 41.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.76 102.09 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 85' ' ' ALA . 97.2 mt -77.84 90.29 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.205 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.29 -15.29 57.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.222 0.534 . . . . 0.0 111.071 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.6 m -144.53 178.61 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 -18.1 30.55 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.553 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -94.66 32.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.279 0.539 . . . . 0.0 112.017 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.664 ' HB ' HG22 ' A' ' 81' ' ' ILE . 7.1 m -91.43 -20.42 21.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.211 0.529 . . . . 0.0 110.031 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.732 ' HA ' ' HB3' ' A' ' 51' ' ' PRO . 39.3 tt0 73.56 -66.73 0.29 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.999 173.494 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -54.75 -64.3 0.88 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 110.55 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -138.84 146.58 41.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 166.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.673 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 23.4 pt -143.21 124.49 11.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-O 121.181 0.515 . . . . 0.0 112.161 -171.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -85.74 72.24 10.58 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 166.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.36 134.41 50.91 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.823 -1.08 . . . . 0.0 113.073 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.48 139.24 33.27 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -149.03 134.76 18.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.379 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.15 118.08 36.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.035 0.445 . . . . 0.0 109.813 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.697 HG22 HG12 ' A' ' 70' ' ' VAL . 29.7 pt -105.76 152.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 0.0 111.568 -173.174 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 58.1 m-85 -130.87 148.73 52.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.197 -176.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.502 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 50.7 tptt -120.05 141.69 49.52 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.977 -173.732 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -69.23 137.35 53.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.33 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -175.16 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.298 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -11.11 59.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.067 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.307 178.223 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.737 0.304 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -143.88 167.12 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.685 HD13 HG23 ' A' ' 70' ' ' VAL . 21.8 mm -88.6 132.24 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.443 ' HG2' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -105.51 153.47 21.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.352 175.408 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -72.62 159.71 33.43 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.583 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.78 -55.03 25.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 13.6 t -74.48 -35.83 63.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.868 -176.4 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.29 -38.68 85.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HA ' HG22 ' A' ' 33' ' ' VAL . 41.8 t80 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.83 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -32.59 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.5 mptt -74.62 -44.64 49.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.036 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.1 m -77.07 -19.17 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.949 -177.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.82 57.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.998 0.428 . . . . 0.0 110.891 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 t -83.67 -17.09 42.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.823 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.86 9.9 17.64 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.887 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE2' HG23 ' A' ' 69' ' ' VAL . 10.3 m-85 -127.88 178.34 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.18 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -137.25 141.49 42.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -85.51 122.4 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.002 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.633 HD13 ' HG2' ' A' ' 89' ' ' LYS . 24.0 pt -108.86 2.72 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.653 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.77 170.14 13.11 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.353 -0.927 . . . . 0.0 112.449 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -105.7 155.01 19.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.801 0.334 . . . . 0.0 110.16 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 85' ' ' ALA . 8.9 pt -119.28 163.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -148.46 165.39 31.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 111.312 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.577 HG23 HD21 ' A' ' 58' ' ' LEU . 1.6 p -146.09 121.08 10.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.241 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -156.24 119.36 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.93 -116.35 0.6 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -155.78 90.36 1.22 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.487 0.661 . . . . 0.0 110.93 175.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 49' ' ' MET . 1.4 mmt -143.56 -172.12 3.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.677 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.562 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 48.8 m -90.23 144.36 30.97 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 172.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 -41.11 71.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.177 2.585 . . . . 0.0 113.197 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.56 -35.05 76.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.339 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 50' ' ' SER . 70.9 m-20 -62.61 -45.79 91.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 109.77 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.571 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -60.08 -45.14 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.81 -48.91 77.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.02 -41.59 75.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.606 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.609 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.0 t70 -69.82 -37.17 76.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 45' ' ' THR . 57.8 mt -67.11 -48.8 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.228 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.89 -42.03 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.15 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 52.5 pttt -69.55 -39.43 77.43 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -70.86 -39.57 72.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.412 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.63 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.855 0.36 . . . . 0.0 110.347 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.72 -33.24 72.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.66 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 32.6 mt-10 -69.64 -37.88 76.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.101 175.349 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -68.46 -32.52 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.38 6.86 12.89 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.275 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . . . -58.78 153.75 16.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -110.76 -27.23 8.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.008 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 86.3 t -125.94 138.27 55.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.685 HG23 HD13 ' A' ' 24' ' ' ILE . 25.9 m -123.97 142.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.96 175.817 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.24 104.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.098 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.46 88.02 5.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.029 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 p -75.08 -39.0 61.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.663 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.8 m 59.27 -172.15 0.11 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.676 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.91 -141.85 4.95 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -125.35 46.04 2.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.233 0.54 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 91.5 m -154.75 102.6 2.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.2 -21.87 20.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 173.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -53.23 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.072 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -118.61 10.72 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.438 0.637 . . . . 0.0 110.201 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HB2' ' A' ' 54' ' ' ALA . 16.2 mt 69.57 152.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.508 -1.224 . . . . 0.0 112.127 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -175.9 45.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.99 146.33 16.06 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.761 -172.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.2 p -116.52 153.26 32.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.024 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -136.85 132.39 34.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.64 126.48 53.01 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.661 HG22 HG12 ' A' ' 70' ' ' VAL . 22.1 pt -115.71 153.91 17.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.662 0.744 . . . . 0.0 112.447 -170.218 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 32.8 m-85 -133.23 155.14 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.816 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 40' ' ' ILE . 22.6 mmmt -111.86 153.56 26.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.425 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.13 159.07 24.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -105.23 -177.04 3.25 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.083 -176.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -100.2 -5.38 27.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.499 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.114 0.483 . . . . 0.0 111.308 179.469 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.681 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.422 0.153 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.22 167.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.191 0.52 . . . . 0.0 111.495 -175.476 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 70' ' ' VAL . 18.3 mm -84.36 147.24 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.346 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.9 mmt -121.48 143.27 49.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.368 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -71.69 161.99 30.14 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 12.4 mptt -63.69 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.563 -173.727 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.613 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 8.9 t -71.73 -43.07 66.48 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.469 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.62 -39.55 67.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.386 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HA ' HG22 ' A' ' 33' ' ' VAL . 67.9 t80 -57.74 -48.27 80.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.454 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.96 -33.01 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.174 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.3 mptt -74.46 -42.41 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 30' ' ' PHE . 29.0 m -79.59 -20.55 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.796 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -21.04 63.19 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -62.73 -42.92 99.9 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.89 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -122.84 32.75 5.62 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.407 0.622 . . . . 0.0 111.661 -175.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.423 ' HD2' ' HB3' ' A' ' 88' ' ' TYR . 2.2 m-85 -113.78 179.93 3.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -128.27 144.76 51.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 110.732 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -94.43 122.72 37.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.627 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.525 HG13 HG13 ' A' ' 87' ' ' ILE . 15.0 pt -116.61 7.87 7.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.01 0.433 . . . . 0.0 111.527 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.26 171.6 19.3 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.507 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.4 m -105.72 153.99 21.09 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.22 164.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 84' ' ' THR . 19.0 t -159.18 -179.58 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.981 0.42 . . . . 0.0 110.887 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -153.82 157.77 39.85 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -155.51 130.84 9.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.113 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.501 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . 141.64 -111.66 0.71 Allowed Glycine 0 N--CA 1.441 -1.005 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.894 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.72 99.2 3.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.758 0.789 . . . . 0.0 110.455 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.3 mmm -138.86 162.23 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.358 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.4 m -89.77 148.53 40.12 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -59.74 -41.07 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.127 1.885 . . . . 0.0 113.626 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.95 -37.5 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.175 0.512 . . . . 0.0 110.113 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.9 -36.17 83.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.352 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.57 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -59.44 -51.1 71.32 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 59' ' ' ILE . 39.9 mt-10 -67.29 -26.56 66.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.122 -177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 13.4 t70 -65.75 -48.25 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.9 -44.23 96.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.183 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 56' ' ' GLU . 50.8 mt -61.45 -48.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.14 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.58 -43.19 97.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -63.07 -41.46 99.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.171 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.3 92.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.393 . . . . 0.0 110.869 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.62 -32.77 74.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.353 0.597 . . . . 0.0 110.612 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -78.2 -20.81 51.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.695 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -92.81 -28.04 16.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.08 50.87 0.86 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.185 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -95.19 168.85 10.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.14 0.495 . . . . 0.0 111.489 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.681 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 17.2 t70 -126.36 -39.37 2.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.476 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -125.44 137.54 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.321 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.738 HG12 HG22 ' A' ' 87' ' ' ILE . 17.6 m -119.74 143.39 31.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.194 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.29 115.28 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.037 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.72 83.45 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -73.9 -42.89 60.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p 54.57 -166.75 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 113.158 174.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.76 139.16 7.8 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.94 72.67 3.52 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.883 0.849 . . . . 0.0 111.14 -174.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 m -150.49 90.89 1.69 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.101 171.549 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.12 -21.36 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.031 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.99 -66.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.313 0.577 . . . . 0.0 109.829 174.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 17.5 pttp -131.01 113.29 13.79 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 83' ' ' GLY . 1.6 mt -75.26 146.68 9.04 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.117 -165.664 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -143.8 25.5 1.62 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.125 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.482 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -74.24 160.99 53.57 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.924 -1.034 . . . . 0.0 113.469 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 44' ' ' SER . 23.8 p -123.13 155.32 37.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.52 133.44 45.08 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.91 127.06 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.738 HG22 HG12 ' A' ' 70' ' ' VAL . 17.5 pt -116.27 152.8 17.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.613 0.72 . . . . 0.0 112.502 -171.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HB3' ' HD2' ' A' ' 37' ' ' TYR . 32.2 m-85 -130.75 153.72 48.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.936 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -118.57 130.93 56.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -69.9 134.81 48.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.324 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.657 ' HB2' ' HG2' ' A' ' 93' ' ' GLU . 7.0 mtpm? -84.68 -169.05 2.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.281 0.562 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.1 pt? -111.8 25.82 11.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.655 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.657 ' HG2' ' HB2' ' A' ' 91' ' ' LYS . 19.2 mm-40 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.471 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -109.32 153.34 24.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.345 -174.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.533 HD13 HG23 ' A' ' 70' ' ' VAL . 12.7 mm -94.56 134.0 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.6 173.013 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.81 159.32 24.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 94.2 mttt -76.58 140.79 41.19 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.85 -33.15 66.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -50.1 54.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.573 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.5 p-10 -77.49 -31.97 53.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.196 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' HZ ' ' CE1' ' A' ' 88' ' ' TYR . 48.0 t80 -59.05 -44.75 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.245 177.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.59 -33.87 76.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.047 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.0 -37.67 54.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.028 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.6 m -88.06 -10.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . . . -64.08 -21.5 66.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.434 0.635 . . . . 0.0 109.625 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -57.03 -28.46 62.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.052 173.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 12.6 mt-10 -105.42 19.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.04 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' HG23 ' A' ' 33' ' ' VAL . 21.7 m-30 -124.99 167.08 15.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.794 -178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.9 m -144.2 116.38 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.828 0.347 . . . . 0.0 110.291 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.05 137.6 56.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 pt -106.36 -23.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.12 172.34 25.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.973 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -105.85 153.32 22.1 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -117.95 164.42 14.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 8.8 t -148.58 165.37 31.46 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.687 -173.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.543 HG23 HD21 ' A' ' 58' ' ' LEU . 1.2 p -140.71 114.87 9.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.235 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 m -150.95 119.18 6.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -179.55 -111.21 0.3 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.732 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 6.7 pt-20 -164.94 58.31 0.13 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.034 0.921 . . . . 0.0 110.051 174.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 78.7 mmm -111.41 -166.95 1.12 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.313 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 p -99.77 143.0 25.64 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 174.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 52' ' ' LEU . 17.2 Cg_endo -58.65 -53.12 4.24 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.046 2.497 . . . . 0.0 113.903 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.676 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.5 mp -63.12 -39.98 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.975 -175.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -46.75 76.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 81' ' ' ILE . . . -72.3 -26.57 62.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.676 HH21 ' HG ' ' A' ' 52' ' ' LEU . 15.8 mtm180 -67.6 -38.91 84.65 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.185 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.4 mt-10 -60.46 -36.87 79.29 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.339 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 14.2 t70 -64.63 -41.9 95.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.543 HD21 HG23 ' A' ' 45' ' ' THR . 77.4 mt -61.53 -47.94 83.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.612 174.89 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 56' ' ' GLU . 39.0 mt -59.74 -42.3 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.434 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.93 -48.61 65.46 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.705 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 8.9 ttpt -59.91 -41.98 92.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.53 -176.384 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.39 91.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.904 0.383 . . . . 0.0 111.19 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.24 -40.43 81.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.233 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.1 -33.94 77.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.867 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -36.82 74.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.59 16.56 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.381 174.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.511 ' HA ' ' CD ' ' A' ' 89' ' ' LYS . . . -63.69 143.11 58.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.201 0.5 . . . . 0.0 111.242 -177.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.37 -35.09 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.334 0.588 . . . . 0.0 110.62 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.492 HG21 ' CE2' ' A' ' 37' ' ' TYR . 58.9 t -124.68 135.92 62.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.802 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.575 HG12 HG22 ' A' ' 87' ' ' ILE . 23.9 m -126.03 143.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.609 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.09 108.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -84.39 98.41 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.14 -6.94 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 174.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.687 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 21.4 p -53.97 103.68 0.09 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.524 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.85 -143.35 3.67 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 68.08 -61.15 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.118 0.967 . . . . 0.0 112.109 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.63 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 19.6 m -125.89 91.75 3.45 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -172.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.35 -23.43 40.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.785 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -55.55 -70.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 48' ' ' GLU . 18.7 pttm -106.24 6.18 30.5 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.235 0.54 . . . . 0.0 110.05 177.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.63 ' HA ' ' O ' ' A' ' 77' ' ' THR . 10.1 mt 69.62 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.82 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' HIS . . . . . 0.404 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 23.9 t-80 -161.84 23.42 0.12 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.641 -176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.687 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -101.7 163.91 17.52 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.632 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.581 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 36.5 p -121.24 -176.94 3.4 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -153.41 132.72 12.76 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.18 120.39 42.38 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -174.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.575 HG22 HG12 ' A' ' 70' ' ' VAL . 26.1 pt -115.98 152.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.116 -171.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.532 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 62.8 m-85 -138.0 148.82 45.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.527 -174.108 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.511 ' CD ' ' HA ' ' A' ' 67' ' ' ALA . 28.0 mmmt -105.65 169.66 8.35 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -83.8 150.12 25.98 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.228 0.537 . . . . 0.0 110.903 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 41.5 mttp -75.51 -174.73 2.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.405 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 1.4 pp -92.22 25.1 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.522 0.677 . . . . 0.0 109.309 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.274 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 112.203 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.73 153.69 39.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.261 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.697 HD13 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -87.65 138.0 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.911 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.0 mmt -125.03 160.54 28.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -74.73 160.66 30.47 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.058 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -57.14 -53.1 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -69.78 -37.51 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 111.158 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.09 -37.89 72.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.505 ' HA ' HG22 ' A' ' 33' ' ' VAL . 60.2 t80 -61.41 -41.94 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.597 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.93 -31.79 72.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 110.635 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.64 -41.26 46.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.861 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.8 m -79.01 -25.07 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.391 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.58 62.09 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.949 0.404 . . . . 0.0 111.426 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -63.65 -33.13 74.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -107.66 28.62 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.713 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 11.0 m-85 -135.31 169.99 16.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.19 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -129.17 150.35 50.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -103.64 111.72 24.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.525 0.679 . . . . 0.0 110.326 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.559 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 5.9 pt -82.4 -7.73 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.188 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.96 169.46 12.52 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.032 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -94.69 151.19 19.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.064 0.459 . . . . 0.0 109.943 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.541 HG13 HD22 ' A' ' 58' ' ' LEU . 16.1 pt -121.28 164.19 18.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.905 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t -150.37 166.98 28.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.031 -176.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -125.9 109.57 12.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.218 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -105.73 116.33 31.75 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.42 0.628 . . . . 0.0 110.759 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.84 -126.38 1.54 Allowed Glycine 0 N--CA 1.436 -1.355 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.49 95.79 0.93 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.542 0.686 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.3 mmt -136.02 178.06 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.696 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -79.4 151.64 75.13 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 4.6 Cg_endo -50.09 -42.89 44.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.913 2.408 . . . . 0.0 113.566 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.68 -42.25 82.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.26 -37.98 84.37 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.047 0.451 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.56 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.15 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.514 ' HD2' HD13 ' A' ' 72' ' ' LEU . 35.9 mtm180 -65.25 -45.88 82.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.125 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 59' ' ' ILE . 33.0 mt-10 -64.88 -33.27 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.273 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 8.4 t70 -70.19 -31.76 69.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.308 0.575 . . . . 0.0 109.959 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LEU . . . . . 0.541 HD22 HG13 ' A' ' 43' ' ' ILE . 81.3 mt -72.52 -41.9 65.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.277 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 56' ' ' GLU . 48.8 mt -59.91 -41.57 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 33.9 mtpt -56.11 -49.15 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.726 174.057 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -69.34 -38.76 78.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.351 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.53 89.52 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.216 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.24 -38.67 85.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.079 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.28 -30.59 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.734 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.559 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 33.0 tttp -99.45 -5.71 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.11 42.94 41.86 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.088 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -75.12 148.07 40.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.7 t70 -103.07 -34.23 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.487 0.66 . . . . 0.0 110.051 -176.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' CE2' ' A' ' 37' ' ' TYR . 56.3 t -125.16 139.2 51.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.401 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 24' ' ' ILE . 24.1 m -129.65 144.09 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.9 t -123.1 112.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 55' ' ' ARG . 96.5 mt -86.88 87.14 7.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.43 0.633 . . . . 0.0 110.873 -176.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -79.0 -11.36 60.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.973 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 p -51.01 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.07 69.84 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.527 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -61.71 -40.23 94.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.1 m -151.06 -92.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.768 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -153.38 -56.74 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.809 0.338 . . . . 0.0 110.146 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.05 -49.83 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -81.24 45.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.615 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 pt -98.62 149.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.9 0.857 . . . . 0.0 113.178 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -133.07 85.09 2.19 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 164.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.62 134.53 51.42 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-N 115.209 -0.905 . . . . 0.0 114.108 -166.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.8 p -133.27 146.92 51.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.016 -0.592 . . . . 0.0 109.883 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.198 -0.314 . . . . 0.0 110.377 178.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.52 112.52 25.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.648 HG22 HG12 ' A' ' 70' ' ' VAL . 26.2 pt -116.39 152.41 18.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 121.578 0.704 . . . . 0.0 112.4 -170.644 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.45 ' HD2' ' HB3' ' A' ' 37' ' ' TYR . 5.3 m-85 -130.93 151.59 51.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.24 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -120.88 147.44 45.41 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.53 -1.213 . . . . 0.0 108.317 -171.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -64.8 149.15 49.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.286 0.565 . . . . 0.0 111.083 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 88.4 mttt -90.73 178.85 5.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.254 176.166 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -94.54 13.2 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.583 0.706 . . . . 0.0 109.964 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.656 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.007 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.35 155.75 29.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 HG23 ' A' ' 70' ' ' VAL . 32.6 mm -95.34 127.44 47.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.496 ' SD ' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -110.52 149.73 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.939 0.399 . . . . 0.0 111.3 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 42.3 mtmt -63.86 155.22 31.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.79 -50.08 74.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.49 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.0 m -69.09 -41.56 77.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.476 0.655 . . . . 0.0 110.606 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' HE3' ' A' ' 26' ' ' LYS . 22.9 t70 -66.0 -41.71 90.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.583 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' HA ' HG22 ' A' ' 33' ' ' VAL . 54.2 t80 -61.36 -46.43 90.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.26 68.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.184 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 28' ' ' THR . 11.1 mptt -73.97 -45.02 52.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.018 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.8 m -77.55 -16.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.045 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.45 -20.81 63.54 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.181 0.515 . . . . 0.0 110.492 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -72.11 -31.56 66.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.533 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -105.39 18.37 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.521 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.51 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 7.7 m-85 -131.39 165.19 24.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.269 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.6 m -126.7 125.19 41.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HZ3' ' CG ' ' A' ' 86' ' ' ASP . 63.4 tttp -75.11 109.22 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.317 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -80.73 -11.82 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.11 178.62 20.83 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.779 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -106.59 154.15 21.31 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 19.5 pt -120.61 163.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -153.19 172.82 16.37 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.57 HG21 ' HB1' ' A' ' 54' ' ' ALA . 73.7 p -117.63 115.91 26.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.022 0.439 . . . . 0.0 111.885 -178.287 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 m -119.03 111.23 18.05 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.28 -14.63 0.26 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.362 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 58.83 77.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.338 0.59 . . . . 0.0 111.335 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.13 176.75 4.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -64.46 143.15 98.52 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.81 -46.47 27.37 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.278 2.652 . . . . 0.0 113.836 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 95.1 mt -71.02 -39.31 72.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.3 . . . . 0.0 110.68 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.88 -41.28 78.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.551 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.69 -33.93 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.008 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.85 -44.45 66.39 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.132 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.599 ' HA ' HD12 ' A' ' 59' ' ' ILE . 26.3 mm-40 -58.73 -37.64 76.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.999 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.629 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 26.6 t70 -72.21 -34.75 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.563 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.67 -41.28 99.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.189 0.518 . . . . 0.0 109.878 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 56' ' ' GLU . 20.5 mt -66.1 -40.43 87.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.069 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 30.0 mtpt -59.07 -57.93 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.763 174.362 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.1 -36.78 84.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.921 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.66 -43.85 97.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.935 0.398 . . . . 0.0 110.822 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -42.84 99.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.706 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.65 -34.07 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.512 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.92 44.68 3.54 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.871 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.26 143.95 25.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.92 -42.2 10.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.496 HG22 ' SD ' ' A' ' 25' ' ' MET . 98.4 t -125.54 139.48 51.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.831 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.609 HG12 HG22 ' A' ' 87' ' ' ILE . 31.2 m -125.83 143.27 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.77 122.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.442 . . . . 0.0 110.232 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.52 89.73 7.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -71.6 -47.66 53.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.813 174.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' A' ' 84' ' ' THR . 29.9 m 55.31 -159.35 0.2 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.628 170.284 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.94 119.38 3.29 Favored Glycine 0 N--CA 1.432 -1.615 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -59.34 -23.66 62.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.253 0.549 . . . . 0.0 110.804 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.7 p -84.91 69.79 10.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.294 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.704 ' HA ' HG23 ' A' ' 81' ' ' ILE . 31.3 tt0 -45.4 -41.36 9.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.623 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.25 -26.12 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -137.88 40.78 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.934 0.397 . . . . 0.0 110.999 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.704 HG23 ' HA ' ' A' ' 78' ' ' GLU . 12.4 pt -60.78 127.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -86.64 -9.22 56.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.225 167.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.534 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . 66.22 135.44 0.03 OUTLIER Glycine 0 C--O 1.226 -0.388 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.165 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.544 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -154.25 151.54 29.27 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 122.555 -0.379 . . . . 0.0 110.723 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 141.81 17.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 171.167 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.55 ' CG ' ' HZ3' ' A' ' 39' ' ' LYS . 1.8 t70 -114.29 120.04 39.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.609 HG22 HG12 ' A' ' 70' ' ' VAL . 24.5 pt -118.12 153.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.8 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 37' ' ' TYR . 19.5 m-85 -135.42 149.97 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.2 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -111.26 146.58 36.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.25 133.73 50.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.773 0.321 . . . . 0.0 110.868 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.9 mttt -77.74 -174.4 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.821 0.819 . . . . 0.0 111.622 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 3.1 pp -85.7 -8.76 57.99 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.216 167.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.0 mt-10 . . . . . 0 C--O 1.226 -0.164 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.992 0.425 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -141.37 167.11 22.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.78 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.689 HD13 HG23 ' A' ' 70' ' ' VAL . 31.4 mm -77.89 142.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.69 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -120.9 159.66 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.83 154.27 42.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.415 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -67.64 -35.28 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.199 0.523 . . . . 0.0 110.996 -174.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 p -70.65 -46.02 64.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.025 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -66.76 -30.67 70.94 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.084 175.959 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' HG22 ' A' ' 33' ' ' VAL . 65.9 t80 -57.6 -44.3 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.8 -31.13 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 110.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -83.73 -33.24 25.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.618 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 26.4 m -82.67 -10.88 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 122.372 -0.205 . . . . 0.0 110.528 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -14.38 17.77 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 121.368 0.604 . . . . 0.0 110.294 172.09 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -90.15 -32.02 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.924 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.25 -4.07 27.81 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 15.6 m-85 -120.11 176.97 5.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.153 0.502 . . . . 0.0 111.484 -174.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.4 m -141.81 162.09 36.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.338 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -108.78 109.81 21.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 pt -85.01 -3.21 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.459 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.07 169.6 11.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.951 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -106.45 150.67 25.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.444 HG13 ' HB3' ' A' ' 85' ' ' ALA . 24.0 pt -121.95 165.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.585 ' HB3' HG22 ' A' ' 84' ' ' THR . 1.4 p -147.31 172.16 14.31 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.804 0.335 . . . . 0.0 111.533 -177.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -96.55 129.68 43.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -145.5 135.31 23.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.372 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.68 -13.3 17.85 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.838 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.38 79.56 0.19 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.314 0.646 . . . . 0.0 111.966 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.8 mmt -102.4 -164.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.532 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -83.39 150.35 60.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.86 -52.59 7.92 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.491 2.794 . . . . 0.0 113.985 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.29 -26.52 58.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.63 0.252 . . . . 0.0 111.232 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.06 -34.15 57.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.297 0.57 . . . . 0.0 110.057 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.2 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.916 175.064 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -63.11 -42.71 99.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.932 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 19.3 mm-40 -54.4 -42.66 70.7 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.662 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.4 t70 -63.27 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.429 . . . . 0.0 109.98 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.9 mt -66.32 -47.15 74.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.212 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.55 -43.84 96.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 33.5 mmtp -73.3 -40.25 64.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.848 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.691 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.5 ttpt -61.64 -39.23 90.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.2 85.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.67 -36.92 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.973 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 57.2 mm-40 -56.16 -40.77 74.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.667 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -87.47 -25.65 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.349 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.78 86.37 1.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.604 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.33 160.45 28.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -104.38 -36.03 7.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.493 0.663 . . . . 0.0 110.264 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.55 142.07 43.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.825 HG12 HG22 ' A' ' 87' ' ' ILE . 27.8 m -124.23 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.82 108.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -74.87 90.43 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.683 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -2.34 46.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.292 178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.5 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 60.0 m -60.28 104.51 0.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.732 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.96 -77.03 0.66 Allowed Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -80.35 68.02 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.849 0.833 . . . . 0.0 109.999 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.767 ' HA ' HG22 ' A' ' 81' ' ' ILE . 13.3 m -92.81 80.84 4.67 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.434 -177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.63 -48.82 0.07 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.538 171.12 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -116.91 -79.89 0.6 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.521 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -81.84 51.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.486 0.66 . . . . 0.0 110.761 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 77' ' ' THR . 28.9 pt -58.35 117.24 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.653 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -152.44 25.91 0.59 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -80.97 -174.01 48.21 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.204 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 44' ' ' SER . 41.1 p -125.08 177.19 6.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.049 0.452 . . . . 0.0 111.032 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' HB3' HG13 ' A' ' 43' ' ' ILE . . . -144.55 132.06 20.95 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 168.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -102.44 117.26 34.34 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.825 HG22 HG12 ' A' ' 70' ' ' VAL . 19.8 pt -107.67 151.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-O 121.224 0.535 . . . . 0.0 110.681 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' TYR . . . . . 0.42 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 93.5 m-85 -136.28 143.23 44.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.29 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -111.2 139.06 46.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.05 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -75.8 141.42 42.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -72.1 -172.4 0.87 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.161 0.505 . . . . 0.0 111.308 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -102.12 -7.61 22.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.459 -169.682 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.138 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tmm? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.19 112.5 0.99 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.534 0.683 . . . . 0.0 111.254 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 m -67.48 133.47 49.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.338 -174.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.66 67.16 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.482 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -127.03 141.33 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -127.4 143.11 51.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.7 105.63 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.367 0.604 . . . . 0.0 110.61 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.6 ttp -109.92 94.2 4.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.649 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -116.38 154.86 29.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.357 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.36 98.66 0.14 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.77 128.34 52.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.639 0.257 . . . . 0.0 110.35 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 13' ' ' ALA . 2.5 pp -142.7 -21.28 0.66 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.508 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' N ' HD12 ' A' ' 12' ' ' LEU . . . -121.99 107.69 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.734 0.302 . . . . 0.0 110.655 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -157.76 106.14 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.34 101.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.639 0.733 . . . . 0.0 110.317 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.58 89.1 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.522 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 19.76 2.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.681 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -97.84 123.44 41.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.929 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 128.5 71.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.315 0.578 . . . . 0.0 110.696 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -107.01 165.73 11.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.813 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.35 142.48 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.107 0.254 . . . . 0.0 111.241 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -83.5 137.28 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -143.89 156.45 44.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.203 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.754 HD13 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -73.33 124.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.071 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.409 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 10.3 tpt -104.98 147.68 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.178 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -56.92 133.26 54.53 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -53.65 -38.56 64.23 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.327 0.392 . . . . 0.0 111.639 -174.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m -65.22 -52.38 55.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.323 . . . . 0.0 111.223 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.63 -39.41 88.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.135 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' HB2' ' HB3' ' A' ' 25' ' ' MET . 38.8 t80 -52.46 -48.45 65.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.374 0.607 . . . . 0.0 110.482 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -78.7 -31.33 46.51 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.885 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.17 -19.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.012 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.88 -21.87 63.72 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.154 0.502 . . . . 0.0 110.918 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.9 t -65.82 -24.1 66.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.191 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -119.94 32.09 6.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.438 0.637 . . . . 0.0 110.039 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.53 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.9 m-85 -135.08 161.51 35.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.463 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -121.0 152.66 38.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.945 -171.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -97.86 119.9 37.29 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.093 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 pt -101.14 -4.09 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.77 165.65 11.43 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.276 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -105.61 146.82 29.18 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.407 HD13 ' HB2' ' A' ' 62' ' ' ALA . 22.0 pt -112.63 164.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.638 ' HB3' HG22 ' A' ' 84' ' ' THR . 4.1 p -151.12 172.89 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 112.406 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.59 HG21 ' HB1' ' A' ' 54' ' ' ALA . 47.9 p -123.58 135.28 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.354 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -128.25 149.62 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.111 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.37 -103.83 3.04 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.381 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.7 128.19 3.29 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.353 -0.923 . . . . 0.0 109.659 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.566 ' HB2' HD11 ' A' ' 81' ' ' ILE . 84.4 mmm -141.87 169.66 17.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -86.73 143.32 35.48 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.683 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 12.1 Cg_endo -56.81 -55.93 2.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.288 1.992 . . . . 0.0 112.75 -172.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.81 -32.4 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.74 0.305 . . . . 0.0 111.064 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 50' ' ' SER . 38.4 t70 -68.38 -39.7 81.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.022 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.59 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -69.07 -37.74 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.682 176.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.683 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 38.0 mtt180 -57.26 -57.62 11.81 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.2 mt-10 -60.85 -35.89 77.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 -176.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.973 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 29.4 t70 -66.57 -42.81 86.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.165 177.625 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD11 HG23 ' A' ' 45' ' ' THR . 24.1 mt -65.53 -46.07 81.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.038 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.41 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.545 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.973 ' HE3' ' HA ' ' A' ' 57' ' ' ASP . 23.2 pttp -68.27 -37.49 80.75 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.947 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.8 ttpt -63.67 -44.53 93.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.853 0.461 . . . . 0.0 111.219 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.513 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -62.64 -45.24 93.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.81 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.226 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.64 -35.93 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.339 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -83.22 4.64 25.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.422 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 80.97 66.31 1.63 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.177 173.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.46 158.41 20.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 110.238 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -40.48 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.506 0.67 . . . . 0.0 109.67 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -126.47 137.76 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.322 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.754 HG23 HD13 ' A' ' 24' ' ' ILE . 27.5 m -127.21 144.17 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.76 127.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.633 0.254 . . . . 0.0 110.503 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.35 88.57 5.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -70.66 -39.16 73.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.466 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.448 ' HB2' ' H ' ' A' ' 84' ' ' THR . 44.1 m -153.85 -176.65 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . 96.34 4.96 59.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.943 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 29.66 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.14 0.495 . . . . 0.0 110.083 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.502 ' HB ' HG22 ' A' ' 81' ' ' ILE . 11.2 m -76.75 -81.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' H ' HG23 ' A' ' 81' ' ' ILE . 3.7 tm-20 -176.81 -93.3 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 49' ' ' MET . 2.7 t-20 -102.84 -48.7 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.908 -0.495 . . . . 0.0 111.068 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.78 44.04 0.36 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.295 0.569 . . . . 0.0 111.356 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.0 pt -85.42 117.87 31.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.868 0.842 . . . . 0.0 113.106 -175.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -116.43 59.79 0.74 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.486 ' HA3' ' CA ' ' A' ' 75' ' ' GLY . . . -95.45 174.59 32.31 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.281 -167.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.1 p -137.69 139.79 40.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.123 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.13 54.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.48 ' OD2' ' HE1' ' A' ' 88' ' ' TYR . 33.1 t70 -106.22 122.14 45.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.513 HG21 ' HB1' ' A' ' 62' ' ' ALA . 26.0 pt -116.47 153.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.162 0.506 . . . . 0.0 111.936 -171.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.48 ' HE1' ' OD2' ' A' ' 86' ' ' ASP . 20.3 m-85 -133.72 149.64 51.49 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.563 0.696 . . . . 0.0 111.032 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 66' ' ' GLY . 54.2 tptt -113.56 141.49 47.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.253 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 3.9 ttmp? -67.36 139.63 57.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.677 0.275 . . . . 0.0 110.981 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 98.6 mttt -81.82 179.66 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.167 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HB2' ' OE2' ' A' ' 93' ' ' GLU . 74.3 mt -90.65 -8.95 48.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE2' ' HB2' ' A' ' 92' ' ' LEU . 2.4 mp0 -123.82 160.09 28.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.808 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -160.19 174.89 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.349 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -59.01 117.0 4.19 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.244 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 54.54 -159.37 0.17 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.934 0.771 . . . . 0.0 111.774 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -133.03 81.34 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.541 0.686 . . . . 0.0 109.806 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -160.54 151.91 19.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.814 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.808 175.686 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.5 66.88 9.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.726 0.774 . . . . 0.0 111.092 178.713 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -76.69 103.19 6.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.476 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.66 91.31 1.04 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.472 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -143.71 114.76 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 116.88 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.541 0.686 . . . . 0.0 110.1 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -88.55 101.56 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.395 0.616 . . . . 0.0 110.952 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.0 ttm -140.28 125.67 18.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.085 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 pp -60.29 153.26 22.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.366 0.603 . . . . 0.0 111.782 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.29 16.71 3.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.933 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.73 75.96 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.419 0.628 . . . . 0.0 111.371 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.0 mt -138.59 103.04 4.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.9 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.05 116.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.891 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -128.05 125.76 39.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.989 0.423 . . . . 0.0 110.911 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -148.04 108.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.13 134.4 46.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 p -120.17 141.79 49.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.98 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -160.78 147.66 15.37 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -150.59 130.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 110.694 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -139.76 80.83 1.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.669 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.11 61.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.313 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -62.24 118.84 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.091 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -128.8 152.44 48.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 HG23 ' A' ' 70' ' ' VAL . 25.7 mm -84.8 129.64 37.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mmt -109.32 152.08 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.15 0.5 . . . . 0.0 111.576 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -72.72 170.21 15.04 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.718 172.794 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -67.49 -41.36 84.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.534 0.207 . . . . 0.0 110.972 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 p -70.47 -45.31 65.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.978 0.418 . . . . 0.0 111.205 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.6 -42.9 99.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HA ' HG22 ' A' ' 33' ' ' VAL . 76.4 t80 -60.92 -42.19 97.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 111.093 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -80.77 -38.99 27.6 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.122 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.3 m -81.37 -25.05 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.472 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.79 -25.93 61.24 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.044 0.449 . . . . 0.0 111.032 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 t -61.4 -41.23 96.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.813 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' C ' ' HD1' ' A' ' 37' ' ' TYR . 16.9 mt-10 -97.38 24.73 6.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.359 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HD1' ' C ' ' A' ' 36' ' ' GLU . 3.5 m-30 -124.88 170.82 10.7 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -143.61 125.02 14.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.016 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -69.05 127.53 33.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.124 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.1 pt -115.33 4.76 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 112.001 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 164.77 12.18 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.812 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -105.25 153.54 21.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.107 0.479 . . . . 0.0 110.46 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 85' ' ' ALA . 15.9 pt -114.13 164.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 20.8 t -146.42 165.74 28.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 0.0 111.209 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 0.6 OUTLIER -136.36 149.06 48.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.737 -178.114 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t 179.99 155.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.708 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.531 ' O ' ' HD2' ' A' ' 80' ' ' LYS . . . 150.26 -109.62 0.44 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -167.4 31.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.457 0.646 . . . . 0.0 110.017 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.444 ' HA ' ' CE ' ' A' ' 49' ' ' MET . 10.9 mmt -91.24 168.14 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.072 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -66.36 143.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.725 ' HA ' HD11 ' A' ' 81' ' ' ILE . 35.6 Cg_endo -63.92 -28.87 67.03 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 121.898 1.732 . . . . 0.0 112.889 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -76.01 -42.58 47.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.158 173.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.12 -39.75 93.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.59 ' HB3' HD12 ' A' ' 81' ' ' ILE . . . -71.15 -31.28 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -67.26 -49.46 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HA ' HD12 ' A' ' 59' ' ' ILE . 11.6 pt-20 -65.59 -26.91 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.678 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.71 -44.08 87.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.36 -49.84 70.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.831 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.3 mt -56.89 -44.1 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.668 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -73.2 -33.78 65.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.659 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 64' ' ' GLU . 18.9 mtpp -72.08 -40.28 68.36 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.178 0.513 . . . . 0.0 112.167 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.11 172.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.53 -32.89 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 61' ' ' LYS . 21.4 mt-10 -61.04 -42.91 99.38 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.746 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -79.19 -14.79 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 110.709 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 79.91 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.002 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -118.57 146.11 44.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.918 0.389 . . . . 0.0 110.19 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.47 -51.26 4.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.408 ' CG2' ' HE2' ' A' ' 37' ' ' TYR . 44.7 t -127.91 141.03 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.867 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.652 HG12 HG22 ' A' ' 87' ' ' ILE . 27.0 m -119.38 143.17 31.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.5 t -119.45 105.73 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.09 93.09 5.1 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -67.12 -33.16 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.2 p 60.67 161.59 0.05 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.797 1.239 . . . . 0.0 112.613 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . -88.19 -37.69 7.6 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.42 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 60.58 32.66 20.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 122.35 1.071 . . . . 0.0 108.783 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.773 ' HB ' ' HA ' ' A' ' 81' ' ' ILE . 3.2 m -89.26 -31.98 17.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.978 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 71.37 -54.02 0.67 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.43 0.692 . . . . 0.0 112.239 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -52.26 -72.35 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.511 0.724 . . . . 0.0 111.965 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 53.0 pttt -139.46 4.84 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.451 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.773 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 5.8 mt 62.38 155.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.835 -175.27 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' THR . 8.8 t-160 -158.6 27.2 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.665 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -103.09 -163.05 25.68 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.988 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 16.0 p -137.95 179.28 6.53 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.372 0.606 . . . . 0.0 112.095 -171.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -154.88 133.56 12.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.553 169.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -112.17 127.17 55.86 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.652 HG22 HG12 ' A' ' 70' ' ' VAL . 30.4 pt -115.95 153.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-O 121.3 0.571 . . . . 0.0 112.15 -170.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -131.48 145.73 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.865 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -108.99 165.54 11.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.0 142.5 38.23 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.43 177.43 1.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 0.0 110.953 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 93' ' ' GLU . 4.2 pp -86.07 -24.28 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HG3' HD12 ' A' ' 92' ' ' LEU . 31.7 mt-10 -84.44 101.99 12.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.601 173.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -145.99 -175.31 4.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -171.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.6 t60 66.15 70.0 0.43 Allowed 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.785 0.678 . . . . 0.0 110.116 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -105.99 25.48 10.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 77.18 138.14 0.06 Allowed 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.054 0.846 . . . . 0.0 111.197 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -171.5 165.45 6.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.143 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.727 178.17 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.751 0.31 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -173.45 112.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.535 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 m -153.54 131.8 11.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.17 123.46 0.67 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.741 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.9 161.2 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.828 0.347 . . . . 0.0 110.441 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -97.47 101.15 12.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.184 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.11 132.53 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.052 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.449 ' O ' ' HG2' ' A' ' 8' ' ' MET . 0.9 OUTLIER -153.32 89.13 1.33 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.54 0.686 . . . . 0.0 110.236 176.051 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.45 77.56 1.71 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.241 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.02 141.5 15.37 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.271 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.06 105.85 2.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.8 mt -88.4 85.78 6.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.336 0.589 . . . . 0.0 110.046 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.22 99.97 3.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.57 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -155.46 101.72 2.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.004 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -110.3 138.34 38.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.32 103.58 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.934 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 p -133.19 158.6 42.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -137.55 102.33 4.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 110.14 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.23 152.89 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.812 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -66.49 169.39 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.521 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.07 94.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.564 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.77 82.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.09 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -146.58 179.62 7.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.579 HD13 HG23 ' A' ' 70' ' ' VAL . 12.3 mm -85.34 146.35 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.073 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -128.6 164.01 23.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.597 0.237 . . . . 0.0 110.774 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.9 140.15 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.725 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 62.3 mttp -71.92 -25.77 62.03 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.2 m -65.36 -50.04 67.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.855 0.36 . . . . 0.0 110.355 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.95 -40.26 87.49 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' HB3' ' HA ' ' A' ' 27' ' ' LYS . 62.5 t80 -54.33 -47.3 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.338 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.75 -33.3 75.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.996 0.427 . . . . 0.0 111.157 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -29.47 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.002 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 30' ' ' PHE . 27.6 m -86.44 -19.28 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.829 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.43 -26.08 52.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.328 0.585 . . . . 0.0 110.344 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -59.62 -42.39 92.56 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.252 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' C ' ' HD2' ' A' ' 91' ' ' LYS . 5.2 mt-10 -120.47 37.82 4.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.983 0.897 . . . . 0.0 110.886 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.11 -176.46 3.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.15 173.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.3 m -136.51 135.36 38.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.116 0.484 . . . . 0.0 112.038 -174.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.2 122.22 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.393 172.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG13 HG13 ' A' ' 87' ' ' ILE . 15.7 pt -116.01 5.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 0.0 111.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.27 175.05 18.3 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.376 172.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 m -105.57 151.63 24.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.8 pt -124.5 164.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.587 ' HB3' HG22 ' A' ' 84' ' ' THR . 10.3 p -142.07 179.83 6.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.825 0.345 . . . . 0.0 111.508 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.454 HG21 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -126.8 131.4 51.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.641 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -124.28 162.15 24.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.944 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.7 -25.29 21.97 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.375 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 29.3 mt-10 62.69 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.46 0.648 . . . . 0.0 111.618 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.6 mtm -119.19 -177.6 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.797 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 m -59.74 146.49 80.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -58.85 -40.92 67.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.606 2.204 . . . . 0.0 112.864 -172.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.642 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.2 tt -67.26 -41.71 85.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -42.38 98.94 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.05 0.452 . . . . 0.0 110.302 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' CB ' HD11 ' A' ' 81' ' ' ILE . . . -65.99 -34.85 79.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.848 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.642 HH21 ' HG ' ' A' ' 52' ' ' LEU . 23.5 mtm180 -60.15 -49.28 78.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.009 175.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 60.5 mt-10 -62.02 -34.07 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.726 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 25.1 t70 -65.74 -45.55 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.22 -51.12 67.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.852 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -49.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.186 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -73.19 -32.16 64.65 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.726 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.8 ttpt -67.42 -43.38 81.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 109.997 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 67' ' ' ALA . . . -60.35 -50.68 72.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.168 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.03 -43.12 81.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.165 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.66 -27.74 69.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.649 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -94.33 5.31 52.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.128 0.49 . . . . 0.0 110.071 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 90.53 11.91 61.74 Favored Glycine 0 C--O 1.225 -0.464 0 CA-C-N 115.716 -0.675 . . . . 0.0 114.043 171.224 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.626 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -67.3 146.73 53.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.444 0.622 . . . . 0.0 111.927 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' OD1' ' HD2' ' A' ' 89' ' ' LYS . 2.1 m-20 -104.38 -43.92 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.2 t -119.87 137.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.072 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.635 HG12 HG22 ' A' ' 87' ' ' ILE . 35.2 m -116.46 144.52 23.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -134.79 125.03 45.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.744 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.69 94.68 9.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.058 0.456 . . . . 0.0 110.107 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 p -85.23 -30.55 23.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.231 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -84.75 -150.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.931 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.42 -151.78 8.46 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.7 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.629 ' HG3' HG21 ' A' ' 81' ' ' ILE . 34.7 tt0 -178.35 105.68 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 20.9 m -62.28 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.507 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 27.2 tt0 173.56 -83.93 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.107 0 O-C-N 123.289 0.368 . . . . 0.0 110.728 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -65.02 -32.94 74.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 45.8 pttt -138.13 139.16 39.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 76' ' ' GLN . 28.6 pt -152.49 151.36 11.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -123.07 33.15 5.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.815 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.71 152.6 30.9 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.606 -173.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 44' ' ' SER . 73.1 p -123.09 135.43 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.52 133.21 56.05 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -101.08 127.82 47.44 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.635 HG22 HG12 ' A' ' 70' ' ' VAL . 22.6 pt -115.33 152.67 16.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.624 0.726 . . . . 0.0 112.366 -169.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -126.25 149.54 49.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.337 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB2' HD13 ' A' ' 40' ' ' ILE . 38.2 tptt -115.97 140.64 49.05 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.983 -176.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' HE3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -71.71 134.11 46.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.409 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 76.8 mttt -79.56 172.94 13.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.613 0.72 . . . . 0.0 110.849 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -101.73 3.58 39.74 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 172.32 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.566 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 25.3 tt0 -85.09 81.16 8.99 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.914 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -177.79 171.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.625 -1.171 . . . . 0.0 108.945 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -96.41 133.47 40.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.826 0.346 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -56.24 132.9 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.277 -176.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -74.45 137.4 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.97 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.543 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 39.8 p-80 -55.27 117.88 3.91 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.543 ' HB2' ' O ' ' A' ' 98' ' ' HIS . 64.0 t60 . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.239 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 62.28 84.64 0.14 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.728 0.643 . . . . 0.0 111.159 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -169.76 10.38 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.64 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.19 62.3 4.58 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.018 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -109.31 130.5 55.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -118.69 129.4 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.813 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.73 131.05 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.03 0.443 . . . . 0.0 110.945 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.6 ttp -161.39 150.58 16.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.604 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HG ' ' H ' ' A' ' 10' ' ' GLY . 1.1 pt? -133.9 -59.13 0.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.56 0.219 . . . . 0.0 110.757 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.627 ' H ' ' HG ' ' A' ' 9' ' ' LEU . . . 98.2 -160.06 20.66 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.108 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.46 148.13 32.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 pp -148.31 148.17 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.812 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.66 101.63 0.58 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.095 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -119.93 94.99 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.643 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -177.67 129.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.482 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.8 -43.21 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.735 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m 56.69 77.12 0.27 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.682 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -94.63 137.83 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -123.93 136.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.967 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -159.49 134.07 7.84 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.77 56.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.607 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -61.36 127.99 34.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.991 177.506 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -132.66 157.98 43.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.147 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.679 HD13 HG23 ' A' ' 70' ' ' VAL . 25.8 mm -85.24 144.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.1 mmm -128.35 155.53 44.52 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -71.78 154.46 41.29 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.543 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -51.83 -52.78 46.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.541 0.525 . . . . 0.0 112.162 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 55.4 m -63.98 -50.47 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 111.022 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -69.77 -35.42 74.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' HA ' HG22 ' A' ' 33' ' ' VAL . 74.4 t80 -63.5 -41.82 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.261 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.39 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 0.0 110.864 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.3 mptt -81.14 -39.47 25.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.2 m -84.55 -9.97 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.555 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.8 68.39 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.502 0.668 . . . . 0.0 109.852 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -76.85 -28.4 55.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.629 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -93.85 -1.73 54.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.209 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.98 -178.71 3.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m -143.99 125.66 15.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' A' ' 41' ' ' GLY . 21.9 ttpt -79.3 128.6 33.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 0.0 111.042 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.08 -14.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' A' ' 39' ' ' LYS . . . 150.82 162.74 10.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.856 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.89 148.64 27.37 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 62' ' ' ALA . 28.6 pt -116.54 164.34 12.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.582 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.7 p -153.03 173.21 15.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.924 0.393 . . . . 0.0 111.453 -177.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.703 HG23 HD21 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -135.5 138.72 43.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.21 177.476 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.9 m -144.49 98.47 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.458 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.43 -137.38 3.26 Favored Glycine 0 N--CA 1.435 -1.411 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.893 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -156.05 95.97 1.67 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.677 0.751 . . . . 0.0 111.666 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.582 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 88.6 mmm -132.67 177.95 7.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.609 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 15.0 m -65.46 143.7 98.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.09 -47.36 20.57 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.478 2.119 . . . . 0.0 113.519 -174.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tt -75.26 -37.59 60.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 50' ' ' SER . 37.1 t70 -67.34 -39.66 85.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.982 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 49' ' ' MET . . . -71.45 -33.46 69.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.647 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 55' ' ' ARG . 37.3 mtm180 -65.92 -48.74 70.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -60.67 -35.12 75.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 29.8 t70 -63.31 -43.34 98.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.972 0.415 . . . . 0.0 109.96 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.703 HD21 HG23 ' A' ' 45' ' ' THR . 23.1 mt -64.43 -52.31 58.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.3 mt -60.78 -48.35 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.3 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -69.39 -33.88 73.69 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.762 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -69.8 -44.19 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.763 0.315 . . . . 0.0 110.866 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.82 -42.27 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 0.0 110.222 172.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -58.62 -42.34 87.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.057 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.06 -37.14 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.76 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -67.16 -25.67 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.3 56.27 0.46 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.676 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -106.88 143.63 34.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -97.29 -40.86 8.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.413 0.625 . . . . 0.0 109.688 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.77 137.24 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.39 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG23 HD13 ' A' ' 24' ' ' ILE . 19.2 m -127.63 144.46 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.309 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.9 t -131.56 124.05 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.236 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.34 105.37 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.691 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -0.7 55.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.255 0.55 . . . . 0.0 111.07 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -61.39 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.637 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.02 76.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.158 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -127.16 -87.85 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.883 0.373 . . . . 0.0 110.736 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t 177.28 122.96 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -24.25 -63.53 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -56.05 -34.48 65.94 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -168.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -134.01 45.38 2.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.8 pt -49.14 117.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.821 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.601 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.0 t-160 -125.78 61.86 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.377 -1.283 . . . . 0.0 107.643 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.9 169.68 21.21 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.537 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 44' ' ' SER . 17.3 p -125.28 163.61 22.14 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.544 0.338 . . . . 0.0 110.207 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -143.45 132.67 23.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 171.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.07 119.9 40.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.182 0.515 . . . . 0.0 109.954 -173.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.66 HG22 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -116.88 153.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.145 -171.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.94 148.87 48.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.762 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -107.19 153.02 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.674 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -73.63 145.96 44.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -83.65 -168.15 2.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.309 0.576 . . . . 0.0 110.85 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 pp -110.42 6.8 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -100.79 122.13 42.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.724 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -84.36 112.52 20.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.112 0.482 . . . . 0.0 110.212 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -86.58 25.27 1.27 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.074 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.6 t60 64.63 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.399 0.619 . . . . 0.0 111.699 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 11.2 t-80 -129.95 -77.65 0.54 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 97' ' ' HIS . 2.4 t60 167.53 -60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.109 169.121 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -133.28 126.15 30.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 p -131.41 170.61 14.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.548 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.69 23.45 10.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.06 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -142.43 111.6 6.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.272 0.558 . . . . 0.0 111.307 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -171.91 90.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.443 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.99 152.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 111.378 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.9 ttp -134.52 104.81 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.8 tp -113.13 105.81 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.175 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 94.09 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.661 177.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.57 99.32 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.74 0.305 . . . . 0.0 110.437 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.5 mt -139.83 114.95 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.443 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.8 113.56 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.962 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -121.35 114.69 21.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.712 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -110.28 139.38 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.9 164.43 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.84 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -122.03 -75.86 0.59 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.542 0.21 . . . . 0.0 110.883 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 62.54 31.92 16.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.01 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.94 126.12 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.046 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -139.49 139.7 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.591 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.65 110.5 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.92 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -112.06 164.05 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.529 . . . . 0.0 111.51 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mm -95.64 139.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.665 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mmt -135.27 156.45 48.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 111.067 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.77 -174.76 4.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.867 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 9.1 tmtt? -82.44 -34.24 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 40.4 p -66.15 -49.72 66.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.964 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.88 -38.84 89.81 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.036 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 t80 -56.49 -46.94 80.21 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.874 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.24 -32.23 72.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.306 0.575 . . . . 0.0 110.737 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.4 mptt -83.77 -30.12 26.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.811 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.2 m -88.14 -24.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.553 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.78 -22.04 63.69 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 0.0 110.982 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -56.28 -32.0 64.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.641 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.34 18.96 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.637 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.7 m-85 -127.39 168.59 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 91' ' ' LYS . 92.0 m -145.82 131.07 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.051 -177.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -75.93 112.09 11.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -91.31 -16.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.687 0.279 . . . . 0.0 111.511 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.11 -179.18 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -106.95 153.73 22.12 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.418 HG13 HD22 ' A' ' 58' ' ' LEU . 28.1 pt -129.14 163.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 t -152.26 175.09 13.0 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.674 HG21 ' HB1' ' A' ' 54' ' ' ALA . 6.3 p -102.27 140.2 36.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.5 m -122.43 108.04 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.262 0.553 . . . . 0.0 110.581 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.56 -111.78 0.79 Allowed Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 179.99 101.77 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.811 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.5 mmt -132.52 164.25 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.762 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.62 154.33 93.47 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.469 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.9 Cg_endo -47.39 -55.41 3.97 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.595 2.864 . . . . 0.0 114.022 -172.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 mp -68.03 -32.18 72.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.617 0.246 . . . . 0.0 111.248 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.25 -39.19 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.108 0.48 . . . . 0.0 109.941 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.13 -32.21 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.19 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 98.0 mtt180 -61.82 -47.51 84.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.692 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 40.8 mm-40 -57.13 -40.39 77.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.051 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.3 t70 -62.79 -43.69 98.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.474 0.654 . . . . 0.0 109.728 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.418 HD22 HG13 ' A' ' 43' ' ' ILE . 91.6 mt -64.22 -49.93 70.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.53 -46.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.252 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -72.99 -34.88 66.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.427 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.1 ttpt -67.39 -41.61 84.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.683 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 43' ' ' ILE . . . -66.12 -37.9 86.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.404 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.44 -42.69 96.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.704 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.42 -38.09 79.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -79.56 -23.36 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.25 44.21 3.06 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.772 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.97 33.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.496 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 3.3 m-20 -84.1 -44.05 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.494 0.664 . . . . 0.0 110.189 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.25 140.07 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.997 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.617 HG12 HG22 ' A' ' 87' ' ' ILE . 33.3 m -123.24 143.15 37.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.0 t -122.16 109.26 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -77.33 84.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.193 0.521 . . . . 0.0 110.536 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -75.38 -39.55 59.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.83 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.889 ' HA ' ' H ' ' A' ' 84' ' ' THR . 46.1 m 57.73 -164.64 0.17 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.505 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.43 -103.62 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.912 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -131.96 -3.31 3.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.8 t 178.52 127.09 0.06 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.534 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.43 2.55 0.4 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.625 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -48.57 -50.99 29.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.827 0.451 . . . . 0.0 111.229 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -106.09 11.72 31.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 82' ' ' HIS . 4.7 mt 61.78 -135.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.695 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.42 ' H ' HG22 ' A' ' 81' ' ' ILE . 36.4 t-80 66.67 91.4 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.922 0.889 . . . . 0.0 109.485 -171.278 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.67 134.96 12.52 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.656 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.889 ' H ' ' HA ' ' A' ' 74' ' ' SER . 1.6 m -128.91 154.81 46.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.98 133.56 17.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 111.576 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.16 120.48 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.617 HG22 HG12 ' A' ' 70' ' ' VAL . 28.6 pt -111.55 153.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.211 0.529 . . . . 0.0 111.945 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -137.51 141.89 41.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.265 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -110.73 162.33 14.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.458 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -77.02 144.6 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 34.0 mtpt -86.16 -172.14 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.686 0.755 . . . . 0.0 111.699 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -95.34 -20.1 19.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.057 175.098 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' OE2' ' HG ' ' A' ' 92' ' ' LEU . 14.2 mp0 -89.98 106.04 18.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.726 169.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -139.17 125.63 20.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -95.44 -7.06 39.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.181 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 61.65 89.35 0.08 Allowed 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.954 0.784 . . . . 0.0 110.352 176.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -63.49 111.48 2.35 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.651 0.739 . . . . 0.0 111.97 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -97.3 80.41 2.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.415 -174.774 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -64.21 111.64 2.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 111.501 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -163.92 141.06 6.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.591 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 105.18 0.25 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.866 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -114.52 152.17 32.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.887 0.375 . . . . 0.0 110.114 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -152.37 108.39 3.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.263 0.554 . . . . 0.0 110.808 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.81 86.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 110.62 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.6 mtp -136.41 86.25 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.937 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.73 -174.94 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.447 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.19 7.72 42.89 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.261 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.57 108.7 16.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.003 0.43 . . . . 0.0 110.545 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.15 125.06 51.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.974 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.53 89.42 7.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.281 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -87.94 -16.64 33.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.268 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.31 141.54 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.168 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -129.49 142.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -111.65 125.84 54.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.537 . . . . 0.0 111.001 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -85.89 118.34 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.876 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -146.55 118.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.201 0.525 . . . . 0.0 111.114 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -126.67 142.72 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.935 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.85 -65.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.231 -0.188 . . . . 0.0 111.343 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.59 90.13 0.05 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.918 0.761 . . . . 0.0 111.438 -176.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -129.18 161.84 29.19 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.703 HD13 HG23 ' A' ' 70' ' ' VAL . 39.6 mm -83.5 143.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.441 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 tpt -122.75 137.01 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.68 147.49 32.65 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 173.268 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.89 -45.62 74.7 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -66.77 -38.56 86.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.15 -41.03 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' HG22 ' A' ' 33' ' ' VAL . 45.3 t80 -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.3 -32.75 71.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 0.0 111.133 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -83.36 -32.45 26.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.524 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.7 m -85.14 -14.23 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.852 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.56 -27.13 64.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.275 0.56 . . . . 0.0 110.22 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -66.13 -37.66 86.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.429 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -102.25 18.66 20.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.33 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.609 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 15.2 m-85 -132.63 167.53 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 111.585 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.6 m -130.13 152.77 49.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.202 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -93.13 122.71 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.249 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 89' ' ' LYS . 12.2 pt -111.22 -2.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.922 0.392 . . . . 0.0 110.806 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.1 170.04 13.04 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.731 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 86' ' ' ASP . 4.0 m -105.24 151.42 24.12 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.11 164.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.497 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -158.3 175.75 13.34 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.981 0.42 . . . . 0.0 111.677 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -161.28 162.92 31.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.88 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 m -151.01 144.23 24.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.157 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.52 -122.34 1.09 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.528 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -155.97 40.34 0.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.694 0.759 . . . . 0.0 109.277 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 mmt -88.35 -168.92 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.943 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -99.38 149.21 35.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.4 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -53.6 -46.4 34.04 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.912 2.408 . . . . 0.0 113.343 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.51 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.6 mp -75.28 -34.14 61.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.914 0.388 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.98 -46.14 82.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.09 71.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.677 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.51 HH21 ' HG ' ' A' ' 52' ' ' LEU . 37.5 mtm180 -64.49 -48.04 76.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.097 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -62.21 -35.25 78.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.13 -45.61 84.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.84 -49.68 50.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.92 -41.45 90.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.266 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.0 mmtm -73.58 -29.59 62.51 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 64' ' ' GLU . 21.6 mtpp -75.13 -39.27 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.392 0.615 . . . . 0.0 111.464 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.55 -44.79 81.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.252 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.15 -34.88 79.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.273 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 22.7 mt-10 -64.74 -22.1 66.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.141 174.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -87.77 -12.52 44.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.55 9.36 58.94 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.727 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -61.53 146.5 48.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.404 0.621 . . . . 0.0 111.951 -176.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 3.3 m-20 -99.32 -45.34 5.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.197 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -122.7 138.72 51.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.913 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.703 HG23 HD13 ' A' ' 24' ' ' ILE . 34.9 m -122.14 143.03 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.826 0.346 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.38 104.99 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.4 96.17 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.441 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -72.91 -43.41 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.566 ' HA ' ' H ' ' A' ' 84' ' ' THR . 86.7 p 54.24 -171.78 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.552 -1.204 . . . . 0.0 113.794 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.92 106.88 0.66 Allowed Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -79.79 88.32 5.24 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.114 0.959 . . . . 0.0 109.873 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 80' ' ' LYS . 8.7 m -135.2 -95.5 0.26 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.811 -1.541 . . . . 0.0 110.623 168.517 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -179.65 -70.55 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.79 -51.01 3.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 111.109 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 77' ' ' THR . 19.9 ptmt -77.83 45.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.493 0.664 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.97 125.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.691 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -96.66 95.55 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.34 142.28 38.81 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.566 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -146.55 141.63 27.18 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.776 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.17 14.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.765 0.317 . . . . 0.0 110.526 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HA ' HG23 ' A' ' 42' ' ' THR . 36.8 t70 -103.1 121.27 42.26 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.604 HG22 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -114.95 153.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.52 0.676 . . . . 0.0 112.373 -167.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -130.75 152.62 49.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.738 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.513 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 46.5 tptt -119.49 142.17 48.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.473 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -65.85 141.16 58.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.629 0.252 . . . . 0.0 110.587 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.609 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.3 mttt -77.74 178.76 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.449 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.57 -4.76 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.166 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.64 79.86 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.288 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 13.4 p-80 -114.12 91.26 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.527 0.679 . . . . 0.0 109.743 176.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -113.42 118.21 33.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.286 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 68.52 177.46 0.26 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.927 0.767 . . . . 0.0 109.739 -175.497 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -150.79 39.29 0.7 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 25.9 m170 64.06 -91.94 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.398 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.665 -0.683 . . . . 0.0 109.305 175.149 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -103.09 3.48 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 0.0 111.317 -173.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 m -72.47 115.63 11.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.853 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.8 136.08 4.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.067 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -163.07 158.53 22.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.523 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -130.06 143.54 50.85 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -113.97 110.21 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.652 0.739 . . . . 0.0 111.133 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.25 22.52 13.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.026 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.89 108.43 0.66 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.95 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.45 155.38 26.41 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.53 143.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.542 0.337 . . . . 0.0 110.374 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 12' ' ' LEU . 3.5 pp -149.96 140.78 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.499 . . . . 0.0 111.127 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.4 98.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -129.97 121.05 25.8 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 t 50.2 86.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.244 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.47 139.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 t -154.16 109.84 3.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.969 0.89 . . . . 0.0 110.607 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -102.91 75.99 1.44 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.224 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.334 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -65.98 -57.18 8.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 68' ' ' ASP . . . 66.63 -176.53 0.19 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.667 172.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' H ' ' HA ' ' A' ' 68' ' ' ASP . . . 55.17 59.52 3.94 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.538 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -104.97 161.11 14.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.74 HD13 HG23 ' A' ' 70' ' ' VAL . 26.3 mm -92.63 133.21 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 175.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.408 ' SD ' HG13 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -113.86 136.02 53.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -69.37 158.6 34.76 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.596 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -62.66 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -63.83 -38.07 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.41 . . . . 0.0 110.712 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.41 -32.82 54.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.743 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' HA ' HG22 ' A' ' 33' ' ' VAL . 84.9 t80 -59.87 -49.66 76.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.522 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.67 -31.08 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 0.0 110.588 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -80.45 -37.78 31.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.711 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.586 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 33.0 m -85.21 -11.8 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.334 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.21 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.571 0.7 . . . . 0.0 110.035 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.5 t -87.51 -12.27 46.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.53 0.39 8.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.673 -175.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.586 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 77.1 m-85 -130.68 162.08 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.4 m -131.92 129.95 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 111.745 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 39.4 ttmt -72.63 129.76 39.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.354 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' HE3' ' A' ' 65' ' ' LYS . 21.4 pt -103.33 -4.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.0 110.886 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.435 ' H ' ' HG2' ' A' ' 39' ' ' LYS . . . 142.41 174.88 15.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -105.4 151.46 24.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG13 HD22 ' A' ' 58' ' ' LEU . 17.5 pt -126.53 165.01 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.607 ' HB3' HG22 ' A' ' 84' ' ' THR . 2.7 p -156.79 171.41 20.44 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.0 111.927 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -155.31 150.76 27.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.044 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -175.0 144.72 0.77 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.983 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.82 -97.34 0.17 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.11 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.08 88.4 1.02 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.6 mtt -145.58 -173.23 4.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.588 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -94.52 153.43 40.32 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.86 -32.0 90.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.118 1.879 . . . . 0.0 111.906 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.0 mt -71.02 -41.45 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -62.97 -39.61 95.21 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 109.907 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.673 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -64.16 -42.47 96.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.546 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.2 -46.89 84.93 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.228 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.46 -36.65 78.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.608 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.737 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.6 t70 -62.38 -45.93 90.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.527 HD22 HG13 ' A' ' 43' ' ' ILE . 87.6 mt -62.91 -52.54 62.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.088 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.5 mt -62.12 -45.35 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.375 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.658 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 48.1 mtpt -73.4 -35.53 65.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.106 -177.591 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.737 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.4 ttpt -66.39 -39.53 89.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.29 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.54 -35.35 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.688 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 16.7 mm-40 -56.3 -36.74 69.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.531 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' ' 40' ' ' ILE . 32.5 ttpt -91.81 -26.21 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 110.25 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.35 60.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . . . -91.04 164.3 14.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.755 0.312 . . . . 0.0 110.293 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HA ' ' H ' ' A' ' 22' ' ' ALA . 11.3 m-20 -115.79 -30.98 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.443 0.639 . . . . 0.0 110.026 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 92.5 t -125.12 137.92 56.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.961 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.74 HG23 HD13 ' A' ' 24' ' ' ILE . 28.7 m -130.07 142.38 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.917 0.389 . . . . 0.0 110.157 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.52 106.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.83 88.4 1.33 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.444 ' H ' ' HA ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -61.13 -44.68 96.96 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.151 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m 67.56 177.88 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.159 0.912 . . . . 0.0 111.829 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.23 152.27 24.35 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 64.91 3.13 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.893 0.854 . . . . 0.0 109.636 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.637 ' OG1' ' HB2' ' A' ' 82' ' ' HIS . 2.7 m -129.47 -71.89 0.61 Allowed 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.455 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 70.24 -50.13 0.65 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.804 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -48.78 -70.28 0.09 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.856 0.462 . . . . 0.0 111.909 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 80' ' ' LYS . 15.6 ptpt -106.07 5.47 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 109.633 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 54' ' ' ALA . 6.0 mt 63.66 148.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 113.871 -1.513 . . . . 0.0 112.826 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.637 ' HB2' ' OG1' ' A' ' 77' ' ' THR . 1.2 m80 -156.46 28.92 0.34 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.816 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.589 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -76.0 139.55 24.45 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.294 -169.01 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 44' ' ' SER . 62.0 p -116.82 166.84 11.69 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.112 -0.544 . . . . 0.0 109.878 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -150.71 133.85 16.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.19 123.27 46.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.624 HG22 HG12 ' A' ' 70' ' ' VAL . 24.3 pt -115.12 152.25 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 0.0 111.792 -173.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.565 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 45.8 m-85 -137.37 155.18 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.792 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 67' ' ' ALA . 20.2 mtpp -116.34 159.12 22.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 82.9 tttt -82.95 136.72 34.45 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.652 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -98.09 -164.03 1.1 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.4 pt? -117.13 18.22 14.62 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -124.49 119.4 29.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.769 -172.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -141.35 179.2 6.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -74.42 -175.67 2.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.689 171.146 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -74.46 -33.6 62.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -73.84 112.6 10.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.998 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -105.17 67.89 0.8 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.509 174.392 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.518 0.199 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -92.38 75.52 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.773 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 m -154.05 116.14 4.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.146 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.67 68.19 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.628 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -113.02 107.77 16.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.58 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -119.52 115.0 23.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.829 0.823 . . . . 0.0 111.052 177.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 7' ' ' VAL . 4.9 p -169.93 100.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.324 176.239 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.62 -4.76 12.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.252 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.8 mt -131.63 142.23 49.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.245 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.78 -42.18 1.96 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.73 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.99 -176.19 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.821 -0.223 . . . . 0.0 110.918 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? 69.66 103.54 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.996 0.81 . . . . 0.0 111.241 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 -50.91 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 174.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 16' ' ' VAL . 12.5 p90 -161.94 139.67 8.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.862 173.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.567 HG21 ' H ' ' A' ' 97' ' ' HIS . 34.5 t -70.96 96.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.031 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG11 ' HE2' ' A' ' 90' ' ' LYS . 22.0 t -78.53 104.34 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.457 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 18' ' ' ASN . 32.9 m -90.15 74.97 7.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.416 0.627 . . . . 0.0 109.834 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 17' ' ' THR . 36.0 t-20 176.01 142.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.553 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -72.79 -16.67 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.838 ' HB3' ' HB2' ' A' ' 68' ' ' ASP . 4.5 t80 73.02 115.48 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.499 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 152.66 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -49.29 118.05 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.945 0.778 . . . . 0.0 112.276 -174.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -139.52 154.38 47.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.659 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mm -92.23 125.48 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.71 0.291 . . . . 0.0 110.242 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 12.6 mmt -99.46 156.12 17.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.673 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -66.21 156.98 32.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -64.12 -33.3 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.045 0.45 . . . . 0.0 110.686 -176.348 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 p -75.67 -51.0 13.75 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.814 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.9 m-20 -56.96 -39.02 73.8 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.276 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HA ' HG22 ' A' ' 33' ' ' VAL . 51.4 t80 -56.32 -44.8 80.3 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.269 0.355 . . . . 0.0 110.999 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.21 -31.54 72.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.751 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.01 -32.83 26.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.7 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.7 m -85.71 -21.33 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.989 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.63 -24.77 58.24 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.22 0.533 . . . . 0.0 110.933 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -56.81 -41.67 78.19 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.631 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.14 26.71 5.64 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.888 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 5.1 m-30 -121.49 169.75 10.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -170.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -147.89 130.82 16.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.302 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.15 123.19 33.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.898 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 pt -95.8 -4.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.845 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.98 165.17 10.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.368 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -106.9 155.44 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.401 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -125.99 163.29 27.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 2.2 p -161.24 168.65 23.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.449 HG23 HD21 ' A' ' 58' ' ' LEU . 9.1 p -145.9 142.79 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.945 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 m -153.73 128.41 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.222 -0.299 . . . . 0.0 110.67 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.2 -112.22 0.7 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.842 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.94 116.89 13.23 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -143.02 174.29 10.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.867 -176.55 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.652 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 15.5 m -99.17 143.98 27.4 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.33 -53.66 5.0 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.434 2.089 . . . . 0.0 113.416 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.562 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 7.8 mp -75.05 -31.73 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.547 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.652 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 7.8 m-20 -70.47 -34.73 72.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.65 75.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.061 0.457 . . . . 0.0 110.086 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD2' ' OE1' ' A' ' 76' ' ' GLN . 22.1 mtp180 -60.49 -42.48 96.41 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.87 -43.92 81.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.677 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.9 t70 -65.24 -41.55 94.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.423 0.63 . . . . 0.0 110.114 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD21 HG23 ' A' ' 45' ' ' THR . 73.8 mt -70.07 -51.16 34.1 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.288 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.51 -40.72 80.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.477 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.1 mmtm -70.18 -35.53 74.03 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.54 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.7 ttpt -71.74 -40.83 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.481 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.14 82.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.715 171.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -61.75 -43.05 99.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.394 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 25.6 mt-10 -61.81 -41.78 98.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.572 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -75.28 -25.92 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.061 0.458 . . . . 0.0 110.268 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.7 88.43 1.62 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.6 175.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . . . -128.49 149.37 50.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.838 ' HB2' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -93.17 -39.01 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 109.477 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' OD2' ' A' ' 68' ' ' ASP . 43.1 t -126.49 141.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.194 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 87' ' ' ILE . 48.6 t -119.51 142.79 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.443 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.12 113.41 37.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.02 94.97 8.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.857 0.36 . . . . 0.0 110.635 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.45 1.53 55.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.367 0.603 . . . . 0.0 111.712 177.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -54.63 144.27 22.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.082 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.02 87.59 1.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.023 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.609 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 22.8 tt0 -83.06 79.11 9.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.835 0.826 . . . . 0.0 111.334 -170.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 11.8 m -68.03 -78.62 0.06 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.583 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.81 -83.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.869 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 62.1 t30 -84.31 -49.2 8.97 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.172 0.51 . . . . 0.0 109.721 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.558 ' O ' ' HB ' ' A' ' 77' ' ' THR . 55.9 pttt -94.39 131.29 40.21 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.7 pt -153.44 135.2 5.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.328 -173.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.11 86.43 4.59 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 166.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.417 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . -83.31 142.69 21.41 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.497 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 2.2 m -155.26 151.14 27.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 132.54 10.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.8 116.66 32.35 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.449 HG22 HG13 ' A' ' 70' ' ' VAL . 24.6 pt -105.34 152.65 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.24 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -136.71 160.74 37.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.619 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 8.4 mmmm -128.62 158.79 37.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.424 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.573 ' HE2' HG11 ' A' ' 16' ' ' VAL . 13.7 mptt -64.1 150.87 44.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.907 0.384 . . . . 0.0 110.032 170.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -74.76 175.24 8.15 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.985 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.7 pt? -84.15 -22.79 30.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.667 0.746 . . . . 0.0 109.63 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.21 111.98 19.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.283 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -115.49 -38.24 3.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 52.47 84.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.259 0.974 . . . . 0.0 111.325 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -64.59 109.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.33 0.586 . . . . 0.0 110.98 -174.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.567 ' H ' HG21 ' A' ' 15' ' ' VAL . 53.3 t-80 -83.9 116.7 22.9 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.268 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -119.04 160.16 22.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.535 177.109 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.48 104.68 2.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.862 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 m -105.39 105.47 15.52 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.981 0.419 . . . . 0.0 110.113 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 20.14 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.833 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.92 97.91 0.52 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -107.96 119.12 38.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.345 -172.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.07 119.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.352 0.596 . . . . 0.0 110.692 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -129.25 95.19 3.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.497 0.665 . . . . 0.0 110.531 178.041 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.12 156.42 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.393 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.99 98.67 0.15 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.501 -0.639 . . . . 0.0 111.501 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.31 108.71 4.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 110.52 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 pp -157.8 131.3 7.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.406 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 81.53 1.31 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.041 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.32 106.35 8.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.362 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.64 94.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.02 106.6 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.572 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m -148.6 91.18 1.86 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -76.33 -48.3 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.712 -173.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG13 ' NZ ' ' A' ' 90' ' ' LYS . 5.3 p -127.52 134.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.772 0.32 . . . . 0.0 110.456 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.44 ' OH ' ' HA2' ' A' ' 66' ' ' GLY . 83.6 t80 -130.76 98.69 4.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.577 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.12 121.02 4.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.864 -175.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -63.39 100.4 0.25 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.581 0.551 . . . . 0.0 110.967 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' HB3' HG22 ' A' ' 69' ' ' VAL . 3.8 tp10 -93.2 153.77 18.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.338 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.46 154.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.514 ' HE1' HG11 ' A' ' 33' ' ' VAL . 22.1 mmt -130.54 144.36 51.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 112.598 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -82.09 152.32 26.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 163.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -57.71 -39.23 76.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.569 0.622 . . . . 0.0 111.27 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -60.16 -46.6 89.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -68.81 -39.87 79.84 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.458 ' HA ' HG22 ' A' ' 33' ' ' VAL . 39.0 t80 -55.5 -46.52 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.025 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.09 -32.06 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 0.0 110.726 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.13 -42.38 47.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.514 HG11 ' HE1' ' A' ' 25' ' ' MET . 24.3 m -80.58 -12.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.032 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -20.03 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 109.934 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 t -89.04 -16.4 31.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.502 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 94' ' ' HIS . 7.8 mt-10 -113.31 7.4 17.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.518 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.38 -179.7 5.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.39 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -142.6 128.96 20.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.746 0.307 . . . . 0.0 111.237 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -64.31 130.51 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.024 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.92 -6.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.693 0.282 . . . . 0.0 111.329 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.15 168.26 11.58 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -106.3 152.58 23.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.9 pt -125.6 163.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.467 ' HB3' HG23 ' A' ' 84' ' ' THR . 2.3 p -157.09 160.56 38.99 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.321 0.581 . . . . 0.0 111.581 177.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.449 HG23 ' HG ' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -113.2 130.5 56.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.954 175.084 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 m -153.04 118.24 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.753 0.311 . . . . 0.0 110.308 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.81 -119.29 0.87 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -134.96 99.02 4.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.296 0.238 . . . . 0.0 110.602 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.5 ' HB2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmt -150.94 -178.47 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 144.36 27.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -55.85 -52.01 8.39 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.051 2.501 . . . . 0.0 113.432 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.78 -37.1 85.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.08 -34.58 73.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.26 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.85 -38.62 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.323 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.25 -53.12 61.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.8 -43.19 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.898 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.0 t70 -68.48 -36.95 79.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.397 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 45' ' ' THR . 23.6 mt -66.11 -50.79 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.3 mt -62.98 -36.76 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.1 ttmm -68.74 -49.41 59.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.533 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 7.3 ttpt -67.48 -36.41 81.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.164 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.77 -47.83 76.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 170.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.29 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.225 0.536 . . . . 0.0 109.918 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 56.6 mt-10 -68.49 -38.27 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.879 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -71.43 -25.42 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' HA2' ' OH ' ' A' ' 20' ' ' TYR . . . 113.89 32.65 2.01 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.03 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.661 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -93.11 149.27 21.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.722 0.296 . . . . 0.0 111.058 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.9 t70 -110.57 -33.74 6.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.571 . . . . 0.0 110.41 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 23' ' ' GLU . 9.6 t -126.62 141.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.266 175.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.642 HG12 HG22 ' A' ' 87' ' ' ILE . 34.6 m -122.43 142.54 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.974 0.416 . . . . 0.0 110.022 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.48 103.01 14.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.79 86.12 4.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.748 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -17.32 57.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 173.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -50.23 126.02 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.673 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.24 -85.47 0.23 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.121 -1.037 . . . . 0.0 111.158 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -159.91 -60.62 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.5 m 52.82 86.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.166 0.916 . . . . 0.0 111.594 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -90.99 -22.02 21.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.625 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -44.61 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.006 0.816 . . . . 0.0 111.408 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -143.96 14.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.686 0.755 . . . . 0.0 109.207 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 83' ' ' GLY . 6.8 mt 65.81 149.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 113.972 -1.467 . . . . 0.0 112.733 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -164.43 31.08 0.07 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.619 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -68.81 141.85 37.17 Favored Glycine 0 CA--C 1.503 -0.718 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.971 -174.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -118.4 148.65 42.32 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 120.785 0.326 . . . . 0.0 110.54 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.06 132.64 25.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.77 122.47 47.22 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 67' ' ' ALA . 25.9 pt -115.82 153.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.693 0.758 . . . . 0.0 113.022 -168.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -131.5 153.3 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.457 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -109.24 148.32 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' NZ ' HG13 ' A' ' 19' ' ' VAL . 3.6 ptmt -72.94 156.32 38.97 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.985 0.422 . . . . 0.0 110.645 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -91.91 176.72 6.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.221 0.534 . . . . 0.0 110.439 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.569 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.8 pt? -107.24 6.15 28.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.96 -120.34 0.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 10.2 m-70 -58.68 142.39 49.84 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.659 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -171.34 112.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.334 174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -48.31 -52.68 20.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.96 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -176.69 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.646 0.736 . . . . 0.0 109.2 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -168.49 -48.22 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.422 ' HB3' ' HE1' ' A' ' 25' ' ' MET . 3.5 p-80 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 113.632 -1.622 . . . . 0.0 108.34 166.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.134 0.492 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -94.6 170.21 9.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.165 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m 77.35 132.22 0.05 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.895 0.747 . . . . 0.0 111.984 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.96 156.68 30.12 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -128.93 111.3 12.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.364 0.602 . . . . 0.0 112.153 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -114.39 101.53 9.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.751 169.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.7 m -81.33 129.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 0.0 111.147 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.88 115.83 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HB3' ' HE2' ' A' ' 91' ' ' LYS . 4.5 pp -125.64 155.16 41.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 175.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.55 29.97 1.99 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.554 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -100.02 169.74 8.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.666 0.269 . . . . 0.0 110.537 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' HG ' ' HB3' ' A' ' 95' ' ' HIS . 32.1 tp -160.69 -37.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.028 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -143.31 0.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.749 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -165.85 140.28 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG13 HG12 ' A' ' 16' ' ' VAL . 7.1 p -80.4 -42.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.154 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG22 ' H ' ' A' ' 18' ' ' ASN . 9.9 p -176.05 149.21 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t -86.88 -33.39 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.536 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.475 ' H ' HG22 ' A' ' 16' ' ' VAL . 51.1 t30 70.61 133.41 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 124.041 0.838 . . . . 0.0 111.43 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 p -76.95 -25.19 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.259 0.552 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -90.39 -170.26 2.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' A' ' 68' ' ' ASP . . . -88.93 -59.39 2.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -97.16 150.54 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.783 -177.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.97 152.71 33.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.846 HD13 HG23 ' A' ' 70' ' ' VAL . 29.6 mm -82.48 142.05 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.102 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 mmt -129.5 139.41 51.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.004 0.43 . . . . 0.0 111.618 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE3' ' OD1' ' A' ' 29' ' ' ASP . 40.5 mtmt -59.89 156.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.117 171.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -71.88 -22.54 61.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.74 0.305 . . . . 0.0 111.792 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.3 p -69.33 -50.06 49.97 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.228 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.5 m-20 -72.21 -29.7 64.22 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.321 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' HG22 ' A' ' 33' ' ' VAL . 60.4 t80 -56.6 -48.32 77.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.07 -33.58 75.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.164 0.507 . . . . 0.0 110.747 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.27 -37.94 43.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.656 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.659 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 22.5 m -82.95 -8.75 11.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.716 0.293 . . . . 0.0 110.718 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.72 -14.91 56.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.493 0.663 . . . . 0.0 109.977 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -93.32 -25.39 17.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.574 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 11' ' ' ALA . 15.7 mt-10 -99.15 -7.99 25.8 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.249 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.659 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 86.7 m-85 -129.87 163.91 25.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 0.0 111.169 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -127.61 152.5 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 41' ' ' GLY . 8.7 tppt? -78.67 133.46 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.136 0.574 . . . . 0.0 110.452 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.802 HD13 ' HG2' ' A' ' 89' ' ' LYS . 22.7 pt -125.54 15.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.411 . . . . 0.0 111.474 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' H ' ' HG3' ' A' ' 39' ' ' LYS . . . 110.86 167.79 19.08 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.702 175.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -106.4 158.25 17.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 pt -119.93 164.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -149.79 178.04 9.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.764 0.316 . . . . 0.0 110.476 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.711 HG21 ' HB1' ' A' ' 54' ' ' ALA . 1.6 p -127.8 131.28 49.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.4 m -154.87 131.96 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.07 -6.87 2.88 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.586 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 80' ' ' LYS . 39.5 mt-10 61.45 93.13 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.465 0.65 . . . . 0.0 111.305 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 83.0 mtp -135.64 -167.44 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.907 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 m -82.04 144.02 50.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.57 -42.5 26.28 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 82.7 mt -69.47 -39.61 77.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 0.0 110.288 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.82 -38.87 92.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.711 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -63.93 -43.09 96.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.78 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' HG2' HD11 ' A' ' 59' ' ' ILE . 16.8 ttt180 -58.4 -51.62 69.04 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 41.4 mt-10 -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.046 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 26.4 t70 -67.69 -43.52 79.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.102 0.477 . . . . 0.0 110.092 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.425 HD11 HG23 ' A' ' 45' ' ' THR . 34.7 mt -64.28 -49.42 71.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.967 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.504 HD11 ' HG2' ' A' ' 55' ' ' ARG . 53.3 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.287 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.65 -40.8 76.25 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.516 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.0 ttpt -68.08 -42.0 81.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.652 0.263 . . . . 0.0 111.392 -175.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.583 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -59.76 -47.31 86.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.108 0.48 . . . . 0.0 110.563 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.94 -39.4 91.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.53 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.31 -26.12 59.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.253 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -73.04 -21.02 60.87 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.6 -1.86 15.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.597 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 40' ' ' ILE . . . -56.29 148.36 18.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.901 0.35 . . . . 0.0 111.231 -176.141 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 7.6 m-20 -98.35 -37.89 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.627 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -125.41 138.86 53.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.77 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.846 HG23 HD13 ' A' ' 24' ' ' ILE . 16.8 m -123.63 142.25 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.022 0.439 . . . . 0.0 110.301 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -124.69 109.79 23.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.936 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -81.46 77.19 8.35 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -62.21 -41.16 98.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.312 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m 60.43 -172.8 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.015 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.97 -153.06 5.83 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -146.16 50.28 1.17 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 122.069 0.937 . . . . 0.0 110.824 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 9.4 m -132.19 78.85 1.83 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.066 174.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.33 -16.81 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.076 -172.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -55.75 -63.95 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.345 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.721 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -105.61 -9.08 17.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.407 0.622 . . . . 0.0 110.603 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 8.5 mt 63.2 148.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.157 -171.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -166.2 29.05 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.41 141.42 27.72 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.876 -176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -112.56 156.89 21.88 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.44 132.49 35.5 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.63 125.58 52.02 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.81 HG22 HG12 ' A' ' 70' ' ' VAL . 18.4 pt -116.0 153.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.464 0.649 . . . . 0.0 112.722 -169.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 74.1 m-85 -131.9 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.999 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.802 ' HG2' HD13 ' A' ' 40' ' ' ILE . 21.0 mmmt -109.92 159.54 17.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.156 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -63.66 157.71 23.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.386 0.613 . . . . 0.0 110.535 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HE2' ' HB3' ' A' ' 9' ' ' LEU . 30.5 mttp -95.55 173.47 7.48 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.728 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.2 pt? -93.43 -3.8 52.48 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.922 -176.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.52 116.83 22.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -145.2 106.53 4.2 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 39.2 p-80 -53.32 127.22 23.89 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.33 0.586 . . . . 0.0 110.786 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -86.66 169.51 12.63 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 66.66 96.11 0.06 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -63.77 -25.48 68.2 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -167.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 69.5 m80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.784 176.435 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.616 0.246 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -73.46 106.22 5.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -83.28 129.84 35.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.405 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.5 90.97 0.18 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.681 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -166.41 116.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -149.64 81.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.859 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -179.07 129.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.615 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -149.55 111.03 4.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.9 mt -124.36 -179.34 4.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.621 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 50.66 4.48 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.232 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.8 105.0 16.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.785 0.326 . . . . 0.0 110.193 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.35 150.91 30.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.02 129.2 12.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -141.83 119.71 11.94 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.725 HG13 HG23 ' A' ' 16' ' ' VAL . 7.1 p -174.2 166.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.635 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.725 HG23 HG13 ' A' ' 15' ' ' VAL . 48.7 t 77.0 86.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.694 0.759 . . . . 0.0 110.713 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -121.8 120.34 34.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.56 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -92.63 84.14 5.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 -173.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -87.66 131.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.79 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -122.57 147.44 46.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.933 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.86 114.59 3.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.653 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -58.11 104.24 0.19 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.829 0.706 . . . . 0.0 111.214 -176.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HB3' ' HE2' ' A' ' 25' ' ' MET . 3.3 tp10 -119.37 144.32 46.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.192 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.737 HD13 HG23 ' A' ' 70' ' ' VAL . 15.5 mm -83.6 129.26 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.474 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 21.2 mmt -114.17 157.93 22.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -79.71 151.48 30.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.98 -22.17 62.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 p -77.8 -53.67 7.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.5 -29.24 56.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.252 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' HA ' HG22 ' A' ' 33' ' ' VAL . 23.7 t80 -61.27 -43.07 99.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.68 -30.47 71.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -74.51 -45.37 46.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.9 m -74.44 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.767 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.59 43.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.983 0.42 . . . . 0.0 111.086 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -70.09 -31.11 68.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.785 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.46 13.21 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.505 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.512 ' CE2' HG23 ' A' ' 69' ' ' VAL . 9.0 m-85 -116.75 169.35 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.264 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 m -139.0 135.8 34.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.977 0.418 . . . . 0.0 110.907 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -76.11 122.18 23.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.163 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' A' ' 89' ' ' LYS . 13.2 pt -92.76 -17.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.402 175.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.75 14.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.006 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.14 152.43 22.81 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 85' ' ' ALA . 17.0 pt -117.24 163.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.523 ' HB2' HG22 ' A' ' 84' ' ' THR . 29.6 t -155.71 167.13 31.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.095 0.474 . . . . 0.0 110.534 -177.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.527 HG21 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -108.06 160.35 15.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.463 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -150.37 120.98 7.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.22 7.6 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.641 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.46 115.13 2.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.11 169.2 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.645 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 21.4 m -69.01 141.5 92.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.476 ' HA ' HD13 ' A' ' 81' ' ' ILE . 17.8 Cg_endo -60.27 -55.91 1.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.765 2.31 . . . . 0.0 113.709 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -72.53 -32.45 66.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 16.2 m-20 -71.2 -37.7 72.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.965 -178.394 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -70.84 -32.91 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.255 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -66.76 -43.78 83.18 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.3 tm-20 -56.42 -42.91 78.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.116 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 21.9 t70 -69.36 -33.32 72.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 0.0 110.57 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.417 HD11 HG23 ' A' ' 45' ' ' THR . 48.7 mt -66.0 -42.8 89.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.922 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 56' ' ' GLU . 29.4 mt -63.02 -41.97 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.685 178.187 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 35.1 mtpt -55.51 -52.97 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.765 174.019 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -62.37 -38.28 88.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.583 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.24 87.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.694 174.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.92 -41.97 90.73 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.45 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.18 -35.78 78.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.936 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -75.98 -34.29 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.826 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.53 18.96 10.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.33 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -65.49 145.32 56.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.47 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.3 t70 -96.61 -39.53 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 37' ' ' TYR . 39.9 t -114.46 135.17 55.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.093 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG12 HG22 ' A' ' 87' ' ' ILE . 22.2 m -127.23 142.0 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.95 128.34 62.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.453 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.62 99.73 11.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.484 . . . . 0.0 110.199 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -89.14 -10.68 46.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.416 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 p -46.36 124.87 6.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.573 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.16 -20.44 77.39 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.279 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.99 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.456 ' H ' HG22 ' A' ' 81' ' ' ILE . 1.4 p -93.98 -76.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -179.19 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.25 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -105.15 -47.77 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.518 0.675 . . . . 0.0 110.288 -175.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.01 44.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 51' ' ' PRO . 18.8 pt -78.24 129.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.634 0.73 . . . . 0.0 112.749 -173.758 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -113.61 38.12 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 168.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.65 141.89 35.83 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.409 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 44' ' ' SER . 45.9 p -106.47 169.5 8.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.209 0.528 . . . . 0.0 111.091 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -141.45 133.4 27.54 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -110.26 120.67 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.017 0.437 . . . . 0.0 109.916 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.737 HG22 HG12 ' A' ' 70' ' ' VAL . 23.6 pt -116.27 153.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.312 0.577 . . . . 0.0 112.359 -170.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -134.3 150.79 51.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.752 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 21.2 mmmt -113.46 157.98 21.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.264 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HE3' ' OH ' ' A' ' 37' ' ' TYR . 35.6 mttt -74.83 145.91 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -91.12 -174.93 4.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.887 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 93' ' ' GLU . 4.0 pp -95.93 -24.02 16.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.177 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 92' ' ' LEU . 35.3 tt0 -103.12 87.77 2.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.305 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -127.77 120.21 27.39 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.71 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -82.4 -19.02 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.07 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -74.14 110.67 8.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -113.06 -35.41 5.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.851 -175.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -98.8 152.16 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.339 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.633 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.421 0.153 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -114.52 109.93 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.976 0.417 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t -159.47 167.9 27.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.22 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.13 -152.98 18.12 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.25 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 69.59 154.47 0.12 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.448 0.699 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -142.26 -79.54 0.23 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.6 p -152.3 115.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.433 0.635 . . . . 0.0 111.36 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.548 ' HG2' HD12 ' A' ' 9' ' ' LEU . 27.4 ttt -146.19 164.48 32.12 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 8' ' ' MET . 11.2 mp 71.45 63.64 0.15 Allowed 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.597 0.561 . . . . 0.0 110.271 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.74 -63.39 3.36 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.34 77.9 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.539 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -151.41 122.62 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.04 101.99 3.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.003 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 66.81 167.51 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.26 1.028 . . . . 0.0 112.888 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.666 HG21 ' HG3' ' A' ' 93' ' ' GLU . 3.9 p -158.62 80.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 113.725 -1.579 . . . . 0.0 107.37 170.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.81 -35.73 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.02 -162.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.531 HG21 HG11 ' A' ' 33' ' ' VAL . 1.9 m -80.66 73.78 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.8 0.809 . . . . 0.0 111.035 -174.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -89.36 106.33 18.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.165 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.755 HG11 HG22 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -81.96 117.47 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 176.508 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -73.84 -26.92 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.479 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.86 170.58 9.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.636 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -56.81 110.46 0.81 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.614 0.572 . . . . 0.0 111.862 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -137.27 155.78 49.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.923 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.78 HD13 HG23 ' A' ' 70' ' ' VAL . 19.1 mm -84.43 133.71 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.0 mtp -120.61 -175.23 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.48 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 66.8 mttm -82.65 -163.79 0.76 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -103.61 -44.06 5.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.2 m -70.87 -47.89 56.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.423 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.3 p30 -69.52 -32.39 71.2 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.033 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' HG22 ' A' ' 33' ' ' VAL . 78.2 t80 -59.95 -40.67 89.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.034 0.445 . . . . 0.0 110.691 176.051 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.6 -33.75 76.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -83.17 -31.22 27.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.651 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.1 m -87.25 -12.28 10.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.902 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.1 -23.72 64.06 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.39 0.614 . . . . 0.0 110.211 174.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -62.01 -41.98 98.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.269 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -84.07 5.53 25.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.821 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' A' ' 69' ' ' VAL . 19.7 m-30 -127.5 178.83 5.83 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 111.482 -171.243 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -147.25 162.51 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -117.21 118.13 31.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.912 0.386 . . . . 0.0 110.903 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 67' ' ' ALA . 21.4 pt -84.58 -25.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.375 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.02 176.15 26.06 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.658 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -105.94 150.99 25.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 pt -124.69 164.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.634 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -145.64 176.0 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 112.687 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 2.3 p -123.77 138.6 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.492 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -143.67 108.44 4.9 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.959 0.409 . . . . 0.0 111.3 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.29 -119.35 0.89 Allowed Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.039 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -168.56 86.96 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.319 0.581 . . . . 0.0 110.608 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -136.24 168.07 20.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.768 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.9 m -67.06 148.55 98.84 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.629 0.252 . . . . 0.0 110.841 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.733 ' HD3' ' HG3' ' A' ' 78' ' ' GLU . 12.0 Cg_endo -54.74 -45.25 42.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.55 2.833 . . . . 0.0 113.9 -171.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 5.7 mp -71.51 -34.46 70.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.11 -38.51 88.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -60.84 -42.1 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.447 175.285 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 36.3 mtm180 -57.65 -57.53 12.32 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.971 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 59' ' ' ILE . 31.9 mt-10 -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.638 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 17.1 t70 -62.81 -47.01 85.29 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 85' ' ' ALA . 55.3 mt -62.39 -48.02 81.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.969 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.0 mt -59.81 -46.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.622 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -73.06 -30.89 64.04 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 120.757 0.313 . . . . 0.0 110.618 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -69.75 -43.07 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.33 86.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.15 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.75 -35.2 80.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.533 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.92 -41.81 82.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.417 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -73.65 -34.72 65.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.17 60.59 0.45 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.642 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -111.33 151.75 28.05 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.636 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 90.1 m-20 -104.74 -31.69 9.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.755 HG22 HG11 ' A' ' 19' ' ' VAL . 18.6 t -124.76 139.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.78 HG23 HD13 ' A' ' 24' ' ' ILE . 15.3 m -129.32 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.32 114.3 28.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.823 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.5 mt -84.03 84.74 7.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.398 0.618 . . . . 0.0 110.264 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.66 0.75 56.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.908 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 132.9 23.97 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.591 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.71 98.26 0.46 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 171.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.61 75.36 0.81 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 122.241 1.019 . . . . 0.0 111.021 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 m -79.99 -13.91 58.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.401 173.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.733 ' HG3' ' HD3' ' A' ' 51' ' ' PRO . 37.6 tt0 73.06 -70.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.665 0.786 . . . . 0.0 112.242 174.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -59.71 4.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 0.0 111.986 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -112.29 61.08 0.63 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.801 0.81 . . . . 0.0 110.312 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 54' ' ' ALA . 22.2 pt -49.25 122.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.309 -1.314 . . . . 0.0 112.866 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.614 ' HA ' ' O ' ' A' ' 45' ' ' THR . 67.6 t60 -148.79 48.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.07 166.17 15.43 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.623 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 44' ' ' SER . 21.5 p -112.97 153.49 27.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.541 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -121.12 134.39 55.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.38 115.11 29.76 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.643 HG22 HG12 ' A' ' 70' ' ' VAL . 30.3 pt -116.54 152.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.906 -171.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CD1' ' HZ ' ' A' ' 30' ' ' PHE . 5.7 m-85 -135.41 152.22 51.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.016 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -119.7 137.76 53.71 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.552 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 17.2 pttm -69.56 165.03 21.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.637 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -85.1 178.83 7.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.913 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.4 mt -89.76 1.56 55.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.067 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.666 ' HG3' HG21 ' A' ' 15' ' ' VAL . 21.1 tt0 69.57 162.19 0.22 Allowed 'General case' 0 CA--C 1.535 0.4 0 O-C-N 123.735 0.647 . . . . 0.0 111.363 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.543 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 15.4 m80 44.97 78.63 0.06 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.278 0.631 . . . . 0.0 112.671 174.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -143.3 146.1 33.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.581 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -137.63 155.71 48.87 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -71.45 -45.59 62.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.558 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 64.21 89.23 0.09 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.36 0.6 . . . . 0.0 111.425 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' A' ' 8' ' ' MET . 56.8 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.234 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -141.56 -59.51 0.48 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.622 -174.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -123.25 137.4 54.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 69.06 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.281 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -123.1 90.89 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.083 0.468 . . . . 0.0 110.903 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -128.13 84.36 2.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.088 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.79 146.2 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mtt -112.1 123.7 50.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.048 0.452 . . . . 0.0 110.886 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.9 132.1 53.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.62 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.52 113.02 0.55 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.086 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.01 143.86 44.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.76 160.9 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.509 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.81 86.18 0.13 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.895 0.747 . . . . 0.0 111.446 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -124.02 -25.21 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.743 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.27 163.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 111.896 -174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 m -99.91 134.91 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.707 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -100.27 144.41 29.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.104 0.478 . . . . 0.0 111.841 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -96.78 176.58 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.443 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -153.14 125.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.33 178.86 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.6 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 179.52 4.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.88 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -170.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 24' ' ' ILE . 35.2 tt0 -153.95 163.8 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.583 172.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.699 HD13 HG23 ' A' ' 70' ' ' VAL . 19.4 mm -77.15 144.08 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.433 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 26.2 mmt -119.3 169.19 10.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -82.74 153.97 25.02 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -55.04 -54.41 43.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.2 m -69.06 -42.13 76.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.959 0.409 . . . . 0.0 111.134 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -72.33 -37.63 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.643 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' HA ' HG22 ' A' ' 33' ' ' VAL . 45.7 t80 -62.55 -42.07 99.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 110.088 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.83 -30.65 71.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.847 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -87.2 -30.94 20.61 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.727 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 30' ' ' PHE . 31.4 m -82.3 -21.23 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.578 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -61.95 -14.7 37.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 111.094 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -64.45 -34.19 77.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.394 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 18.3 mt-10 -105.24 23.9 12.93 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.114 0.483 . . . . 0.0 111.002 175.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.626 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 27.9 m-85 -131.54 165.03 24.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 39' ' ' LYS . 4.8 m -140.17 169.06 18.39 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' H ' HG22 ' A' ' 38' ' ' THR . 19.9 ttpt -112.43 135.57 52.97 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.995 -0.441 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' A' ' 65' ' ' LYS . 14.7 pt -107.21 -13.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.74 169.08 16.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.236 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 m -105.75 156.07 18.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 pt -132.66 166.0 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.653 0.263 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -150.43 161.4 42.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.442 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 3.1 m -77.68 144.55 37.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.096 0.474 . . . . 0.0 111.166 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 m -96.01 101.5 13.18 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.617 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.68 134.56 8.51 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.062 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -82.63 89.73 6.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.178 0.513 . . . . 0.0 109.769 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtm -117.8 -169.49 1.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.895 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.544 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 8.9 m -66.52 160.51 66.44 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.628 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.546 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 11.6 Cg_endo -54.29 -54.1 5.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.995 2.463 . . . . 0.0 112.918 -175.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.15 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.0 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.45 -48.51 64.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.14 92.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -65.42 -43.94 88.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.52 -33.49 71.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.638 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.7 t70 -70.63 -42.29 71.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.33 0.586 . . . . 0.0 109.999 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.57 -44.71 77.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.084 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.28 -47.93 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.164 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -66.56 -45.4 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.896 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -65.83 -41.02 92.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.386 -175.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.45 99.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.54 -33.99 75.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.18 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.34 -28.92 67.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.1 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' HD12 ' A' ' 40' ' ' ILE . 15.3 tppt? -79.96 -25.59 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.815 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.42 39.95 4.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.754 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -87.28 160.56 18.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.615 0.245 . . . . 0.0 110.537 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.524 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 9.4 m-20 -113.92 -24.38 9.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.098 0.475 . . . . 0.0 110.819 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 37' ' ' TYR . 77.8 t -127.17 139.77 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.48 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.699 HG23 HD13 ' A' ' 24' ' ' ILE . 21.2 m -125.26 142.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.9 t -137.97 123.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.616 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.43 93.39 1.95 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -78.78 -26.47 44.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.776 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.581 ' HB2' ' HB ' ' A' ' 84' ' ' THR . 65.8 m -148.56 176.79 10.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.417 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.503 ' O ' ' HG3' ' A' ' 76' ' ' GLN . . . 156.34 -120.87 1.03 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -174.76 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' GLY . 26.5 mt-30 -161.58 -92.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.691 0.396 . . . . 0.0 110.295 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.1 p -117.4 -83.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 51' ' ' PRO . 33.5 tt0 -164.67 -61.23 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.066 175.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . 0.506 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 8.3 t-20 -58.92 -32.47 69.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.526 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -128.57 128.67 44.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 170.605 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 51' ' ' PRO . 17.1 pt -151.33 128.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.123 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 60.1 t60 -99.95 82.28 2.55 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 161.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.74 138.69 22.62 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.543 -0.837 . . . . 0.0 114.246 -166.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.581 ' HB ' ' HB2' ' A' ' 74' ' ' SER . 2.5 m -123.95 141.88 51.65 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.21 40.81 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.509 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -110.66 116.08 30.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.579 HD12 ' HB2' ' A' ' 67' ' ' ALA . 33.1 pt -108.28 152.84 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 121.626 0.727 . . . . 0.0 112.462 -168.429 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 31.5 m-85 -131.01 153.72 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.772 -175.602 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 57.6 tptt -125.64 138.51 53.91 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.645 -1.162 . . . . 0.0 108.908 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -69.12 156.25 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.305 0.574 . . . . 0.0 111.028 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.52 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 93.5 mttt -93.19 -179.79 5.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.318 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.0 pt? -111.73 14.33 21.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.142 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' OE2' ' HD3' ' A' ' 91' ' ' LYS . 35.5 mt-10 -95.38 17.26 14.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -79.73 110.29 14.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.401 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -63.96 141.64 58.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.084 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.29 161.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.159 0.912 . . . . 0.0 111.559 -178.177 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.15 50.38 15.34 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 -173.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -106.56 -23.11 12.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.133 -178.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.617 -178.676 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -131.32 100.35 5.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.048 0.451 . . . . 0.0 110.364 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -149.33 177.13 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 39.45 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.296 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -109.25 133.34 53.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -94.93 97.51 10.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.84 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.29 140.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.506 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.7 149.75 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.026 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -114.68 107.02 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.283 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.92 -27.14 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.488 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 90.6 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.657 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.62 136.34 47.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.37 151.76 20.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.227 0.537 . . . . 0.0 111.44 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -123.39 139.4 54.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.136 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.08 132.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 111.408 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.72 120.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -132.46 138.8 47.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.137 0.494 . . . . 0.0 110.941 -173.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -129.06 85.37 2.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.903 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.37 26.29 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.406 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -125.04 108.39 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.226 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.6 -53.04 8.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.728 ' H ' ' HA ' ' A' ' 68' ' ' ASP . . . 46.66 64.67 1.44 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.167 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -128.44 162.74 26.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.357 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.616 HD13 HG23 ' A' ' 70' ' ' VAL . 24.7 mm -86.22 123.3 39.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -101.91 138.41 38.91 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.921 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -60.15 146.74 42.2 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 82.6 tttt -61.86 -34.89 76.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.806 0.276 . . . . 0.0 111.387 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.624 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 19.3 m -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.039 0.447 . . . . 0.0 110.423 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.66 -31.02 61.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.9 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' HA ' HG22 ' A' ' 33' ' ' VAL . 71.1 t80 -61.69 -44.65 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.964 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.45 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.101 0.477 . . . . 0.0 110.93 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.1 mptt -75.56 -44.12 44.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.5 m -80.33 -7.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -18.16 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.359 0.599 . . . . 0.0 109.869 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -86.64 -27.23 23.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.197 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 94' ' ' HIS . 14.2 mt-10 -106.37 6.22 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.112 -172.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 17.4 m-85 -133.83 172.9 12.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 111.227 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -144.58 134.08 23.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.565 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 87' ' ' ILE . 37.2 ttpt -85.89 121.45 28.55 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.649 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 7.1 pt -90.87 -7.5 10.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.022 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.56 174.42 15.01 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.485 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -105.19 146.53 29.12 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 pt -116.02 163.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 t -152.4 175.54 12.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.769 -175.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.558 HG21 ' HB1' ' A' ' 54' ' ' ALA . 11.2 t -155.48 -179.87 8.51 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.574 HG22 ' HG2' ' A' ' 48' ' ' GLU . 11.4 m -94.19 140.55 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.04 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.673 ' HA2' ' O ' ' A' ' 81' ' ' ILE . . . -73.24 -5.71 67.25 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 114.544 0.577 . . . . 0.0 114.544 -173.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HG2' HG22 ' A' ' 46' ' ' THR . 9.2 pt-20 -96.21 37.78 1.23 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.171 0.51 . . . . 0.0 111.204 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.3 mtt -127.35 163.24 24.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.269 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.6 m -71.84 152.9 93.21 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.732 ' HB3' ' HA ' ' A' ' 78' ' ' GLU . 13.2 Cg_endo -56.0 -55.66 2.75 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.012 2.474 . . . . 0.0 113.072 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 9.2 tt -69.27 -35.3 75.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.37 -48.27 80.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -66.34 -30.97 71.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 19.6 mtm180 -68.84 -48.22 64.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 17.6 mm-40 -62.01 -29.92 70.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 110.296 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 10.1 t70 -65.33 -45.43 84.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.425 0.631 . . . . 0.0 109.634 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.48 -46.74 78.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.72 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -65.03 -40.93 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.734 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.6 pttp -70.83 -33.08 70.3 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.267 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttpt -70.4 -42.11 72.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.0 110.758 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.67 73.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.202 171.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.0 -38.13 72.66 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.369 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 40.4 mt-10 -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.153 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 54.5 tttp -84.03 -29.2 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.085 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 96.64 43.01 3.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.365 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -82.63 159.87 22.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 111.271 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.728 ' HA ' ' H ' ' A' ' 22' ' ' ALA . 18.1 m-20 -111.23 -29.03 8.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 96.6 t -126.56 141.1 46.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 87' ' ' ILE . 16.0 m -124.68 142.38 41.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.76 102.09 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 85' ' ' ALA . 97.2 mt -77.84 90.29 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.205 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.29 -15.29 57.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.222 0.534 . . . . 0.0 111.071 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.6 m -144.53 178.61 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 -18.1 30.55 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.553 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -94.66 32.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.279 0.539 . . . . 0.0 112.017 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.664 ' HB ' HG22 ' A' ' 81' ' ' ILE . 7.1 m -91.43 -20.42 21.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.211 0.529 . . . . 0.0 110.031 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.732 ' HA ' ' HB3' ' A' ' 51' ' ' PRO . 39.3 tt0 73.56 -66.73 0.29 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.999 173.494 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -54.75 -64.3 0.88 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 110.55 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -138.84 146.58 41.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 166.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.673 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 23.4 pt -143.21 124.49 11.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-O 121.181 0.515 . . . . 0.0 112.161 -171.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -85.74 72.24 10.58 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 166.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.36 134.41 50.91 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.823 -1.08 . . . . 0.0 113.073 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.48 139.24 33.27 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -149.03 134.76 18.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.379 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.15 118.08 36.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.035 0.445 . . . . 0.0 109.813 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.697 HG22 HG12 ' A' ' 70' ' ' VAL . 29.7 pt -105.76 152.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 0.0 111.568 -173.174 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 58.1 m-85 -130.87 148.73 52.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.197 -176.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 50.7 tptt -120.05 141.69 49.52 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.977 -173.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -69.23 137.35 53.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.33 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -175.16 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.298 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -11.11 59.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.067 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -113.83 87.08 2.54 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.307 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 35.9 t60 -148.41 97.68 2.79 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 170.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -64.86 -28.12 69.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.811 0.694 . . . . 0.0 111.567 -166.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.609 ' CE1' ' HA ' ' A' ' 99' ' ' HIS . 6.9 t-160 61.73 83.54 0.15 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.592 168.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -86.15 -29.9 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.174 0.511 . . . . 0.0 110.394 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -117.62 128.12 54.62 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' HIS . . . . . 0.609 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 24.4 p80 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.056 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.808 0.337 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -117.54 106.88 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.017 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 t -156.59 95.72 1.58 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.312 0.577 . . . . 0.0 110.243 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.4 111.12 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.573 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -146.04 146.13 30.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -169.61 111.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.242 0.544 . . . . 0.0 111.228 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.47 124.04 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.755 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mtp -130.14 119.96 23.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -136.55 115.26 12.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.26 99.49 0.17 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.93 -176.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.58 133.2 16.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.7 pt? -129.1 124.45 34.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.124 0.488 . . . . 0.0 111.171 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.43 99.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -146.95 117.97 7.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -130.65 120.04 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 0.0 111.042 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.37 96.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.004 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -150.72 98.03 2.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.17 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.12 129.83 55.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.336 0.588 . . . . 0.0 110.489 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -167.84 132.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.678 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.427 ' CD1' ' HA2' ' A' ' 66' ' ' GLY . 29.9 m-85 -107.81 112.94 25.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.61 34.64 3.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.429 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.92 0.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.602 0.564 . . . . 0.0 111.577 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -143.88 167.12 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.685 HD13 HG23 ' A' ' 70' ' ' VAL . 21.8 mm -88.6 132.24 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.443 ' HG2' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -105.51 153.47 21.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.352 175.408 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -72.62 159.71 33.43 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.583 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.78 -55.03 25.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 13.6 t -74.48 -35.83 63.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.868 -176.4 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.29 -38.68 85.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HA ' HG22 ' A' ' 33' ' ' VAL . 41.8 t80 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.83 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -32.59 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.5 mptt -74.62 -44.64 49.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.036 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.1 m -77.07 -19.17 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.949 -177.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.82 57.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.998 0.428 . . . . 0.0 110.891 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 t -83.67 -17.09 42.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.823 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.86 9.9 17.64 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.887 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE2' HG23 ' A' ' 69' ' ' VAL . 10.3 m-85 -127.88 178.34 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.18 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -137.25 141.49 42.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -85.51 122.4 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.002 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.633 HD13 ' HG2' ' A' ' 89' ' ' LYS . 24.0 pt -108.86 2.72 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.653 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.77 170.14 13.11 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.353 -0.927 . . . . 0.0 112.449 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -105.7 155.01 19.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.801 0.334 . . . . 0.0 110.16 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 85' ' ' ALA . 8.9 pt -119.28 163.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -148.46 165.39 31.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 111.312 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.577 HG23 HD21 ' A' ' 58' ' ' LEU . 1.6 p -146.09 121.08 10.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.241 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -156.24 119.36 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.93 -116.35 0.6 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -155.78 90.36 1.22 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.487 0.661 . . . . 0.0 110.93 175.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 49' ' ' MET . 1.4 mmt -143.56 -172.12 3.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.677 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.562 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 48.8 m -90.23 144.36 30.97 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 172.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 -41.11 71.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.177 2.585 . . . . 0.0 113.197 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.56 -35.05 76.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.339 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 50' ' ' SER . 70.9 m-20 -62.61 -45.79 91.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 109.77 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.571 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -60.08 -45.14 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.81 -48.91 77.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.02 -41.59 75.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.606 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.609 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.0 t70 -69.82 -37.17 76.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 45' ' ' THR . 57.8 mt -67.11 -48.8 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.228 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.89 -42.03 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.15 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 52.5 pttt -69.55 -39.43 77.43 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -70.86 -39.57 72.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.412 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.63 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.855 0.36 . . . . 0.0 110.347 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.72 -33.24 72.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.66 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 32.6 mt-10 -69.64 -37.88 76.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.101 175.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -68.46 -32.52 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 20' ' ' TYR . . . 117.38 6.86 12.89 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.275 173.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . . . -58.78 153.75 16.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -110.76 -27.23 8.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.008 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 86.3 t -125.94 138.27 55.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.685 HG23 HD13 ' A' ' 24' ' ' ILE . 25.9 m -123.97 142.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.96 175.817 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.24 104.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.098 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.46 88.02 5.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.029 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 p -75.08 -39.0 61.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.663 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.8 m 59.27 -172.15 0.11 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.676 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.91 -141.85 4.95 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -125.35 46.04 2.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.233 0.54 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 91.5 m -154.75 102.6 2.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.2 -21.87 20.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 173.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -53.23 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.072 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -118.61 10.72 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.438 0.637 . . . . 0.0 110.201 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HB2' ' A' ' 54' ' ' ALA . 16.2 mt 69.57 152.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.508 -1.224 . . . . 0.0 112.127 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -175.9 45.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.99 146.33 16.06 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.761 -172.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.2 p -116.52 153.26 32.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.024 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -136.85 132.39 34.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.64 126.48 53.01 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.661 HG22 HG12 ' A' ' 70' ' ' VAL . 22.1 pt -115.71 153.91 17.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.662 0.744 . . . . 0.0 112.447 -170.218 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 32.8 m-85 -133.23 155.14 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.816 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 40' ' ' ILE . 22.6 mmmt -111.86 153.56 26.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.425 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.13 159.07 24.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -105.23 -177.04 3.25 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.083 -176.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -100.2 -5.38 27.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.499 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -81.06 13.64 2.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.114 0.483 . . . . 0.0 111.308 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -89.29 147.95 23.83 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.6 -58.58 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.221 -175.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -172.78 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.822 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 23.4 m170 68.7 152.47 0.09 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.6 0.714 . . . . 0.0 111.649 -175.457 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -151.48 132.48 14.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.655 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.1 178.725 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -147.03 101.04 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.721 179.119 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.71 103.59 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.753 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.85 123.53 1.26 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.135 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -122.31 136.31 54.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -119.16 144.64 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.513 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -144.7 119.08 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -137.26 111.61 8.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.022 0.439 . . . . 0.0 111.271 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -119.04 155.05 32.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.864 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.53 58.65 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.151 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.2 82.68 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 172.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.808 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.8 pt? -95.37 114.79 26.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.156 -174.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.67 86.57 2.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.01 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.61 ' HE1' HD12 ' A' ' 12' ' ' LEU . 45.8 p90 -129.21 5.76 5.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG23 HG23 ' A' ' 16' ' ' VAL . 20.0 m -79.87 -177.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.438 HG23 HG23 ' A' ' 15' ' ' VAL . 33.3 t 66.03 79.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.579 0.704 . . . . 0.0 109.84 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.657 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 9.0 t -127.57 -0.92 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.876 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -91.63 -20.68 21.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.596 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.2 m -78.28 97.79 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' HE1' ' HA ' ' A' ' 98' ' ' HIS . 44.6 t80 -111.95 -72.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.897 -174.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.82 -165.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.43 -173.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.681 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -73.6 131.95 42.25 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.84 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.22 167.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.191 0.52 . . . . 0.0 111.495 -175.476 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 70' ' ' VAL . 18.3 mm -84.36 147.24 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.9 mmt -121.48 143.27 49.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.368 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -71.69 161.99 30.14 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 12.4 mptt -63.69 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.563 -173.727 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.613 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 8.9 t -71.73 -43.07 66.48 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.469 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.62 -39.55 67.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.386 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HA ' HG22 ' A' ' 33' ' ' VAL . 67.9 t80 -57.74 -48.27 80.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.454 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.96 -33.01 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.174 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.3 mptt -74.46 -42.41 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 30' ' ' PHE . 29.0 m -79.59 -20.55 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.796 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -21.04 63.19 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -62.73 -42.92 99.9 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.89 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -122.84 32.75 5.62 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.407 0.622 . . . . 0.0 111.661 -175.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.423 ' HD2' ' HB3' ' A' ' 88' ' ' TYR . 2.2 m-85 -113.78 179.93 3.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -128.27 144.76 51.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 110.732 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -94.43 122.72 37.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.627 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.525 HG13 HG13 ' A' ' 87' ' ' ILE . 15.0 pt -116.61 7.87 7.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.01 0.433 . . . . 0.0 111.527 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.26 171.6 19.3 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.507 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.4 m -105.72 153.99 21.09 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.22 164.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 84' ' ' THR . 19.0 t -159.18 -179.58 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.981 0.42 . . . . 0.0 110.887 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -153.82 157.77 39.85 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -155.51 130.84 9.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.113 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.501 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . 141.64 -111.66 0.71 Allowed Glycine 0 N--CA 1.441 -1.005 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.894 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.72 99.2 3.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.758 0.789 . . . . 0.0 110.455 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.3 mmm -138.86 162.23 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.358 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.4 m -89.77 148.53 40.12 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -59.74 -41.07 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.127 1.885 . . . . 0.0 113.626 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.95 -37.5 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.175 0.512 . . . . 0.0 110.113 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.9 -36.17 83.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.352 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.57 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -59.44 -51.1 71.32 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 59' ' ' ILE . 39.9 mt-10 -67.29 -26.56 66.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.122 -177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 13.4 t70 -65.75 -48.25 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.9 -44.23 96.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.183 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 56' ' ' GLU . 50.8 mt -61.45 -48.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.14 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.58 -43.19 97.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -63.07 -41.46 99.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.171 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.3 92.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.393 . . . . 0.0 110.869 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.62 -32.77 74.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.353 0.597 . . . . 0.0 110.612 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -78.2 -20.81 51.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.695 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -92.81 -28.04 16.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.08 50.87 0.86 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.185 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -95.19 168.85 10.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.14 0.495 . . . . 0.0 111.489 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.681 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 17.2 t70 -126.36 -39.37 2.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.476 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -125.44 137.54 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.321 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.738 HG12 HG22 ' A' ' 87' ' ' ILE . 17.6 m -119.74 143.39 31.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.194 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.29 115.28 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.037 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.72 83.45 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -73.9 -42.89 60.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p 54.57 -166.75 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 113.158 174.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.76 139.16 7.8 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.94 72.67 3.52 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.883 0.849 . . . . 0.0 111.14 -174.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 m -150.49 90.89 1.69 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.101 171.549 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.12 -21.36 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.031 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.99 -66.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.313 0.577 . . . . 0.0 109.829 174.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 17.5 pttp -131.01 113.29 13.79 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 83' ' ' GLY . 1.6 mt -75.26 146.68 9.04 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.117 -165.664 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -143.8 25.5 1.62 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.125 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.482 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -74.24 160.99 53.57 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.924 -1.034 . . . . 0.0 113.469 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 44' ' ' SER . 23.8 p -123.13 155.32 37.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.52 133.44 45.08 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.91 127.06 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.738 HG22 HG12 ' A' ' 70' ' ' VAL . 17.5 pt -116.27 152.8 17.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.613 0.72 . . . . 0.0 112.502 -171.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HB3' ' HD2' ' A' ' 37' ' ' TYR . 32.2 m-85 -130.75 153.72 48.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.936 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -118.57 130.93 56.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -69.9 134.81 48.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.324 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.657 ' HB2' ' HG2' ' A' ' 93' ' ' GLU . 7.0 mtpm? -84.68 -169.05 2.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.281 0.562 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.1 pt? -111.8 25.82 11.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.655 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.657 ' HG2' ' HB2' ' A' ' 91' ' ' LYS . 19.2 mm-40 -68.42 -162.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.471 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -84.06 123.26 29.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.081 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -178.55 157.04 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.323 0.389 . . . . 0.0 110.775 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' HIS . . . . . 0.657 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 5.5 t60 -93.24 102.33 14.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -97.9 16.59 20.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.274 0.559 . . . . 0.0 111.739 -171.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' HIS . . . . . 0.48 ' HA ' ' HE1' ' A' ' 20' ' ' TYR . 17.7 m80 -140.9 -160.61 1.09 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.099 -0.375 . . . . 0.0 110.326 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 13.0 p80 . . . . . 0 C--O 1.243 0.741 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.363 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.382 0.134 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.05 99.33 3.3 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 172.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 -176.7 4.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.22 -169.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.02 55.1 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -129.93 89.08 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 0.0 110.043 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 6' ' ' LYS . 37.7 ttpt -155.75 104.44 2.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.964 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.47 114.75 44.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.353 0.597 . . . . 0.0 110.895 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.8 mtt -107.84 103.28 12.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.424 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -149.74 157.53 43.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.961 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 36.35 3.55 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.735 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.38 79.93 9.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.987 0.422 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -168.03 120.93 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.591 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.58 171.84 15.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.591 0.234 . . . . 0.0 111.016 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.95 157.76 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.007 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -127.64 113.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.564 0.697 . . . . 0.0 110.614 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 m -83.07 129.31 37.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.097 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 p -99.26 -176.94 3.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.628 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -148.71 171.98 15.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -69.18 143.01 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.695 0.284 . . . . 0.0 110.581 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -109.93 161.27 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.55 115.41 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.244 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 99.59 5.14 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.409 0.443 . . . . 0.0 110.84 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -109.32 153.34 24.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.345 -174.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.533 HD13 HG23 ' A' ' 70' ' ' VAL . 12.7 mm -94.56 134.0 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.6 173.013 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.81 159.32 24.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 94.2 mttt -76.58 140.79 41.19 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.85 -33.15 66.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -50.1 54.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.573 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.5 p-10 -77.49 -31.97 53.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.196 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' HZ ' ' CE1' ' A' ' 88' ' ' TYR . 48.0 t80 -59.05 -44.75 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.245 177.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.59 -33.87 76.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.047 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.0 -37.67 54.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.028 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.6 m -88.06 -10.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . . . -64.08 -21.5 66.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.434 0.635 . . . . 0.0 109.625 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -57.03 -28.46 62.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.052 173.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 12.6 mt-10 -105.42 19.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.04 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' HG23 ' A' ' 33' ' ' VAL . 21.7 m-30 -124.99 167.08 15.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.794 -178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.9 m -144.2 116.38 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.828 0.347 . . . . 0.0 110.291 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.05 137.6 56.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 pt -106.36 -23.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.12 172.34 25.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.973 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -105.85 153.32 22.1 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -117.95 164.42 14.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 8.8 t -148.58 165.37 31.46 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.687 -173.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.543 HG23 HD21 ' A' ' 58' ' ' LEU . 1.2 p -140.71 114.87 9.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.235 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 m -150.95 119.18 6.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -179.55 -111.21 0.3 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.732 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 6.7 pt-20 -164.94 58.31 0.13 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.034 0.921 . . . . 0.0 110.051 174.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 78.7 mmm -111.41 -166.95 1.12 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.313 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 p -99.77 143.0 25.64 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 174.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 52' ' ' LEU . 17.2 Cg_endo -58.65 -53.12 4.24 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.046 2.497 . . . . 0.0 113.903 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.676 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.5 mp -63.12 -39.98 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.975 -175.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -46.75 76.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 81' ' ' ILE . . . -72.3 -26.57 62.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.676 HH21 ' HG ' ' A' ' 52' ' ' LEU . 15.8 mtm180 -67.6 -38.91 84.65 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.185 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.4 mt-10 -60.46 -36.87 79.29 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.339 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 14.2 t70 -64.63 -41.9 95.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.543 HD21 HG23 ' A' ' 45' ' ' THR . 77.4 mt -61.53 -47.94 83.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.612 174.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 56' ' ' GLU . 39.0 mt -59.74 -42.3 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.434 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.93 -48.61 65.46 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.705 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 8.9 ttpt -59.91 -41.98 92.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.53 -176.384 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.39 91.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.904 0.383 . . . . 0.0 111.19 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.24 -40.43 81.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.233 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.1 -33.94 77.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.867 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -36.82 74.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.59 16.56 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.381 174.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.511 ' HA ' ' CD ' ' A' ' 89' ' ' LYS . . . -63.69 143.11 58.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.201 0.5 . . . . 0.0 111.242 -177.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.37 -35.09 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.334 0.588 . . . . 0.0 110.62 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.492 HG21 ' CE2' ' A' ' 37' ' ' TYR . 58.9 t -124.68 135.92 62.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.802 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.575 HG12 HG22 ' A' ' 87' ' ' ILE . 23.9 m -126.03 143.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.609 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.09 108.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -84.39 98.41 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.14 -6.94 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 174.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.687 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 21.4 p -53.97 103.68 0.09 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.524 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.85 -143.35 3.67 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 68.08 -61.15 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.118 0.967 . . . . 0.0 112.109 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.63 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 19.6 m -125.89 91.75 3.45 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -172.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.35 -23.43 40.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.785 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -55.55 -70.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 48' ' ' GLU . 18.7 pttm -106.24 6.18 30.5 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.235 0.54 . . . . 0.0 110.05 177.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.63 ' HA ' ' O ' ' A' ' 77' ' ' THR . 10.1 mt 69.62 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.82 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . 0.404 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 23.9 t-80 -161.84 23.42 0.12 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.641 -176.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.687 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -101.7 163.91 17.52 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.632 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.581 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 36.5 p -121.24 -176.94 3.4 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -153.41 132.72 12.76 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.18 120.39 42.38 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -174.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.575 HG22 HG12 ' A' ' 70' ' ' VAL . 26.1 pt -115.98 152.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.116 -171.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.532 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 62.8 m-85 -138.0 148.82 45.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.527 -174.108 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.511 ' CD ' ' HA ' ' A' ' 67' ' ' ALA . 28.0 mmmt -105.65 169.66 8.35 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -83.8 150.12 25.98 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.228 0.537 . . . . 0.0 110.903 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 41.5 mttp -75.51 -174.73 2.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.405 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 1.4 pp -92.22 25.1 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.522 0.677 . . . . 0.0 109.309 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -43.28 98.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.274 -179.033 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 6.7 p-80 -84.93 151.37 24.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.541 175.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m170 56.62 84.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.518 0.512 . . . . 0.0 110.031 -173.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -60.95 101.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.43 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -92.48 21.09 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.693 0.758 . . . . 0.0 109.72 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -140.2 127.26 20.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.597 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.4 m80 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.025 -179.416 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.863 0.363 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.95 99.02 8.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.232 0.539 . . . . 0.0 111.441 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 m -131.99 114.72 14.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.24 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.01 145.82 14.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.525 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -89.99 92.09 8.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.79 -27.21 44.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.789 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -122.26 79.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.81 0.814 . . . . 0.0 110.244 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.3 ttp -106.38 -9.41 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.101 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.49 129.78 47.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.761 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.77 122.32 1.36 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.304 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.49 129.81 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.613 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -125.19 31.65 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 0.0 110.259 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.34 111.09 20.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.563 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -76.4 90.12 3.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.291 0.567 . . . . 0.0 110.311 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -106.58 97.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.517 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.96 -76.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.956 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m 55.04 50.7 14.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.764 0.792 . . . . 0.0 110.362 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -103.02 -34.33 8.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.738 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 m -74.54 86.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -80.51 -37.12 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.06 -166.04 2.43 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.03 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -50.54 110.43 0.41 Allowed 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.793 0.683 . . . . 0.0 112.203 -178.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.73 153.69 39.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.261 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.697 HD13 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -87.65 138.0 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.911 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.0 mmt -125.03 160.54 28.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -74.73 160.66 30.47 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.058 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -57.14 -53.1 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -69.78 -37.51 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 111.158 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.09 -37.89 72.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' HA ' HG22 ' A' ' 33' ' ' VAL . 60.2 t80 -61.41 -41.94 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.597 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.93 -31.79 72.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 110.635 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.64 -41.26 46.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.861 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.8 m -79.01 -25.07 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.391 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.58 62.09 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.949 0.404 . . . . 0.0 111.426 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -63.65 -33.13 74.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' CD ' ' HD1' ' A' ' 95' ' ' HIS . 14.6 mt-10 -107.66 28.62 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.713 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 11.0 m-85 -135.31 169.99 16.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.19 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -129.17 150.35 50.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -103.64 111.72 24.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.525 0.679 . . . . 0.0 110.326 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.559 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 5.9 pt -82.4 -7.73 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.188 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.96 169.46 12.52 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.032 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -94.69 151.19 19.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.064 0.459 . . . . 0.0 109.943 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.541 HG13 HD22 ' A' ' 58' ' ' LEU . 16.1 pt -121.28 164.19 18.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.905 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t -150.37 166.98 28.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.031 -176.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -125.9 109.57 12.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.218 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -105.73 116.33 31.75 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.42 0.628 . . . . 0.0 110.759 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.84 -126.38 1.54 Allowed Glycine 0 N--CA 1.436 -1.355 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.49 95.79 0.93 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.542 0.686 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.3 mmt -136.02 178.06 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.696 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -79.4 151.64 75.13 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 4.6 Cg_endo -50.09 -42.89 44.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.913 2.408 . . . . 0.0 113.566 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.68 -42.25 82.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.26 -37.98 84.37 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.047 0.451 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.56 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.15 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' HD2' HD13 ' A' ' 72' ' ' LEU . 35.9 mtm180 -65.25 -45.88 82.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.125 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 59' ' ' ILE . 33.0 mt-10 -64.88 -33.27 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.273 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 8.4 t70 -70.19 -31.76 69.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.308 0.575 . . . . 0.0 109.959 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LEU . . . . . 0.541 HD22 HG13 ' A' ' 43' ' ' ILE . 81.3 mt -72.52 -41.9 65.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.277 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 56' ' ' GLU . 48.8 mt -59.91 -41.57 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 33.9 mtpt -56.11 -49.15 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.726 174.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -69.34 -38.76 78.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.351 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.53 89.52 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.216 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.24 -38.67 85.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.079 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.28 -30.59 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.734 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.559 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 33.0 tttp -99.45 -5.71 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.11 42.94 41.86 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.088 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -75.12 148.07 40.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.7 t70 -103.07 -34.23 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.487 0.66 . . . . 0.0 110.051 -176.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' CE2' ' A' ' 37' ' ' TYR . 56.3 t -125.16 139.2 51.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.401 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 24' ' ' ILE . 24.1 m -129.65 144.09 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.9 t -123.1 112.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 55' ' ' ARG . 96.5 mt -86.88 87.14 7.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.43 0.633 . . . . 0.0 110.873 -176.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -79.0 -11.36 60.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.973 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 p -51.01 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.07 69.84 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.527 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -61.71 -40.23 94.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.1 m -151.06 -92.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.768 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -153.38 -56.74 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.809 0.338 . . . . 0.0 110.146 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.05 -49.83 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -81.24 45.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.615 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 pt -98.62 149.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.9 0.857 . . . . 0.0 113.178 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -133.07 85.09 2.19 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 164.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.62 134.53 51.42 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-N 115.209 -0.905 . . . . 0.0 114.108 -166.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.8 p -133.27 146.92 51.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.016 -0.592 . . . . 0.0 109.883 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.198 -0.314 . . . . 0.0 110.377 178.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.52 112.52 25.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.648 HG22 HG12 ' A' ' 70' ' ' VAL . 26.2 pt -116.39 152.41 18.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 121.578 0.704 . . . . 0.0 112.4 -170.644 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.45 ' HD2' ' HB3' ' A' ' 37' ' ' TYR . 5.3 m-85 -130.93 151.59 51.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.24 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -120.88 147.44 45.41 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.53 -1.213 . . . . 0.0 108.317 -171.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -64.8 149.15 49.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.286 0.565 . . . . 0.0 111.083 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 88.4 mttt -90.73 178.85 5.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.254 176.166 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -94.54 13.2 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.583 0.706 . . . . 0.0 109.964 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 137.5 42.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.007 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -100.96 70.15 1.35 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.976 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . 0.437 ' HD1' ' CD ' ' A' ' 36' ' ' GLU . 3.9 t-160 -83.26 -65.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.966 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -131.24 91.61 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.862 0.363 . . . . 0.0 110.665 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -116.31 124.42 50.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -87.15 127.26 35.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.154 -0.926 . . . . 0.0 109.565 -178.19 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttm . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.0 0.429 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -131.86 120.13 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.227 -177.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -157.37 156.09 31.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.242 -177.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.73 47.44 0.11 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.77 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -89.98 99.85 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 6' ' ' LYS . 13.8 ptpt -144.1 26.22 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -175.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.8 116.27 23.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.835 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -149.29 114.87 5.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.775 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -167.62 -179.24 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.022 -174.156 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 113.67 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.267 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.92 21.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.707 0.254 . . . . 0.0 111.659 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.23 110.66 19.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.94 113.82 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.209 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -139.2 116.82 11.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.044 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.59 154.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.752 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.55 89.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -153.22 94.12 1.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.492 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.28 126.75 52.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 110.827 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.8 t -125.68 119.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.385 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -112.88 39.66 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.525 0.678 . . . . 0.0 109.369 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.94 109.3 7.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.304 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -67.8 119.47 12.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.35 155.75 29.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 HG23 ' A' ' 70' ' ' VAL . 32.6 mm -95.34 127.44 47.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.496 ' SD ' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -110.52 149.73 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.939 0.399 . . . . 0.0 111.3 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 42.3 mtmt -63.86 155.22 31.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.79 -50.08 74.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.49 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.0 m -69.09 -41.56 77.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.476 0.655 . . . . 0.0 110.606 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' HE3' ' A' ' 26' ' ' LYS . 22.9 t70 -66.0 -41.71 90.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.583 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' HA ' HG22 ' A' ' 33' ' ' VAL . 54.2 t80 -61.36 -46.43 90.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.26 68.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.184 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 28' ' ' THR . 11.1 mptt -73.97 -45.02 52.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.018 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.8 m -77.55 -16.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.045 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.45 -20.81 63.54 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.181 0.515 . . . . 0.0 110.492 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -72.11 -31.56 66.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.533 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 12.3 mt-10 -105.39 18.37 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.521 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.51 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 7.7 m-85 -131.39 165.19 24.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.269 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.6 m -126.7 125.19 41.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HZ3' ' CG ' ' A' ' 86' ' ' ASP . 63.4 tttp -75.11 109.22 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.317 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -80.73 -11.82 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.11 178.62 20.83 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.779 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -106.59 154.15 21.31 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 19.5 pt -120.61 163.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -153.19 172.82 16.37 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.57 HG21 ' HB1' ' A' ' 54' ' ' ALA . 73.7 p -117.63 115.91 26.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.022 0.439 . . . . 0.0 111.885 -178.287 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 m -119.03 111.23 18.05 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.28 -14.63 0.26 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.362 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 58.83 77.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.338 0.59 . . . . 0.0 111.335 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.13 176.75 4.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -64.46 143.15 98.52 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.81 -46.47 27.37 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.278 2.652 . . . . 0.0 113.836 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 95.1 mt -71.02 -39.31 72.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.3 . . . . 0.0 110.68 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.88 -41.28 78.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.551 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.69 -33.93 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.008 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.85 -44.45 66.39 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.132 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.599 ' HA ' HD12 ' A' ' 59' ' ' ILE . 26.3 mm-40 -58.73 -37.64 76.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.999 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.629 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 26.6 t70 -72.21 -34.75 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.563 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.67 -41.28 99.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.189 0.518 . . . . 0.0 109.878 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 56' ' ' GLU . 20.5 mt -66.1 -40.43 87.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.069 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 30.0 mtpt -59.07 -57.93 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.763 174.362 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.1 -36.78 84.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.921 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.66 -43.85 97.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.935 0.398 . . . . 0.0 110.822 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -42.84 99.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.706 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.65 -34.07 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.512 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.92 44.68 3.54 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.871 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.26 143.95 25.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.92 -42.2 10.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.496 HG22 ' SD ' ' A' ' 25' ' ' MET . 98.4 t -125.54 139.48 51.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.831 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.609 HG12 HG22 ' A' ' 87' ' ' ILE . 31.2 m -125.83 143.27 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.77 122.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.442 . . . . 0.0 110.232 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.52 89.73 7.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -71.6 -47.66 53.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.813 174.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' A' ' 84' ' ' THR . 29.9 m 55.31 -159.35 0.2 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.628 170.284 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.94 119.38 3.29 Favored Glycine 0 N--CA 1.432 -1.615 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -59.34 -23.66 62.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.253 0.549 . . . . 0.0 110.804 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.7 p -84.91 69.79 10.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.294 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.704 ' HA ' HG23 ' A' ' 81' ' ' ILE . 31.3 tt0 -45.4 -41.36 9.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.623 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.25 -26.12 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -137.88 40.78 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.934 0.397 . . . . 0.0 110.999 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.704 HG23 ' HA ' ' A' ' 78' ' ' GLU . 12.4 pt -60.78 127.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -86.64 -9.22 56.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.225 167.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.534 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . 66.22 135.44 0.03 OUTLIER Glycine 0 C--O 1.226 -0.388 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.165 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.544 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -154.25 151.54 29.27 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 122.555 -0.379 . . . . 0.0 110.723 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 141.81 17.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 171.167 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.55 ' CG ' ' HZ3' ' A' ' 39' ' ' LYS . 1.8 t70 -114.29 120.04 39.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.609 HG22 HG12 ' A' ' 70' ' ' VAL . 24.5 pt -118.12 153.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.8 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 37' ' ' TYR . 19.5 m-85 -135.42 149.97 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.2 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -111.26 146.58 36.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.25 133.73 50.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.773 0.321 . . . . 0.0 110.868 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.9 mttt -77.74 -174.4 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.821 0.819 . . . . 0.0 111.622 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 3.1 pp -85.7 -8.76 57.99 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.216 167.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.0 mt-10 -85.25 3.27 40.25 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.841 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 45.4 t60 -136.37 121.34 18.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.623 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -113.35 154.39 26.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -177.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 76.7 t60 69.7 125.75 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 169.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -129.16 129.59 45.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 167.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -77.39 129.55 35.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.682 0.277 . . . . 0.0 110.882 -174.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.482 -0.77 . . . . 0.0 109.711 173.302 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.088 0.471 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -119.44 97.49 5.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.188 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -74.01 -25.56 59.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.515 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.23 135.88 2.56 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.658 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -103.31 113.35 26.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -75.74 112.1 11.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.141 0.496 . . . . 0.0 111.499 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.7 m -128.95 140.91 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.989 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.3 mtm -95.82 19.46 11.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 0.0 110.591 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -100.61 107.4 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.205 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.27 54.57 0.25 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.674 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.96 128.78 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.632 0.253 . . . . 0.0 110.732 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' HB2' ' HE1' ' A' ' 14' ' ' PHE . 6.8 mp -87.23 -16.44 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.145 0.498 . . . . 0.0 109.81 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.16 83.87 0.15 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.484 175.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' HE1' ' HB2' ' A' ' 12' ' ' LEU . 10.1 p90 -155.57 -164.28 1.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.591 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.06 106.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.279 0.561 . . . . 0.0 111.688 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.1 m -87.52 160.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.413 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -109.26 13.94 24.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -73.93 101.09 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.351 -173.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.38 138.9 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -156.93 -79.86 0.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.608 0.242 . . . . 0.0 110.79 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.44 162.24 1.13 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -54.01 103.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.81 0.694 . . . . 0.0 112.106 -176.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -141.37 167.11 22.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.78 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.689 HD13 HG23 ' A' ' 70' ' ' VAL . 31.4 mm -77.89 142.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.69 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -120.9 159.66 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.83 154.27 42.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.415 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -67.64 -35.28 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.199 0.523 . . . . 0.0 110.996 -174.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 p -70.65 -46.02 64.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.025 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -66.76 -30.67 70.94 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.084 175.959 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' HG22 ' A' ' 33' ' ' VAL . 65.9 t80 -57.6 -44.3 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.8 -31.13 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 110.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -83.73 -33.24 25.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.618 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 26.4 m -82.67 -10.88 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 122.372 -0.205 . . . . 0.0 110.528 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -14.38 17.77 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 121.368 0.604 . . . . 0.0 110.294 172.09 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -90.15 -32.02 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.924 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.25 -4.07 27.81 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 15.6 m-85 -120.11 176.97 5.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.153 0.502 . . . . 0.0 111.484 -174.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.4 m -141.81 162.09 36.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.338 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -108.78 109.81 21.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 pt -85.01 -3.21 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.459 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.07 169.6 11.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.951 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -106.45 150.67 25.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.444 HG13 ' HB3' ' A' ' 85' ' ' ALA . 24.0 pt -121.95 165.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.585 ' HB3' HG22 ' A' ' 84' ' ' THR . 1.4 p -147.31 172.16 14.31 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.804 0.335 . . . . 0.0 111.533 -177.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -96.55 129.68 43.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -145.5 135.31 23.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.372 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.68 -13.3 17.85 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.838 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.38 79.56 0.19 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.314 0.646 . . . . 0.0 111.966 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.8 mmt -102.4 -164.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.532 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -83.39 150.35 60.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.86 -52.59 7.92 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.491 2.794 . . . . 0.0 113.985 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.29 -26.52 58.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.63 0.252 . . . . 0.0 111.232 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.06 -34.15 57.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.297 0.57 . . . . 0.0 110.057 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.2 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.916 175.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -63.11 -42.71 99.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.932 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 19.3 mm-40 -54.4 -42.66 70.7 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.662 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.4 t70 -63.27 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.429 . . . . 0.0 109.98 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.9 mt -66.32 -47.15 74.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.212 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.55 -43.84 96.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 33.5 mmtp -73.3 -40.25 64.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.848 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.691 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.5 ttpt -61.64 -39.23 90.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.2 85.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.67 -36.92 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.973 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 57.2 mm-40 -56.16 -40.77 74.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.667 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -87.47 -25.65 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.349 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.78 86.37 1.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.604 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.33 160.45 28.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -104.38 -36.03 7.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.493 0.663 . . . . 0.0 110.264 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.55 142.07 43.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.825 HG12 HG22 ' A' ' 87' ' ' ILE . 27.8 m -124.23 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.82 108.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -74.87 90.43 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.683 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -2.34 46.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.292 178.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.5 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 60.0 m -60.28 104.51 0.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.732 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.96 -77.03 0.66 Allowed Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -80.35 68.02 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.849 0.833 . . . . 0.0 109.999 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.767 ' HA ' HG22 ' A' ' 81' ' ' ILE . 13.3 m -92.81 80.84 4.67 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.434 -177.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.63 -48.82 0.07 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.538 171.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -116.91 -79.89 0.6 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.521 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -81.84 51.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.486 0.66 . . . . 0.0 110.761 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 77' ' ' THR . 28.9 pt -58.35 117.24 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.653 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -152.44 25.91 0.59 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -80.97 -174.01 48.21 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.204 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 44' ' ' SER . 41.1 p -125.08 177.19 6.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.049 0.452 . . . . 0.0 111.032 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' HB3' HG13 ' A' ' 43' ' ' ILE . . . -144.55 132.06 20.95 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 168.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -102.44 117.26 34.34 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.825 HG22 HG12 ' A' ' 70' ' ' VAL . 19.8 pt -107.67 151.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-O 121.224 0.535 . . . . 0.0 110.681 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' TYR . . . . . 0.42 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 93.5 m-85 -136.28 143.23 44.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.29 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -111.2 139.06 46.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.05 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -75.8 141.42 42.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -72.1 -172.4 0.87 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.161 0.505 . . . . 0.0 111.308 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -102.12 -7.61 22.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.459 -169.682 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.05 112.05 4.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -152.77 132.96 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.394 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 3.9 m-70 -121.49 168.25 11.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -102.39 151.51 22.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -131.1 -68.88 0.65 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.572 174.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -142.09 122.64 14.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.141 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.347 178.063 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.306 0 CA-C-O 120.698 0.285 . . . . 0.0 111.026 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -143.89 156.45 44.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.203 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.754 HD13 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -73.33 124.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.071 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.409 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 10.3 tpt -104.98 147.68 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.178 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -56.92 133.26 54.53 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -53.65 -38.56 64.23 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.327 0.392 . . . . 0.0 111.639 -174.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m -65.22 -52.38 55.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.323 . . . . 0.0 111.223 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.63 -39.41 88.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.135 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.409 ' HB2' ' HB3' ' A' ' 25' ' ' MET . 38.8 t80 -52.46 -48.45 65.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.374 0.607 . . . . 0.0 110.482 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -78.7 -31.33 46.51 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.885 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.17 -19.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.012 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.88 -21.87 63.72 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.154 0.502 . . . . 0.0 110.918 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.9 t -65.82 -24.1 66.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.191 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -119.94 32.09 6.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.438 0.637 . . . . 0.0 110.039 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.53 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.9 m-85 -135.08 161.51 35.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.463 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -121.0 152.66 38.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.945 -171.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -97.86 119.9 37.29 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.093 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 pt -101.14 -4.09 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.77 165.65 11.43 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.276 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -105.61 146.82 29.18 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.407 HD13 ' HB2' ' A' ' 62' ' ' ALA . 22.0 pt -112.63 164.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.638 ' HB3' HG22 ' A' ' 84' ' ' THR . 4.1 p -151.12 172.89 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 112.406 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.59 HG21 ' HB1' ' A' ' 54' ' ' ALA . 47.9 p -123.58 135.28 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.354 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -128.25 149.62 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.111 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.37 -103.83 3.04 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.381 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.7 128.19 3.29 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.353 -0.923 . . . . 0.0 109.659 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.566 ' HB2' HD11 ' A' ' 81' ' ' ILE . 84.4 mmm -141.87 169.66 17.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -86.73 143.32 35.48 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.683 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 12.1 Cg_endo -56.81 -55.93 2.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.288 1.992 . . . . 0.0 112.75 -172.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.81 -32.4 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.74 0.305 . . . . 0.0 111.064 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 50' ' ' SER . 38.4 t70 -68.38 -39.7 81.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.022 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.59 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -69.07 -37.74 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.682 176.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.683 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 38.0 mtt180 -57.26 -57.62 11.81 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.2 mt-10 -60.85 -35.89 77.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 -176.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.973 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 29.4 t70 -66.57 -42.81 86.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.165 177.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.485 HD11 HG23 ' A' ' 45' ' ' THR . 24.1 mt -65.53 -46.07 81.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.038 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.41 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.545 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.973 ' HE3' ' HA ' ' A' ' 57' ' ' ASP . 23.2 pttp -68.27 -37.49 80.75 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.947 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.8 ttpt -63.67 -44.53 93.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.853 0.461 . . . . 0.0 111.219 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.513 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -62.64 -45.24 93.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.81 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.226 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.64 -35.93 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.339 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -83.22 4.64 25.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.422 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 80.97 66.31 1.63 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.177 173.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.46 158.41 20.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 110.238 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -40.48 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.506 0.67 . . . . 0.0 109.67 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -126.47 137.76 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.322 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.754 HG23 HD13 ' A' ' 24' ' ' ILE . 27.5 m -127.21 144.17 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.76 127.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.633 0.254 . . . . 0.0 110.503 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.35 88.57 5.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -70.66 -39.16 73.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.466 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.448 ' HB2' ' H ' ' A' ' 84' ' ' THR . 44.1 m -153.85 -176.65 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.486 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . 96.34 4.96 59.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.943 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 29.66 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.14 0.495 . . . . 0.0 110.083 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.502 ' HB ' HG22 ' A' ' 81' ' ' ILE . 11.2 m -76.75 -81.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.536 ' H ' HG23 ' A' ' 81' ' ' ILE . 3.7 tm-20 -176.81 -93.3 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 49' ' ' MET . 2.7 t-20 -102.84 -48.7 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.908 -0.495 . . . . 0.0 111.068 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.78 44.04 0.36 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.295 0.569 . . . . 0.0 111.356 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.0 pt -85.42 117.87 31.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.868 0.842 . . . . 0.0 113.106 -175.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -116.43 59.79 0.74 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.486 ' HA3' ' CA ' ' A' ' 75' ' ' GLY . . . -95.45 174.59 32.31 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.281 -167.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.1 p -137.69 139.79 40.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.123 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.13 54.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.48 ' OD2' ' HE1' ' A' ' 88' ' ' TYR . 33.1 t70 -106.22 122.14 45.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.513 HG21 ' HB1' ' A' ' 62' ' ' ALA . 26.0 pt -116.47 153.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.162 0.506 . . . . 0.0 111.936 -171.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.48 ' HE1' ' OD2' ' A' ' 86' ' ' ASP . 20.3 m-85 -133.72 149.64 51.49 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.563 0.696 . . . . 0.0 111.032 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 66' ' ' GLY . 54.2 tptt -113.56 141.49 47.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.253 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 3.9 ttmp? -67.36 139.63 57.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.677 0.275 . . . . 0.0 110.981 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 98.6 mttt -81.82 179.66 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.167 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HB2' ' OE2' ' A' ' 93' ' ' GLU . 74.3 mt -90.65 -8.95 48.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE2' ' HB2' ' A' ' 92' ' ' LEU . 2.4 mp0 . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.808 178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.234 0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.091 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -128.8 152.44 48.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 HG23 ' A' ' 70' ' ' VAL . 25.7 mm -84.8 129.64 37.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mmt -109.32 152.08 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.15 0.5 . . . . 0.0 111.576 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -72.72 170.21 15.04 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.718 172.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -67.49 -41.36 84.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.534 0.207 . . . . 0.0 110.972 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 p -70.47 -45.31 65.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.978 0.418 . . . . 0.0 111.205 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.6 -42.9 99.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HA ' HG22 ' A' ' 33' ' ' VAL . 76.4 t80 -60.92 -42.19 97.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 111.093 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -80.77 -38.99 27.6 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.122 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.3 m -81.37 -25.05 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.472 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.79 -25.93 61.24 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.044 0.449 . . . . 0.0 111.032 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 t -61.4 -41.23 96.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.813 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.49 ' C ' ' HD1' ' A' ' 37' ' ' TYR . 16.9 mt-10 -97.38 24.73 6.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.359 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HD1' ' C ' ' A' ' 36' ' ' GLU . 3.5 m-30 -124.88 170.82 10.7 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -143.61 125.02 14.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.016 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -69.05 127.53 33.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.124 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.1 pt -115.33 4.76 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 112.001 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 164.77 12.18 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.812 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -105.25 153.54 21.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.107 0.479 . . . . 0.0 110.46 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 85' ' ' ALA . 15.9 pt -114.13 164.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 20.8 t -146.42 165.74 28.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 0.0 111.209 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 0.6 OUTLIER -136.36 149.06 48.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.737 -178.114 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t 179.99 155.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.708 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.531 ' O ' ' HD2' ' A' ' 80' ' ' LYS . . . 150.26 -109.62 0.44 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -167.4 31.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.457 0.646 . . . . 0.0 110.017 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.444 ' HA ' ' CE ' ' A' ' 49' ' ' MET . 10.9 mmt -91.24 168.14 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.072 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -66.36 143.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.725 ' HA ' HD11 ' A' ' 81' ' ' ILE . 35.6 Cg_endo -63.92 -28.87 67.03 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 121.898 1.732 . . . . 0.0 112.889 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -76.01 -42.58 47.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.158 173.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.12 -39.75 93.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.59 ' HB3' HD12 ' A' ' 81' ' ' ILE . . . -71.15 -31.28 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -67.26 -49.46 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HA ' HD12 ' A' ' 59' ' ' ILE . 11.6 pt-20 -65.59 -26.91 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.678 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.71 -44.08 87.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.36 -49.84 70.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.831 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.3 mt -56.89 -44.1 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.668 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -73.2 -33.78 65.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.659 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 64' ' ' GLU . 18.9 mtpp -72.08 -40.28 68.36 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.178 0.513 . . . . 0.0 112.167 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.11 172.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.53 -32.89 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 61' ' ' LYS . 21.4 mt-10 -61.04 -42.91 99.38 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.746 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -79.19 -14.79 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 110.709 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 79.91 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.002 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -118.57 146.11 44.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.918 0.389 . . . . 0.0 110.19 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.47 -51.26 4.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.408 ' CG2' ' HE2' ' A' ' 37' ' ' TYR . 44.7 t -127.91 141.03 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.867 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.652 HG12 HG22 ' A' ' 87' ' ' ILE . 27.0 m -119.38 143.17 31.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.5 t -119.45 105.73 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.09 93.09 5.1 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -67.12 -33.16 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.2 p 60.67 161.59 0.05 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.797 1.239 . . . . 0.0 112.613 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.578 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . -88.19 -37.69 7.6 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.42 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 60.58 32.66 20.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 122.35 1.071 . . . . 0.0 108.783 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.773 ' HB ' ' HA ' ' A' ' 81' ' ' ILE . 3.2 m -89.26 -31.98 17.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.978 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 71.37 -54.02 0.67 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.43 0.692 . . . . 0.0 112.239 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -52.26 -72.35 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.511 0.724 . . . . 0.0 111.965 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 53.0 pttt -139.46 4.84 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.451 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.773 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 5.8 mt 62.38 155.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.835 -175.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' THR . 8.8 t-160 -158.6 27.2 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.665 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -103.09 -163.05 25.68 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.988 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 16.0 p -137.95 179.28 6.53 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.372 0.606 . . . . 0.0 112.095 -171.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -154.88 133.56 12.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.553 169.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -112.17 127.17 55.86 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.652 HG22 HG12 ' A' ' 70' ' ' VAL . 30.4 pt -115.95 153.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-O 121.3 0.571 . . . . 0.0 112.15 -170.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -131.48 145.73 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.865 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -108.99 165.54 11.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.0 142.5 38.23 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.43 177.43 1.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 0.0 110.953 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 93' ' ' GLU . 4.2 pp -86.07 -24.28 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HG3' HD12 ' A' ' 92' ' ' LEU . 31.7 mt-10 . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.601 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 0 CA-C-O 121.087 0.47 . . . . 0.0 112.09 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -146.58 179.62 7.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.579 HD13 HG23 ' A' ' 70' ' ' VAL . 12.3 mm -85.34 146.35 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.073 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -128.6 164.01 23.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.597 0.237 . . . . 0.0 110.774 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.9 140.15 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.725 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 62.3 mttp -71.92 -25.77 62.03 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.2 m -65.36 -50.04 67.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.855 0.36 . . . . 0.0 110.355 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.95 -40.26 87.49 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.58 ' HB3' ' HA ' ' A' ' 27' ' ' LYS . 62.5 t80 -54.33 -47.3 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.338 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.75 -33.3 75.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.996 0.427 . . . . 0.0 111.157 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -29.47 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.002 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 30' ' ' PHE . 27.6 m -86.44 -19.28 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.829 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.43 -26.08 52.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.328 0.585 . . . . 0.0 110.344 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -59.62 -42.39 92.56 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.252 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.48 ' C ' ' HD2' ' A' ' 91' ' ' LYS . 5.2 mt-10 -120.47 37.82 4.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.983 0.897 . . . . 0.0 110.886 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.11 -176.46 3.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.15 173.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.3 m -136.51 135.36 38.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.116 0.484 . . . . 0.0 112.038 -174.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.2 122.22 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.393 172.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.518 HG13 HG13 ' A' ' 87' ' ' ILE . 15.7 pt -116.01 5.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 0.0 111.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.27 175.05 18.3 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.376 172.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 m -105.57 151.63 24.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.8 pt -124.5 164.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.587 ' HB3' HG22 ' A' ' 84' ' ' THR . 10.3 p -142.07 179.83 6.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.825 0.345 . . . . 0.0 111.508 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.454 HG21 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -126.8 131.4 51.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.641 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -124.28 162.15 24.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.944 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.7 -25.29 21.97 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.375 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 29.3 mt-10 62.69 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.46 0.648 . . . . 0.0 111.618 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.6 mtm -119.19 -177.6 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.797 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 m -59.74 146.49 80.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -58.85 -40.92 67.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.606 2.204 . . . . 0.0 112.864 -172.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.642 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.2 tt -67.26 -41.71 85.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -42.38 98.94 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.05 0.452 . . . . 0.0 110.302 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.478 ' CB ' HD11 ' A' ' 81' ' ' ILE . . . -65.99 -34.85 79.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.848 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.642 HH21 ' HG ' ' A' ' 52' ' ' LEU . 23.5 mtm180 -60.15 -49.28 78.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.009 175.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 60.5 mt-10 -62.02 -34.07 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.726 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 25.1 t70 -65.74 -45.55 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.22 -51.12 67.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.852 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -49.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.186 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -73.19 -32.16 64.65 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.726 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.8 ttpt -67.42 -43.38 81.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 109.997 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 67' ' ' ALA . . . -60.35 -50.68 72.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.168 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.03 -43.12 81.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.165 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.66 -27.74 69.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.649 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -94.33 5.31 52.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.128 0.49 . . . . 0.0 110.071 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 90.53 11.91 61.74 Favored Glycine 0 C--O 1.225 -0.464 0 CA-C-N 115.716 -0.675 . . . . 0.0 114.043 171.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.626 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -67.3 146.73 53.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.444 0.622 . . . . 0.0 111.927 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.459 ' OD1' ' HD2' ' A' ' 89' ' ' LYS . 2.1 m-20 -104.38 -43.92 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.2 t -119.87 137.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.072 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.635 HG12 HG22 ' A' ' 87' ' ' ILE . 35.2 m -116.46 144.52 23.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -134.79 125.03 45.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.744 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.69 94.68 9.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.058 0.456 . . . . 0.0 110.107 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 p -85.23 -30.55 23.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.231 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -84.75 -150.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.931 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.42 -151.78 8.46 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.7 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.629 ' HG3' HG21 ' A' ' 81' ' ' ILE . 34.7 tt0 -178.35 105.68 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 20.9 m -62.28 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.507 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 27.2 tt0 173.56 -83.93 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.107 0 O-C-N 123.289 0.368 . . . . 0.0 110.728 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -65.02 -32.94 74.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 45.8 pttt -138.13 139.16 39.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 76' ' ' GLN . 28.6 pt -152.49 151.36 11.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -123.07 33.15 5.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.815 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.71 152.6 30.9 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.606 -173.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 44' ' ' SER . 73.1 p -123.09 135.43 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.52 133.21 56.05 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -101.08 127.82 47.44 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.635 HG22 HG12 ' A' ' 70' ' ' VAL . 22.6 pt -115.33 152.67 16.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.624 0.726 . . . . 0.0 112.366 -169.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -126.25 149.54 49.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.337 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB2' HD13 ' A' ' 40' ' ' ILE . 38.2 tptt -115.97 140.64 49.05 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.983 -176.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' HE3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -71.71 134.11 46.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.409 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 76.8 mttt -79.56 172.94 13.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.613 0.72 . . . . 0.0 110.849 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -101.73 3.58 39.74 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 172.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.566 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 25.3 tt0 . . . . . 0 N--CA 1.445 -0.684 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.914 -176.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.607 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.236 0.378 0 CA-C-O 120.637 0.256 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -132.66 157.98 43.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.147 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.679 HD13 HG23 ' A' ' 70' ' ' VAL . 25.8 mm -85.24 144.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.1 mmm -128.35 155.53 44.52 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -71.78 154.46 41.29 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.543 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -51.83 -52.78 46.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.541 0.525 . . . . 0.0 112.162 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 55.4 m -63.98 -50.47 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 111.022 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -69.77 -35.42 74.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.561 ' HA ' HG22 ' A' ' 33' ' ' VAL . 74.4 t80 -63.5 -41.82 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.261 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.39 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 0.0 110.864 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.3 mptt -81.14 -39.47 25.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.2 m -84.55 -9.97 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.555 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.8 68.39 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.502 0.668 . . . . 0.0 109.852 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -76.85 -28.4 55.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.629 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -93.85 -1.73 54.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.209 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.98 -178.71 3.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m -143.99 125.66 15.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' A' ' 41' ' ' GLY . 21.9 ttpt -79.3 128.6 33.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 0.0 111.042 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.08 -14.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' A' ' 39' ' ' LYS . . . 150.82 162.74 10.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.856 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.89 148.64 27.37 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 62' ' ' ALA . 28.6 pt -116.54 164.34 12.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.582 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.7 p -153.03 173.21 15.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.924 0.393 . . . . 0.0 111.453 -177.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.703 HG23 HD21 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -135.5 138.72 43.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.21 177.476 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.9 m -144.49 98.47 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.458 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.43 -137.38 3.26 Favored Glycine 0 N--CA 1.435 -1.411 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.893 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -156.05 95.97 1.67 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.677 0.751 . . . . 0.0 111.666 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.582 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 88.6 mmm -132.67 177.95 7.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.609 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 15.0 m -65.46 143.7 98.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.09 -47.36 20.57 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.478 2.119 . . . . 0.0 113.519 -174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tt -75.26 -37.59 60.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 50' ' ' SER . 37.1 t70 -67.34 -39.66 85.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.982 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 49' ' ' MET . . . -71.45 -33.46 69.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.647 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 55' ' ' ARG . 37.3 mtm180 -65.92 -48.74 70.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -60.67 -35.12 75.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 29.8 t70 -63.31 -43.34 98.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.972 0.415 . . . . 0.0 109.96 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.703 HD21 HG23 ' A' ' 45' ' ' THR . 23.1 mt -64.43 -52.31 58.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.3 mt -60.78 -48.35 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.3 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -69.39 -33.88 73.69 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.762 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -69.8 -44.19 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.763 0.315 . . . . 0.0 110.866 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.82 -42.27 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 0.0 110.222 172.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -58.62 -42.34 87.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.057 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.06 -37.14 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.76 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -67.16 -25.67 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.3 56.27 0.46 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.676 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -106.88 143.63 34.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -97.29 -40.86 8.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.413 0.625 . . . . 0.0 109.688 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.77 137.24 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.39 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.679 HG23 HD13 ' A' ' 24' ' ' ILE . 19.2 m -127.63 144.46 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.309 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.9 t -131.56 124.05 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.236 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.34 105.37 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.691 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -0.7 55.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.255 0.55 . . . . 0.0 111.07 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -61.39 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.637 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.02 76.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.158 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -127.16 -87.85 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.883 0.373 . . . . 0.0 110.736 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t 177.28 122.96 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -24.25 -63.53 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -56.05 -34.48 65.94 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -168.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -134.01 45.38 2.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.8 pt -49.14 117.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.821 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.601 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.0 t-160 -125.78 61.86 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.377 -1.283 . . . . 0.0 107.643 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.9 169.68 21.21 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.537 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 44' ' ' SER . 17.3 p -125.28 163.61 22.14 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.544 0.338 . . . . 0.0 110.207 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -143.45 132.67 23.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 171.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.07 119.9 40.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.182 0.515 . . . . 0.0 109.954 -173.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.66 HG22 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -116.88 153.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.145 -171.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.94 148.87 48.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.762 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -107.19 153.02 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.674 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -73.63 145.96 44.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -83.65 -168.15 2.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.309 0.576 . . . . 0.0 110.85 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 pp -110.42 6.8 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.724 179.476 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.237 0 CA-C-O 120.703 0.287 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -112.06 164.05 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.529 . . . . 0.0 111.51 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mm -95.64 139.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.665 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mmt -135.27 156.45 48.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 111.067 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.77 -174.76 4.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.867 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 9.1 tmtt? -82.44 -34.24 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 40.4 p -66.15 -49.72 66.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.964 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.88 -38.84 89.81 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.036 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 t80 -56.49 -46.94 80.21 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.874 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.24 -32.23 72.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.306 0.575 . . . . 0.0 110.737 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.4 mptt -83.77 -30.12 26.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.811 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.2 m -88.14 -24.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.553 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.78 -22.04 63.69 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 0.0 110.982 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -56.28 -32.0 64.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.641 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.34 18.96 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.637 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.7 m-85 -127.39 168.59 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 91' ' ' LYS . 92.0 m -145.82 131.07 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.051 -177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -75.93 112.09 11.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -91.31 -16.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.687 0.279 . . . . 0.0 111.511 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.11 -179.18 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -106.95 153.73 22.12 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.418 HG13 HD22 ' A' ' 58' ' ' LEU . 28.1 pt -129.14 163.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 t -152.26 175.09 13.0 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.674 HG21 ' HB1' ' A' ' 54' ' ' ALA . 6.3 p -102.27 140.2 36.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.5 m -122.43 108.04 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.262 0.553 . . . . 0.0 110.581 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.56 -111.78 0.79 Allowed Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 179.99 101.77 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.811 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.5 mmt -132.52 164.25 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.762 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.62 154.33 93.47 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.469 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.9 Cg_endo -47.39 -55.41 3.97 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.595 2.864 . . . . 0.0 114.022 -172.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 mp -68.03 -32.18 72.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.617 0.246 . . . . 0.0 111.248 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.25 -39.19 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.108 0.48 . . . . 0.0 109.941 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.13 -32.21 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.19 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 98.0 mtt180 -61.82 -47.51 84.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.692 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 40.8 mm-40 -57.13 -40.39 77.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.051 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.3 t70 -62.79 -43.69 98.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.474 0.654 . . . . 0.0 109.728 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.418 HD22 HG13 ' A' ' 43' ' ' ILE . 91.6 mt -64.22 -49.93 70.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.53 -46.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.252 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -72.99 -34.88 66.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.427 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.1 ttpt -67.39 -41.61 84.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.683 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 43' ' ' ILE . . . -66.12 -37.9 86.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.404 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.44 -42.69 96.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.704 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.42 -38.09 79.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -79.56 -23.36 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.25 44.21 3.06 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.772 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.97 33.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.496 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 3.3 m-20 -84.1 -44.05 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.494 0.664 . . . . 0.0 110.189 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.25 140.07 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.997 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.617 HG12 HG22 ' A' ' 87' ' ' ILE . 33.3 m -123.24 143.15 37.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.0 t -122.16 109.26 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -77.33 84.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.193 0.521 . . . . 0.0 110.536 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -75.38 -39.55 59.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.83 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.889 ' HA ' ' H ' ' A' ' 84' ' ' THR . 46.1 m 57.73 -164.64 0.17 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.505 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.43 -103.62 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.912 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -131.96 -3.31 3.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.8 t 178.52 127.09 0.06 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.534 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.43 2.55 0.4 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.625 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -48.57 -50.99 29.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.827 0.451 . . . . 0.0 111.229 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -106.09 11.72 31.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 82' ' ' HIS . 4.7 mt 61.78 -135.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.695 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.42 ' H ' HG22 ' A' ' 81' ' ' ILE . 36.4 t-80 66.67 91.4 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.922 0.889 . . . . 0.0 109.485 -171.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.67 134.96 12.52 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.656 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.889 ' H ' ' HA ' ' A' ' 74' ' ' SER . 1.6 m -128.91 154.81 46.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.98 133.56 17.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 111.576 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.16 120.48 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.617 HG22 HG12 ' A' ' 70' ' ' VAL . 28.6 pt -111.55 153.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.211 0.529 . . . . 0.0 111.945 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -137.51 141.89 41.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.265 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -110.73 162.33 14.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.458 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -77.02 144.6 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 34.0 mtpt -86.16 -172.14 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.686 0.755 . . . . 0.0 111.699 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -95.34 -20.1 19.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.057 175.098 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.438 ' OE2' ' HG ' ' A' ' 92' ' ' LEU . 14.2 mp0 . . . . . 0 C--N 1.324 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.726 169.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.213 0 CA-C-O 121.301 0.572 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -129.18 161.84 29.19 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.703 HD13 HG23 ' A' ' 70' ' ' VAL . 39.6 mm -83.5 143.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.441 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 tpt -122.75 137.01 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.68 147.49 32.65 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 173.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.89 -45.62 74.7 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -66.77 -38.56 86.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.15 -41.03 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' HG22 ' A' ' 33' ' ' VAL . 45.3 t80 -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.3 -32.75 71.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 0.0 111.133 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -83.36 -32.45 26.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.524 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.7 m -85.14 -14.23 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.852 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.56 -27.13 64.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.275 0.56 . . . . 0.0 110.22 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -66.13 -37.66 86.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.429 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -102.25 18.66 20.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.33 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.609 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 15.2 m-85 -132.63 167.53 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 111.585 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.6 m -130.13 152.77 49.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.202 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -93.13 122.71 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.249 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 89' ' ' LYS . 12.2 pt -111.22 -2.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.922 0.392 . . . . 0.0 110.806 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.1 170.04 13.04 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.731 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 86' ' ' ASP . 4.0 m -105.24 151.42 24.12 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.11 164.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.497 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -158.3 175.75 13.34 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.981 0.42 . . . . 0.0 111.677 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -161.28 162.92 31.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.88 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 m -151.01 144.23 24.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.157 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.52 -122.34 1.09 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.528 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -155.97 40.34 0.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.694 0.759 . . . . 0.0 109.277 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 mmt -88.35 -168.92 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.943 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -99.38 149.21 35.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.4 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -53.6 -46.4 34.04 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.912 2.408 . . . . 0.0 113.343 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.51 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.6 mp -75.28 -34.14 61.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.914 0.388 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.98 -46.14 82.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.09 71.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.677 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.51 HH21 ' HG ' ' A' ' 52' ' ' LEU . 37.5 mtm180 -64.49 -48.04 76.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.097 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -62.21 -35.25 78.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.13 -45.61 84.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.84 -49.68 50.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.92 -41.45 90.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.266 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.0 mmtm -73.58 -29.59 62.51 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 64' ' ' GLU . 21.6 mtpp -75.13 -39.27 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.392 0.615 . . . . 0.0 111.464 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.55 -44.79 81.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.252 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.15 -34.88 79.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.273 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 22.7 mt-10 -64.74 -22.1 66.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.141 174.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -87.77 -12.52 44.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.55 9.36 58.94 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.727 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -61.53 146.5 48.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.404 0.621 . . . . 0.0 111.951 -176.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.513 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 3.3 m-20 -99.32 -45.34 5.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.197 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -122.7 138.72 51.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.913 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.703 HG23 HD13 ' A' ' 24' ' ' ILE . 34.9 m -122.14 143.03 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.826 0.346 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.38 104.99 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.4 96.17 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.441 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -72.91 -43.41 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.566 ' HA ' ' H ' ' A' ' 84' ' ' THR . 86.7 p 54.24 -171.78 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.552 -1.204 . . . . 0.0 113.794 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.92 106.88 0.66 Allowed Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -79.79 88.32 5.24 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.114 0.959 . . . . 0.0 109.873 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 80' ' ' LYS . 8.7 m -135.2 -95.5 0.26 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.811 -1.541 . . . . 0.0 110.623 168.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -179.65 -70.55 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.79 -51.01 3.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 111.109 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 77' ' ' THR . 19.9 ptmt -77.83 45.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.493 0.664 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.97 125.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.691 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -96.66 95.55 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.34 142.28 38.81 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.566 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -146.55 141.63 27.18 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.17 14.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.765 0.317 . . . . 0.0 110.526 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HA ' HG23 ' A' ' 42' ' ' THR . 36.8 t70 -103.1 121.27 42.26 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.604 HG22 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -114.95 153.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.52 0.676 . . . . 0.0 112.373 -167.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -130.75 152.62 49.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.738 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.513 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 46.5 tptt -119.49 142.17 48.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.473 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -65.85 141.16 58.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.629 0.252 . . . . 0.0 110.587 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.609 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.3 mttt -77.74 178.76 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.449 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 77.2 mt -79.57 -4.76 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.166 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 . . . . . 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.288 177.213 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.463 0.204 0 CA-C-O 121.171 0.51 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -104.97 161.11 14.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.74 HD13 HG23 ' A' ' 70' ' ' VAL . 26.3 mm -92.63 133.21 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 175.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.408 ' SD ' HG13 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -113.86 136.02 53.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -69.37 158.6 34.76 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.596 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -62.66 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -63.83 -38.07 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.41 . . . . 0.0 110.712 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.41 -32.82 54.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.743 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.563 ' HA ' HG22 ' A' ' 33' ' ' VAL . 84.9 t80 -59.87 -49.66 76.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.522 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.67 -31.08 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 0.0 110.588 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -80.45 -37.78 31.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.711 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.586 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 33.0 m -85.21 -11.8 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.334 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.21 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.571 0.7 . . . . 0.0 110.035 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.5 t -87.51 -12.27 46.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.53 0.39 8.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.673 -175.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.586 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 77.1 m-85 -130.68 162.08 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.4 m -131.92 129.95 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 111.745 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 39.4 ttmt -72.63 129.76 39.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.354 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' HE3' ' A' ' 65' ' ' LYS . 21.4 pt -103.33 -4.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.0 110.886 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.435 ' H ' ' HG2' ' A' ' 39' ' ' LYS . . . 142.41 174.88 15.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -105.4 151.46 24.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.527 HG13 HD22 ' A' ' 58' ' ' LEU . 17.5 pt -126.53 165.01 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.607 ' HB3' HG22 ' A' ' 84' ' ' THR . 2.7 p -156.79 171.41 20.44 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.0 111.927 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -155.31 150.76 27.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.044 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -175.0 144.72 0.77 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.983 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.82 -97.34 0.17 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.11 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.08 88.4 1.02 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.6 mtt -145.58 -173.23 4.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.588 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -94.52 153.43 40.32 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.86 -32.0 90.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.118 1.879 . . . . 0.0 111.906 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.0 mt -71.02 -41.45 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -62.97 -39.61 95.21 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 109.907 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.673 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -64.16 -42.47 96.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.546 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.2 -46.89 84.93 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.228 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.46 -36.65 78.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.608 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.737 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.6 t70 -62.38 -45.93 90.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.527 HD22 HG13 ' A' ' 43' ' ' ILE . 87.6 mt -62.91 -52.54 62.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.088 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.5 mt -62.12 -45.35 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.375 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.658 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 48.1 mtpt -73.4 -35.53 65.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.106 -177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.737 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.4 ttpt -66.39 -39.53 89.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.29 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.54 -35.35 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.688 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 16.7 mm-40 -56.3 -36.74 69.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.531 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' ' 40' ' ' ILE . 32.5 ttpt -91.81 -26.21 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 110.25 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.35 60.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . . . -91.04 164.3 14.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.755 0.312 . . . . 0.0 110.293 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -115.79 -30.98 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.443 0.639 . . . . 0.0 110.026 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 92.5 t -125.12 137.92 56.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.961 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.74 HG23 HD13 ' A' ' 24' ' ' ILE . 28.7 m -130.07 142.38 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.917 0.389 . . . . 0.0 110.157 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.52 106.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.83 88.4 1.33 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.444 ' H ' ' HA ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -61.13 -44.68 96.96 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.151 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m 67.56 177.88 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.159 0.912 . . . . 0.0 111.829 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.23 152.27 24.35 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 64.91 3.13 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.893 0.854 . . . . 0.0 109.636 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.637 ' OG1' ' HB2' ' A' ' 82' ' ' HIS . 2.7 m -129.47 -71.89 0.61 Allowed 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.455 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 70.24 -50.13 0.65 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.804 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -48.78 -70.28 0.09 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.856 0.462 . . . . 0.0 111.909 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 80' ' ' LYS . 15.6 ptpt -106.07 5.47 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 109.633 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 54' ' ' ALA . 6.0 mt 63.66 148.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 113.871 -1.513 . . . . 0.0 112.826 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.637 ' HB2' ' OG1' ' A' ' 77' ' ' THR . 1.4 m-70 -156.46 28.92 0.34 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.816 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.589 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -76.0 139.55 24.45 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.294 -169.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 44' ' ' SER . 62.0 p -116.82 166.84 11.69 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.112 -0.544 . . . . 0.0 109.878 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -150.71 133.85 16.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.19 123.27 46.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.624 HG22 HG12 ' A' ' 70' ' ' VAL . 24.3 pt -115.12 152.25 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 0.0 111.792 -173.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.565 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 45.8 m-85 -137.37 155.18 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.792 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 67' ' ' ALA . 20.2 mtpp -116.34 159.12 22.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 82.9 tttt -82.95 136.72 34.45 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.652 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -98.09 -164.03 1.1 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.4 pt? -117.13 18.22 14.62 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.769 -172.145 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.235 0.295 0 CA-C-O 121.13 0.491 . . . . 0.0 112.276 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -139.52 154.38 47.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.659 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mm -92.23 125.48 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.71 0.291 . . . . 0.0 110.242 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 12.6 mmt -99.46 156.12 17.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.673 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -66.21 156.98 32.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -64.12 -33.3 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.045 0.45 . . . . 0.0 110.686 -176.348 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 p -75.67 -51.0 13.75 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.814 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.47 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.9 m-20 -56.96 -39.02 73.8 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.276 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HA ' HG22 ' A' ' 33' ' ' VAL . 51.4 t80 -56.32 -44.8 80.3 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.269 0.355 . . . . 0.0 110.999 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.21 -31.54 72.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.751 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.01 -32.83 26.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.7 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.7 m -85.71 -21.33 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.989 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.63 -24.77 58.24 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.22 0.533 . . . . 0.0 110.933 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -56.81 -41.67 78.19 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.631 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.14 26.71 5.64 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.888 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 5.1 m-30 -121.49 169.75 10.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -170.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -147.89 130.82 16.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.302 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.15 123.19 33.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.898 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 pt -95.8 -4.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.845 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.98 165.17 10.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.368 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -106.9 155.44 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.401 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -125.99 163.29 27.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 2.2 p -161.24 168.65 23.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.449 HG23 HD21 ' A' ' 58' ' ' LEU . 9.1 p -145.9 142.79 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.945 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 m -153.73 128.41 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.222 -0.299 . . . . 0.0 110.67 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.2 -112.22 0.7 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.842 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.94 116.89 13.23 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -143.02 174.29 10.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.867 -176.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.652 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 15.5 m -99.17 143.98 27.4 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.33 -53.66 5.0 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.434 2.089 . . . . 0.0 113.416 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.562 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 7.8 mp -75.05 -31.73 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.547 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.652 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 7.8 m-20 -70.47 -34.73 72.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.65 75.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.061 0.457 . . . . 0.0 110.086 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD2' ' OE1' ' A' ' 76' ' ' GLN . 22.1 mtp180 -60.49 -42.48 96.41 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.87 -43.92 81.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.677 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.9 t70 -65.24 -41.55 94.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.423 0.63 . . . . 0.0 110.114 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 HD21 HG23 ' A' ' 45' ' ' THR . 73.8 mt -70.07 -51.16 34.1 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.288 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.51 -40.72 80.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.477 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.1 mmtm -70.18 -35.53 74.03 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.54 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.7 ttpt -71.74 -40.83 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.481 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.14 82.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.715 171.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -61.75 -43.05 99.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.394 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 25.6 mt-10 -61.81 -41.78 98.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.572 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -75.28 -25.92 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.061 0.458 . . . . 0.0 110.268 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.7 88.43 1.62 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.6 175.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . . . -128.49 149.37 50.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.427 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -93.17 -39.01 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 109.477 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' OD2' ' A' ' 68' ' ' ASP . 43.1 t -126.49 141.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.194 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 87' ' ' ILE . 48.6 t -119.51 142.79 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.443 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.12 113.41 37.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.02 94.97 8.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.857 0.36 . . . . 0.0 110.635 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.45 1.53 55.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.367 0.603 . . . . 0.0 111.712 177.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -54.63 144.27 22.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.082 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.02 87.59 1.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.609 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 22.8 tt0 -83.06 79.11 9.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.835 0.826 . . . . 0.0 111.334 -170.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 11.8 m -68.03 -78.62 0.06 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.583 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.81 -83.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.869 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.31 -49.2 8.97 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.172 0.51 . . . . 0.0 109.721 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.558 ' O ' ' HB ' ' A' ' 77' ' ' THR . 55.9 pttt -94.39 131.29 40.21 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.7 pt -153.44 135.2 5.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.328 -173.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.11 86.43 4.59 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 166.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.417 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . -83.31 142.69 21.41 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.497 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 2.2 m -155.26 151.14 27.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 132.54 10.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.8 116.66 32.35 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.449 HG22 HG13 ' A' ' 70' ' ' VAL . 24.6 pt -105.34 152.65 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.24 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -136.71 160.74 37.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.619 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 8.4 mmmm -128.62 158.79 37.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.424 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -64.1 150.87 44.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.907 0.384 . . . . 0.0 110.032 170.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -74.76 175.24 8.15 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.985 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.7 pt? -84.15 -22.79 30.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.667 0.746 . . . . 0.0 109.63 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 . . . . . 0 C--N 1.319 -0.746 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.283 178.769 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.234 0.278 0 CA-C-O 121.153 0.501 . . . . 0.0 110.967 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.504 ' HB3' HG22 ' A' ' 69' ' ' VAL . 3.8 tp10 -93.2 153.77 18.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.338 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.46 154.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 22.1 mmt -130.54 144.36 51.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 112.598 -177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -82.09 152.32 26.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 163.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -57.71 -39.23 76.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.569 0.622 . . . . 0.0 111.27 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -60.16 -46.6 89.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -68.81 -39.87 79.84 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.458 ' HA ' HG22 ' A' ' 33' ' ' VAL . 39.0 t80 -55.5 -46.52 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.025 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.09 -32.06 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 0.0 110.726 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.13 -42.38 47.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' A' ' 30' ' ' PHE . 24.3 m -80.58 -12.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.032 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -20.03 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 109.934 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 t -89.04 -16.4 31.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.502 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -113.31 7.4 17.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.518 -177.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.38 -179.7 5.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.39 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -142.6 128.96 20.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.746 0.307 . . . . 0.0 111.237 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -64.31 130.51 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.024 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.92 -6.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.693 0.282 . . . . 0.0 111.329 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.15 168.26 11.58 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -106.3 152.58 23.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.9 pt -125.6 163.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.467 ' HB3' HG23 ' A' ' 84' ' ' THR . 2.3 p -157.09 160.56 38.99 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.321 0.581 . . . . 0.0 111.581 177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.449 HG23 ' HG ' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -113.2 130.5 56.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.954 175.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 m -153.04 118.24 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.753 0.311 . . . . 0.0 110.308 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.81 -119.29 0.87 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -134.96 99.02 4.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.296 0.238 . . . . 0.0 110.602 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.5 ' HB2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmt -150.94 -178.47 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 144.36 27.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -55.85 -52.01 8.39 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.051 2.501 . . . . 0.0 113.432 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.78 -37.1 85.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.08 -34.58 73.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.26 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.85 -38.62 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.323 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.25 -53.12 61.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.8 -43.19 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.898 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.0 t70 -68.48 -36.95 79.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.397 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 45' ' ' THR . 23.6 mt -66.11 -50.79 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.3 mt -62.98 -36.76 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.1 ttmm -68.74 -49.41 59.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.533 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 7.3 ttpt -67.48 -36.41 81.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.164 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.77 -47.83 76.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 170.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.29 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.225 0.536 . . . . 0.0 109.918 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 56.6 mt-10 -68.49 -38.27 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.879 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -71.43 -25.42 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.89 32.65 2.01 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.03 177.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.661 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -93.11 149.27 21.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.722 0.296 . . . . 0.0 111.058 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.9 t70 -110.57 -33.74 6.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.571 . . . . 0.0 110.41 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 23' ' ' GLU . 9.6 t -126.62 141.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.266 175.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.642 HG12 HG22 ' A' ' 87' ' ' ILE . 34.6 m -122.43 142.54 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.974 0.416 . . . . 0.0 110.022 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.48 103.01 14.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.79 86.12 4.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.748 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -17.32 57.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 173.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -50.23 126.02 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.673 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.24 -85.47 0.23 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.121 -1.037 . . . . 0.0 111.158 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -159.91 -60.62 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.5 m 52.82 86.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.166 0.916 . . . . 0.0 111.594 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -90.99 -22.02 21.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.625 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -44.61 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.006 0.816 . . . . 0.0 111.408 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -143.96 14.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.686 0.755 . . . . 0.0 109.207 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 83' ' ' GLY . 6.8 mt 65.81 149.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 113.972 -1.467 . . . . 0.0 112.733 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -164.43 31.08 0.07 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.619 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -68.81 141.85 37.17 Favored Glycine 0 CA--C 1.503 -0.718 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.971 -174.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -118.4 148.65 42.32 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 120.785 0.326 . . . . 0.0 110.54 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.06 132.64 25.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.77 122.47 47.22 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 67' ' ' ALA . 25.9 pt -115.82 153.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.693 0.758 . . . . 0.0 113.022 -168.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -131.5 153.3 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.457 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -109.24 148.32 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -72.94 156.32 38.97 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.985 0.422 . . . . 0.0 110.645 -178.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -91.91 176.72 6.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.221 0.534 . . . . 0.0 110.439 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.569 HD23 ' H ' ' A' ' 92' ' ' LEU . 1.8 pt? -107.24 6.15 28.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 . . . . . 0 C--N 1.322 -0.589 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.309 -175.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.335 0 CA-C-O 121.011 0.434 . . . . 0.0 111.783 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.97 152.71 33.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.846 HD13 HG23 ' A' ' 70' ' ' VAL . 29.6 mm -82.48 142.05 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.102 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 mmt -129.5 139.41 51.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.004 0.43 . . . . 0.0 111.618 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE3' ' OD1' ' A' ' 29' ' ' ASP . 40.5 mtmt -59.89 156.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.117 171.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -71.88 -22.54 61.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.74 0.305 . . . . 0.0 111.792 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.3 p -69.33 -50.06 49.97 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.228 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.5 m-20 -72.21 -29.7 64.22 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.321 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' HG22 ' A' ' 33' ' ' VAL . 60.4 t80 -56.6 -48.32 77.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.07 -33.58 75.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.164 0.507 . . . . 0.0 110.747 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.27 -37.94 43.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.656 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.659 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 22.5 m -82.95 -8.75 11.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.716 0.293 . . . . 0.0 110.718 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.72 -14.91 56.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.493 0.663 . . . . 0.0 109.977 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -93.32 -25.39 17.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.574 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -99.15 -7.99 25.8 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.249 -177.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.659 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 86.7 m-85 -129.87 163.91 25.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 0.0 111.169 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -127.61 152.5 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 41' ' ' GLY . 8.7 tppt? -78.67 133.46 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.136 0.574 . . . . 0.0 110.452 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.802 HD13 ' HG2' ' A' ' 89' ' ' LYS . 22.7 pt -125.54 15.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.411 . . . . 0.0 111.474 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' H ' ' HG3' ' A' ' 39' ' ' LYS . . . 110.86 167.79 19.08 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.702 175.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -106.4 158.25 17.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 pt -119.93 164.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -149.79 178.04 9.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.764 0.316 . . . . 0.0 110.476 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.711 HG21 ' HB1' ' A' ' 54' ' ' ALA . 1.6 p -127.8 131.28 49.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.4 m -154.87 131.96 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.07 -6.87 2.88 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.586 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 80' ' ' LYS . 39.5 mt-10 61.45 93.13 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.465 0.65 . . . . 0.0 111.305 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 83.0 mtp -135.64 -167.44 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.907 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 m -82.04 144.02 50.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.57 -42.5 26.28 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 82.7 mt -69.47 -39.61 77.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 0.0 110.288 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.82 -38.87 92.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.711 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -63.93 -43.09 96.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.78 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.504 ' HG2' HD11 ' A' ' 59' ' ' ILE . 16.8 ttt180 -58.4 -51.62 69.04 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 41.4 mt-10 -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.046 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 26.4 t70 -67.69 -43.52 79.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.102 0.477 . . . . 0.0 110.092 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.425 HD11 HG23 ' A' ' 45' ' ' THR . 34.7 mt -64.28 -49.42 71.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.967 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.504 HD11 ' HG2' ' A' ' 55' ' ' ARG . 53.3 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.287 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.65 -40.8 76.25 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.516 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.0 ttpt -68.08 -42.0 81.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.652 0.263 . . . . 0.0 111.392 -175.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.583 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -59.76 -47.31 86.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.108 0.48 . . . . 0.0 110.563 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.94 -39.4 91.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.53 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.31 -26.12 59.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.253 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -73.04 -21.02 60.87 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.6 -1.86 15.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.597 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 40' ' ' ILE . . . -56.29 148.36 18.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.901 0.35 . . . . 0.0 111.231 -176.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -98.35 -37.89 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.627 -178.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -125.41 138.86 53.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.77 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.846 HG23 HD13 ' A' ' 24' ' ' ILE . 16.8 m -123.63 142.25 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.022 0.439 . . . . 0.0 110.301 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -124.69 109.79 23.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.936 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -81.46 77.19 8.35 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -62.21 -41.16 98.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.312 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m 60.43 -172.8 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.015 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.97 -153.06 5.83 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -146.16 50.28 1.17 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 122.069 0.937 . . . . 0.0 110.824 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 9.4 m -132.19 78.85 1.83 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.066 174.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.33 -16.81 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.076 -172.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -55.75 -63.95 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.345 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.721 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -105.61 -9.08 17.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.407 0.622 . . . . 0.0 110.603 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 8.5 mt 63.2 148.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.157 -171.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -166.2 29.05 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.41 141.42 27.72 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.876 -176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -112.56 156.89 21.88 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.44 132.49 35.5 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.63 125.58 52.02 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.81 HG22 HG12 ' A' ' 70' ' ' VAL . 18.4 pt -116.0 153.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.464 0.649 . . . . 0.0 112.722 -169.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 74.1 m-85 -131.9 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.999 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.802 ' HG2' HD13 ' A' ' 40' ' ' ILE . 21.0 mmmt -109.92 159.54 17.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.156 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -63.66 157.71 23.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.386 0.613 . . . . 0.0 110.535 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mttp -95.55 173.47 7.48 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.728 176.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.2 pt? -93.43 -3.8 52.48 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.922 -176.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 . . . . . 0 N--CA 1.448 -0.537 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.3 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.235 0.291 0 CA-C-O 121.241 0.543 . . . . 0.0 111.214 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HB3' ' HE2' ' A' ' 25' ' ' MET . 3.3 tp10 -119.37 144.32 46.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.192 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.737 HD13 HG23 ' A' ' 70' ' ' VAL . 15.5 mm -83.6 129.26 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.474 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 21.2 mmt -114.17 157.93 22.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -79.71 151.48 30.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.98 -22.17 62.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 p -77.8 -53.67 7.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.5 -29.24 56.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.252 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.515 ' HA ' HG22 ' A' ' 33' ' ' VAL . 23.7 t80 -61.27 -43.07 99.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.68 -30.47 71.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -74.51 -45.37 46.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.9 m -74.44 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.767 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.59 43.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.983 0.42 . . . . 0.0 111.086 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -70.09 -31.11 68.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.785 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.46 13.21 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.505 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.512 ' CE2' HG23 ' A' ' 69' ' ' VAL . 9.0 m-85 -116.75 169.35 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.264 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 m -139.0 135.8 34.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.977 0.418 . . . . 0.0 110.907 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -76.11 122.18 23.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.163 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' A' ' 89' ' ' LYS . 13.2 pt -92.76 -17.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.402 175.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.75 14.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.006 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.14 152.43 22.81 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 85' ' ' ALA . 17.0 pt -117.24 163.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.523 ' HB2' HG22 ' A' ' 84' ' ' THR . 29.6 t -155.71 167.13 31.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.095 0.474 . . . . 0.0 110.534 -177.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.527 HG21 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -108.06 160.35 15.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.463 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -150.37 120.98 7.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.22 7.6 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.641 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.46 115.13 2.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.11 169.2 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.645 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 21.4 m -69.01 141.5 92.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.476 ' HA ' HD13 ' A' ' 81' ' ' ILE . 17.8 Cg_endo -60.27 -55.91 1.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.765 2.31 . . . . 0.0 113.709 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -72.53 -32.45 66.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 16.2 m-20 -71.2 -37.7 72.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.965 -178.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -70.84 -32.91 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.255 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -66.76 -43.78 83.18 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.3 tm-20 -56.42 -42.91 78.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.116 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 21.9 t70 -69.36 -33.32 72.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 0.0 110.57 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.417 HD11 HG23 ' A' ' 45' ' ' THR . 48.7 mt -66.0 -42.8 89.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.922 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 56' ' ' GLU . 29.4 mt -63.02 -41.97 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.685 178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 35.1 mtpt -55.51 -52.97 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.765 174.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -62.37 -38.28 88.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.583 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.24 87.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.694 174.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.92 -41.97 90.73 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.45 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.18 -35.78 78.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.936 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -75.98 -34.29 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.826 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.53 18.96 10.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.33 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -65.49 145.32 56.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.47 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.3 t70 -96.61 -39.53 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 37' ' ' TYR . 39.9 t -114.46 135.17 55.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.093 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.737 HG12 HG22 ' A' ' 87' ' ' ILE . 22.2 m -127.23 142.0 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.95 128.34 62.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.453 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.62 99.73 11.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.484 . . . . 0.0 110.199 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -89.14 -10.68 46.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.416 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 p -46.36 124.87 6.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.573 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.16 -20.44 77.39 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.279 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.99 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.456 ' H ' HG22 ' A' ' 81' ' ' ILE . 1.4 p -93.98 -76.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -179.19 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.25 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -105.15 -47.77 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.518 0.675 . . . . 0.0 110.288 -175.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.01 44.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 51' ' ' PRO . 18.8 pt -78.24 129.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.634 0.73 . . . . 0.0 112.749 -173.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -113.61 38.12 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 168.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.65 141.89 35.83 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.409 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 44' ' ' SER . 45.9 p -106.47 169.5 8.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.209 0.528 . . . . 0.0 111.091 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -141.45 133.4 27.54 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -110.26 120.67 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.017 0.437 . . . . 0.0 109.916 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.737 HG22 HG12 ' A' ' 70' ' ' VAL . 23.6 pt -116.27 153.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.312 0.577 . . . . 0.0 112.359 -170.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -134.3 150.79 51.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.752 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 21.2 mmmt -113.46 157.98 21.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.264 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HE3' ' OH ' ' A' ' 37' ' ' TYR . 35.6 mttt -74.83 145.91 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -91.12 -174.93 4.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.887 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 93' ' ' GLU . 4.0 pp -95.93 -24.02 16.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.177 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 92' ' ' LEU . 35.3 tt0 . . . . . 0 C--N 1.32 -0.678 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.305 176.641 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.636 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.235 0.341 0 CA-C-O 120.981 0.42 . . . . 0.0 111.862 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -137.27 155.78 49.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.923 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.78 HD13 HG23 ' A' ' 70' ' ' VAL . 19.1 mm -84.43 133.71 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.0 mtp -120.61 -175.23 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.48 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 66.8 mttm -82.65 -163.79 0.76 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -103.61 -44.06 5.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.2 m -70.87 -47.89 56.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.423 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.3 p30 -69.52 -32.39 71.2 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.033 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' HG22 ' A' ' 33' ' ' VAL . 78.2 t80 -59.95 -40.67 89.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.034 0.445 . . . . 0.0 110.691 176.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.6 -33.75 76.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -83.17 -31.22 27.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.651 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.1 m -87.25 -12.28 10.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.902 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.1 -23.72 64.06 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.39 0.614 . . . . 0.0 110.211 174.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -62.01 -41.98 98.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.269 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -84.07 5.53 25.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.821 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' A' ' 69' ' ' VAL . 19.7 m-30 -127.5 178.83 5.83 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 111.482 -171.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -147.25 162.51 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -117.21 118.13 31.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.912 0.386 . . . . 0.0 110.903 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 67' ' ' ALA . 21.4 pt -84.58 -25.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.375 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.02 176.15 26.06 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.658 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -105.94 150.99 25.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 pt -124.69 164.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.634 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -145.64 176.0 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 112.687 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 2.3 p -123.77 138.6 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.492 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -143.67 108.44 4.9 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.959 0.409 . . . . 0.0 111.3 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.29 -119.35 0.89 Allowed Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.039 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -168.56 86.96 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.319 0.581 . . . . 0.0 110.608 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -136.24 168.07 20.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.768 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.9 m -67.06 148.55 98.84 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.629 0.252 . . . . 0.0 110.841 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.733 ' HD3' ' HG3' ' A' ' 78' ' ' GLU . 12.0 Cg_endo -54.74 -45.25 42.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.55 2.833 . . . . 0.0 113.9 -171.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 5.7 mp -71.51 -34.46 70.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.11 -38.51 88.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -60.84 -42.1 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.447 175.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 36.3 mtm180 -57.65 -57.53 12.32 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.971 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 59' ' ' ILE . 31.9 mt-10 -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.638 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 17.1 t70 -62.81 -47.01 85.29 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 85' ' ' ALA . 55.3 mt -62.39 -48.02 81.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.969 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.0 mt -59.81 -46.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.622 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -73.06 -30.89 64.04 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 120.757 0.313 . . . . 0.0 110.618 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -69.75 -43.07 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.33 86.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.15 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.75 -35.2 80.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.533 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.92 -41.81 82.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.417 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -73.65 -34.72 65.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.17 60.59 0.45 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.642 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -111.33 151.75 28.05 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.636 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 90.1 m-20 -104.74 -31.69 9.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.532 HG21 ' CE2' ' A' ' 37' ' ' TYR . 18.6 t -124.76 139.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.78 HG23 HD13 ' A' ' 24' ' ' ILE . 15.3 m -129.32 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.32 114.3 28.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.823 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.5 mt -84.03 84.74 7.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.398 0.618 . . . . 0.0 110.264 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.66 0.75 56.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.908 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 132.9 23.97 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.591 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.71 98.26 0.46 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 171.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.61 75.36 0.81 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 122.241 1.019 . . . . 0.0 111.021 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 m -79.99 -13.91 58.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.401 173.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.733 ' HG3' ' HD3' ' A' ' 51' ' ' PRO . 37.6 tt0 73.06 -70.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.665 0.786 . . . . 0.0 112.242 174.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -59.71 4.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 0.0 111.986 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -112.29 61.08 0.63 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.801 0.81 . . . . 0.0 110.312 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 54' ' ' ALA . 22.2 pt -49.25 122.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.309 -1.314 . . . . 0.0 112.866 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.614 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.5 t-80 -148.79 48.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.07 166.17 15.43 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.623 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 44' ' ' SER . 21.5 p -112.97 153.49 27.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.541 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -121.12 134.39 55.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.38 115.11 29.76 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.643 HG22 HG12 ' A' ' 70' ' ' VAL . 30.3 pt -116.54 152.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.906 -171.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CD1' ' HZ ' ' A' ' 30' ' ' PHE . 5.7 m-85 -135.41 152.22 51.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.016 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -119.7 137.76 53.71 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . 0.552 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 17.2 pttm -69.56 165.03 21.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.637 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -85.1 178.83 7.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.913 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.4 mt -89.76 1.56 55.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.067 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 . . . . . 0 CA--C 1.535 0.4 0 O-C-N 123.735 0.647 . . . . 0.0 111.363 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 24' ' ' ILE . 35.2 tt0 -153.95 163.8 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.583 172.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.699 HD13 HG23 ' A' ' 70' ' ' VAL . 19.4 mm -77.15 144.08 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.433 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 26.2 mmt -119.3 169.19 10.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -82.74 153.97 25.02 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -55.04 -54.41 43.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.2 m -69.06 -42.13 76.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.959 0.409 . . . . 0.0 111.134 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -72.33 -37.63 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.643 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.576 ' HA ' HG22 ' A' ' 33' ' ' VAL . 45.7 t80 -62.55 -42.07 99.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 110.088 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.83 -30.65 71.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.847 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -87.2 -30.94 20.61 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.727 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 30' ' ' PHE . 31.4 m -82.3 -21.23 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.578 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -61.95 -14.7 37.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 111.094 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -64.45 -34.19 77.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.394 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 18.3 mt-10 -105.24 23.9 12.93 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.114 0.483 . . . . 0.0 111.002 175.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.626 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 27.9 m-85 -131.54 165.03 24.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 39' ' ' LYS . 4.8 m -140.17 169.06 18.39 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.4 ' H ' HG22 ' A' ' 38' ' ' THR . 19.9 ttpt -112.43 135.57 52.97 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.995 -0.441 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' A' ' 65' ' ' LYS . 14.7 pt -107.21 -13.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.74 169.08 16.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.236 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 m -105.75 156.07 18.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 pt -132.66 166.0 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.653 0.263 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -150.43 161.4 42.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.442 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 3.1 m -77.68 144.55 37.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.096 0.474 . . . . 0.0 111.166 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 m -96.01 101.5 13.18 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.617 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.68 134.56 8.51 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.062 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -82.63 89.73 6.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.178 0.513 . . . . 0.0 109.769 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtm -117.8 -169.49 1.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.895 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.544 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 8.9 m -66.52 160.51 66.44 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.628 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.546 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 11.6 Cg_endo -54.29 -54.1 5.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.995 2.463 . . . . 0.0 112.918 -175.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.15 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.0 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.45 -48.51 64.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.14 92.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -65.42 -43.94 88.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.52 -33.49 71.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.638 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.7 t70 -70.63 -42.29 71.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.33 0.586 . . . . 0.0 109.999 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.57 -44.71 77.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.084 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.28 -47.93 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.164 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -66.56 -45.4 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.896 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -65.83 -41.02 92.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.386 -175.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.45 99.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.54 -33.99 75.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.18 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.34 -28.92 67.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.1 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' HD12 ' A' ' 40' ' ' ILE . 15.3 tppt? -79.96 -25.59 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.815 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.42 39.95 4.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.754 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -87.28 160.56 18.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.615 0.245 . . . . 0.0 110.537 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.524 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 9.4 m-20 -113.92 -24.38 9.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.098 0.475 . . . . 0.0 110.819 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 37' ' ' TYR . 77.8 t -127.17 139.77 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.699 HG23 HD13 ' A' ' 24' ' ' ILE . 21.2 m -125.26 142.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.9 t -137.97 123.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.616 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.43 93.39 1.95 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -78.78 -26.47 44.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.776 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.581 ' HB2' ' HB ' ' A' ' 84' ' ' THR . 65.8 m -148.56 176.79 10.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.417 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.503 ' O ' ' HG3' ' A' ' 76' ' ' GLN . . . 156.34 -120.87 1.03 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -174.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' GLY . 26.5 mt-30 -161.58 -92.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.691 0.396 . . . . 0.0 110.295 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.1 p -117.4 -83.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 51' ' ' PRO . 33.5 tt0 -164.67 -61.23 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.066 175.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.506 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 8.3 t-20 -58.92 -32.47 69.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.526 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -128.57 128.67 44.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 170.605 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 51' ' ' PRO . 17.1 pt -151.33 128.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.123 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -99.95 82.28 2.55 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 161.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.74 138.69 22.62 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.543 -0.837 . . . . 0.0 114.246 -166.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.581 ' HB ' ' HB2' ' A' ' 74' ' ' SER . 2.5 m -123.95 141.88 51.65 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.21 40.81 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.509 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -110.66 116.08 30.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.579 HD12 ' HB2' ' A' ' 67' ' ' ALA . 33.1 pt -108.28 152.84 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 121.626 0.727 . . . . 0.0 112.462 -168.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.477 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 31.5 m-85 -131.01 153.72 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.772 -175.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 57.6 tptt -125.64 138.51 53.91 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.645 -1.162 . . . . 0.0 108.908 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -69.12 156.25 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.305 0.574 . . . . 0.0 111.028 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.52 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 93.5 mttt -93.19 -179.79 5.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.318 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.0 pt? -111.73 14.33 21.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.142 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' OE2' ' HD3' ' A' ' 91' ' ' LYS . 35.5 mt-10 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.288 0 CA-C-O 121.204 0.526 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -128.44 162.74 26.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.357 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.616 HD13 HG23 ' A' ' 70' ' ' VAL . 24.7 mm -86.22 123.3 39.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -101.91 138.41 38.91 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.921 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -60.15 146.74 42.2 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 82.6 tttt -61.86 -34.89 76.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.806 0.276 . . . . 0.0 111.387 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.624 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 19.3 m -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.039 0.447 . . . . 0.0 110.423 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.66 -31.02 61.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.9 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.559 ' HA ' HG22 ' A' ' 33' ' ' VAL . 71.1 t80 -61.69 -44.65 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.964 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.45 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.101 0.477 . . . . 0.0 110.93 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.1 mptt -75.56 -44.12 44.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.5 m -80.33 -7.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -18.16 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.359 0.599 . . . . 0.0 109.869 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -86.64 -27.23 23.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.197 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -106.37 6.22 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.112 -172.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 17.4 m-85 -133.83 172.9 12.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 111.227 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -144.58 134.08 23.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.565 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 87' ' ' ILE . 37.2 ttpt -85.89 121.45 28.55 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.649 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 7.1 pt -90.87 -7.5 10.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.022 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.56 174.42 15.01 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.485 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -105.19 146.53 29.12 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 pt -116.02 163.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 t -152.4 175.54 12.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.769 -175.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.558 HG21 ' HB1' ' A' ' 54' ' ' ALA . 11.2 t -155.48 -179.87 8.51 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.574 HG22 ' HG2' ' A' ' 48' ' ' GLU . 11.4 m -94.19 140.55 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.04 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.673 ' HA2' ' O ' ' A' ' 81' ' ' ILE . . . -73.24 -5.71 67.25 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 114.544 0.577 . . . . 0.0 114.544 -173.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HG2' HG22 ' A' ' 46' ' ' THR . 9.2 pt-20 -96.21 37.78 1.23 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.171 0.51 . . . . 0.0 111.204 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.3 mtt -127.35 163.24 24.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.269 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.6 m -71.84 152.9 93.21 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.732 ' HB3' ' HA ' ' A' ' 78' ' ' GLU . 13.2 Cg_endo -56.0 -55.66 2.75 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.012 2.474 . . . . 0.0 113.072 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 9.2 tt -69.27 -35.3 75.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.37 -48.27 80.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -66.34 -30.97 71.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 19.6 mtm180 -68.84 -48.22 64.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 17.6 mm-40 -62.01 -29.92 70.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 110.296 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 10.1 t70 -65.33 -45.43 84.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.425 0.631 . . . . 0.0 109.634 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.48 -46.74 78.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.72 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -65.03 -40.93 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.734 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.6 pttp -70.83 -33.08 70.3 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.267 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttpt -70.4 -42.11 72.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.0 110.758 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.67 73.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.202 171.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.0 -38.13 72.66 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.369 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 40.4 mt-10 -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.153 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 54.5 tttp -84.03 -29.2 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.085 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 96.64 43.01 3.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.365 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -82.63 159.87 22.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 111.271 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.502 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 18.1 m-20 -111.23 -29.03 8.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 96.6 t -126.56 141.1 46.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 87' ' ' ILE . 16.0 m -124.68 142.38 41.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.76 102.09 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 85' ' ' ALA . 97.2 mt -77.84 90.29 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.205 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.29 -15.29 57.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.222 0.534 . . . . 0.0 111.071 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.6 m -144.53 178.61 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 -18.1 30.55 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.553 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -94.66 32.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.279 0.539 . . . . 0.0 112.017 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.664 ' HB ' HG22 ' A' ' 81' ' ' ILE . 7.1 m -91.43 -20.42 21.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.211 0.529 . . . . 0.0 110.031 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.732 ' HA ' ' HB3' ' A' ' 51' ' ' PRO . 39.3 tt0 73.56 -66.73 0.29 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.999 173.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -54.75 -64.3 0.88 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 110.55 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -138.84 146.58 41.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 166.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.673 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 23.4 pt -143.21 124.49 11.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-O 121.181 0.515 . . . . 0.0 112.161 -171.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -85.74 72.24 10.58 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 166.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.36 134.41 50.91 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.823 -1.08 . . . . 0.0 113.073 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.48 139.24 33.27 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -149.03 134.76 18.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.379 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.15 118.08 36.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.035 0.445 . . . . 0.0 109.813 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.697 HG22 HG12 ' A' ' 70' ' ' VAL . 29.7 pt -105.76 152.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 0.0 111.568 -173.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 58.1 m-85 -130.87 148.73 52.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.197 -176.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.502 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 50.7 tptt -120.05 141.69 49.52 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.977 -173.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -69.23 137.35 53.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.33 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -175.16 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.298 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -11.11 59.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.067 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.307 178.223 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.312 0 CA-C-O 120.737 0.304 . . . . 0.0 111.577 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -143.88 167.12 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.685 HD13 HG23 ' A' ' 70' ' ' VAL . 21.8 mm -88.6 132.24 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.443 ' HG2' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -105.51 153.47 21.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.352 175.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -72.62 159.71 33.43 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.583 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.78 -55.03 25.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 13.6 t -74.48 -35.83 63.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.868 -176.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.29 -38.68 85.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HA ' HG22 ' A' ' 33' ' ' VAL . 41.8 t80 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.83 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -32.59 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.5 mptt -74.62 -44.64 49.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.036 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.1 m -77.07 -19.17 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.949 -177.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.82 57.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.998 0.428 . . . . 0.0 110.891 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 t -83.67 -17.09 42.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.823 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.86 9.9 17.64 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.887 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE2' HG23 ' A' ' 69' ' ' VAL . 10.3 m-85 -127.88 178.34 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.18 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -137.25 141.49 42.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -85.51 122.4 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.002 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.633 HD13 ' HG2' ' A' ' 89' ' ' LYS . 24.0 pt -108.86 2.72 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.653 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.77 170.14 13.11 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.353 -0.927 . . . . 0.0 112.449 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -105.7 155.01 19.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.801 0.334 . . . . 0.0 110.16 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 85' ' ' ALA . 8.9 pt -119.28 163.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -148.46 165.39 31.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 111.312 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.577 HG23 HD21 ' A' ' 58' ' ' LEU . 1.6 p -146.09 121.08 10.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.241 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -156.24 119.36 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.93 -116.35 0.6 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -155.78 90.36 1.22 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.487 0.661 . . . . 0.0 110.93 175.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 49' ' ' MET . 1.4 mmt -143.56 -172.12 3.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.677 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.562 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 48.8 m -90.23 144.36 30.97 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 172.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 -41.11 71.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.177 2.585 . . . . 0.0 113.197 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.56 -35.05 76.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.339 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 50' ' ' SER . 70.9 m-20 -62.61 -45.79 91.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 109.77 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.571 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -60.08 -45.14 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.81 -48.91 77.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.02 -41.59 75.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.606 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.609 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.0 t70 -69.82 -37.17 76.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 45' ' ' THR . 57.8 mt -67.11 -48.8 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.228 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.89 -42.03 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.15 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 52.5 pttt -69.55 -39.43 77.43 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -70.86 -39.57 72.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.412 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.63 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.855 0.36 . . . . 0.0 110.347 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.72 -33.24 72.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.66 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 32.6 mt-10 -69.64 -37.88 76.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.101 175.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -68.46 -32.52 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.38 6.86 12.89 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.275 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . . . -58.78 153.75 16.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -110.76 -27.23 8.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.008 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 86.3 t -125.94 138.27 55.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.685 HG23 HD13 ' A' ' 24' ' ' ILE . 25.9 m -123.97 142.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.96 175.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.24 104.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.098 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.46 88.02 5.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.029 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 p -75.08 -39.0 61.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.663 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.8 m 59.27 -172.15 0.11 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.676 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.91 -141.85 4.95 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -125.35 46.04 2.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.233 0.54 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 91.5 m -154.75 102.6 2.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.2 -21.87 20.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 173.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -53.23 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.072 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -118.61 10.72 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.438 0.637 . . . . 0.0 110.201 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HB2' ' A' ' 54' ' ' ALA . 16.2 mt 69.57 152.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.508 -1.224 . . . . 0.0 112.127 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -175.9 45.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.99 146.33 16.06 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.761 -172.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.2 p -116.52 153.26 32.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.024 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -136.85 132.39 34.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.64 126.48 53.01 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.661 HG22 HG12 ' A' ' 70' ' ' VAL . 22.1 pt -115.71 153.91 17.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.662 0.744 . . . . 0.0 112.447 -170.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 32.8 m-85 -133.23 155.14 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.816 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 40' ' ' ILE . 22.6 mmmt -111.86 153.56 26.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.425 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.13 159.07 24.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -105.23 -177.04 3.25 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.083 -176.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -100.2 -5.38 27.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.499 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.464 0.234 0 CA-C-O 121.114 0.483 . . . . 0.0 111.308 179.469 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.681 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 C--O 1.234 0.251 0 CA-C-O 120.422 0.153 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.22 167.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.191 0.52 . . . . 0.0 111.495 -175.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 70' ' ' VAL . 18.3 mm -84.36 147.24 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.9 mmt -121.48 143.27 49.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.368 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -71.69 161.99 30.14 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 12.4 mptt -63.69 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.563 -173.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.613 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 8.9 t -71.73 -43.07 66.48 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.469 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.62 -39.55 67.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.386 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HA ' HG22 ' A' ' 33' ' ' VAL . 67.9 t80 -57.74 -48.27 80.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.454 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.96 -33.01 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.174 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.3 mptt -74.46 -42.41 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 30' ' ' PHE . 29.0 m -79.59 -20.55 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.796 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -21.04 63.19 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -62.73 -42.92 99.9 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.89 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -122.84 32.75 5.62 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.407 0.622 . . . . 0.0 111.661 -175.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.423 ' HD2' ' HB3' ' A' ' 88' ' ' TYR . 2.2 m-85 -113.78 179.93 3.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -128.27 144.76 51.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 110.732 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -94.43 122.72 37.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.627 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.525 HG13 HG13 ' A' ' 87' ' ' ILE . 15.0 pt -116.61 7.87 7.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.01 0.433 . . . . 0.0 111.527 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.26 171.6 19.3 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.507 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.4 m -105.72 153.99 21.09 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.22 164.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 84' ' ' THR . 19.0 t -159.18 -179.58 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.981 0.42 . . . . 0.0 110.887 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -153.82 157.77 39.85 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -155.51 130.84 9.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.113 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.501 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . 141.64 -111.66 0.71 Allowed Glycine 0 N--CA 1.441 -1.005 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.894 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.72 99.2 3.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.758 0.789 . . . . 0.0 110.455 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.3 mmm -138.86 162.23 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.358 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.4 m -89.77 148.53 40.12 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -59.74 -41.07 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.127 1.885 . . . . 0.0 113.626 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.95 -37.5 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.175 0.512 . . . . 0.0 110.113 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.9 -36.17 83.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.352 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.57 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -59.44 -51.1 71.32 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 59' ' ' ILE . 39.9 mt-10 -67.29 -26.56 66.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.122 -177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 13.4 t70 -65.75 -48.25 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.9 -44.23 96.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.183 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 56' ' ' GLU . 50.8 mt -61.45 -48.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.14 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.58 -43.19 97.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -63.07 -41.46 99.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.171 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.3 92.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.393 . . . . 0.0 110.869 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.62 -32.77 74.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.353 0.597 . . . . 0.0 110.612 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -78.2 -20.81 51.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.695 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -92.81 -28.04 16.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.08 50.87 0.86 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.185 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -95.19 168.85 10.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.14 0.495 . . . . 0.0 111.489 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.681 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 17.2 t70 -126.36 -39.37 2.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.476 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -125.44 137.54 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.321 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.738 HG12 HG22 ' A' ' 87' ' ' ILE . 17.6 m -119.74 143.39 31.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.194 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.29 115.28 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.037 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.72 83.45 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -73.9 -42.89 60.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p 54.57 -166.75 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 113.158 174.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.76 139.16 7.8 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.94 72.67 3.52 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.883 0.849 . . . . 0.0 111.14 -174.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 m -150.49 90.89 1.69 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.101 171.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.12 -21.36 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.031 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.99 -66.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.313 0.577 . . . . 0.0 109.829 174.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 17.5 pttp -131.01 113.29 13.79 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 83' ' ' GLY . 1.6 mt -75.26 146.68 9.04 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.117 -165.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -143.8 25.5 1.62 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.125 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.482 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -74.24 160.99 53.57 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.924 -1.034 . . . . 0.0 113.469 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 44' ' ' SER . 23.8 p -123.13 155.32 37.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.52 133.44 45.08 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.91 127.06 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.738 HG22 HG12 ' A' ' 70' ' ' VAL . 17.5 pt -116.27 152.8 17.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.613 0.72 . . . . 0.0 112.502 -171.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HB3' ' HD2' ' A' ' 37' ' ' TYR . 32.2 m-85 -130.75 153.72 48.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.936 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -118.57 130.93 56.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -69.9 134.81 48.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.324 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.657 ' HB2' ' HG2' ' A' ' 93' ' ' GLU . 7.0 mtpm? -84.68 -169.05 2.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.281 0.562 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.1 pt? -111.8 25.82 11.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.655 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.657 ' HG2' ' HB2' ' A' ' 91' ' ' LYS . 19.2 mm-40 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.471 -177.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.874 0.369 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -109.32 153.34 24.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.345 -174.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.533 HD13 HG23 ' A' ' 70' ' ' VAL . 12.7 mm -94.56 134.0 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.6 173.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.81 159.32 24.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 94.2 mttt -76.58 140.79 41.19 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.85 -33.15 66.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -50.1 54.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.573 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.5 p-10 -77.49 -31.97 53.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.196 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.532 ' HZ ' ' CE1' ' A' ' 88' ' ' TYR . 48.0 t80 -59.05 -44.75 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.245 177.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.59 -33.87 76.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.047 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.0 -37.67 54.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.028 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.6 m -88.06 -10.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . . . -64.08 -21.5 66.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.434 0.635 . . . . 0.0 109.625 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -57.03 -28.46 62.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.052 173.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 12.6 mt-10 -105.42 19.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.04 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' HG23 ' A' ' 33' ' ' VAL . 21.7 m-30 -124.99 167.08 15.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.794 -178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.9 m -144.2 116.38 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.828 0.347 . . . . 0.0 110.291 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.05 137.6 56.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 pt -106.36 -23.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.12 172.34 25.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.973 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -105.85 153.32 22.1 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -117.95 164.42 14.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 8.8 t -148.58 165.37 31.46 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.687 -173.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.543 HG23 HD21 ' A' ' 58' ' ' LEU . 1.2 p -140.71 114.87 9.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.235 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 m -150.95 119.18 6.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -179.55 -111.21 0.3 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.732 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 6.7 pt-20 -164.94 58.31 0.13 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.034 0.921 . . . . 0.0 110.051 174.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 78.7 mmm -111.41 -166.95 1.12 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.313 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 p -99.77 143.0 25.64 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 174.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 52' ' ' LEU . 17.2 Cg_endo -58.65 -53.12 4.24 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.046 2.497 . . . . 0.0 113.903 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.676 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.5 mp -63.12 -39.98 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.975 -175.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -46.75 76.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 81' ' ' ILE . . . -72.3 -26.57 62.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.676 HH21 ' HG ' ' A' ' 52' ' ' LEU . 15.8 mtm180 -67.6 -38.91 84.65 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.4 mt-10 -60.46 -36.87 79.29 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.339 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 14.2 t70 -64.63 -41.9 95.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.543 HD21 HG23 ' A' ' 45' ' ' THR . 77.4 mt -61.53 -47.94 83.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.612 174.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 56' ' ' GLU . 39.0 mt -59.74 -42.3 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.434 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.93 -48.61 65.46 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.705 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 8.9 ttpt -59.91 -41.98 92.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.53 -176.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.39 91.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.904 0.383 . . . . 0.0 111.19 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.24 -40.43 81.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.233 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.1 -33.94 77.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.867 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -36.82 74.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.59 16.56 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.381 174.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.511 ' HA ' ' CD ' ' A' ' 89' ' ' LYS . . . -63.69 143.11 58.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.201 0.5 . . . . 0.0 111.242 -177.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.37 -35.09 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.334 0.588 . . . . 0.0 110.62 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.492 HG21 ' CE2' ' A' ' 37' ' ' TYR . 58.9 t -124.68 135.92 62.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.802 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.575 HG12 HG22 ' A' ' 87' ' ' ILE . 23.9 m -126.03 143.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.609 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.09 108.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -84.39 98.41 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.14 -6.94 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 174.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.687 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 21.4 p -53.97 103.68 0.09 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.524 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.85 -143.35 3.67 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 68.08 -61.15 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.118 0.967 . . . . 0.0 112.109 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.63 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 19.6 m -125.89 91.75 3.45 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -172.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.35 -23.43 40.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.785 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . 0.439 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -55.55 -70.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 48' ' ' GLU . 18.7 pttm -106.24 6.18 30.5 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.235 0.54 . . . . 0.0 110.05 177.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.63 ' HA ' ' O ' ' A' ' 77' ' ' THR . 10.1 mt 69.62 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.82 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . 0.404 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 23.9 t-80 -161.84 23.42 0.12 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.641 -176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.687 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -101.7 163.91 17.52 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.632 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.581 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 36.5 p -121.24 -176.94 3.4 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -153.41 132.72 12.76 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.18 120.39 42.38 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -174.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.575 HG22 HG12 ' A' ' 70' ' ' VAL . 26.1 pt -115.98 152.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.116 -171.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.532 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 62.8 m-85 -138.0 148.82 45.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.527 -174.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.511 ' CD ' ' HA ' ' A' ' 67' ' ' ALA . 28.0 mmmt -105.65 169.66 8.35 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -83.8 150.12 25.98 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.228 0.537 . . . . 0.0 110.903 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 41.5 mttp -75.51 -174.73 2.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.405 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 1.4 pp -92.22 25.1 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.522 0.677 . . . . 0.0 109.309 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.274 -179.033 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . . . . . . 0 N--CA 1.464 0.255 0 CA-C-O 121.213 0.53 . . . . 0.0 112.203 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.73 153.69 39.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.261 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.697 HD13 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -87.65 138.0 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.911 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.0 mmt -125.03 160.54 28.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -74.73 160.66 30.47 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.058 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -57.14 -53.1 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -69.78 -37.51 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 111.158 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.09 -37.89 72.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.505 ' HA ' HG22 ' A' ' 33' ' ' VAL . 60.2 t80 -61.41 -41.94 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.597 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.93 -31.79 72.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 110.635 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.64 -41.26 46.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.861 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.8 m -79.01 -25.07 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.391 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.58 62.09 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.949 0.404 . . . . 0.0 111.426 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -63.65 -33.13 74.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -107.66 28.62 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.713 -178.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.572 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 11.0 m-85 -135.31 169.99 16.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.19 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -129.17 150.35 50.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -103.64 111.72 24.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.525 0.679 . . . . 0.0 110.326 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.559 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 5.9 pt -82.4 -7.73 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.188 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.96 169.46 12.52 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.032 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -94.69 151.19 19.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.064 0.459 . . . . 0.0 109.943 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.541 HG13 HD22 ' A' ' 58' ' ' LEU . 16.1 pt -121.28 164.19 18.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.905 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t -150.37 166.98 28.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.031 -176.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -125.9 109.57 12.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.218 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -105.73 116.33 31.75 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.42 0.628 . . . . 0.0 110.759 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.84 -126.38 1.54 Allowed Glycine 0 N--CA 1.436 -1.355 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.49 95.79 0.93 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.542 0.686 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.3 mmt -136.02 178.06 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.696 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -79.4 151.64 75.13 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 4.6 Cg_endo -50.09 -42.89 44.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.913 2.408 . . . . 0.0 113.566 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.68 -42.25 82.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.26 -37.98 84.37 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.047 0.451 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.56 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.15 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.514 ' HD2' HD13 ' A' ' 72' ' ' LEU . 35.9 mtm180 -65.25 -45.88 82.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.125 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 59' ' ' ILE . 33.0 mt-10 -64.88 -33.27 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.273 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 8.4 t70 -70.19 -31.76 69.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.308 0.575 . . . . 0.0 109.959 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . 0.541 HD22 HG13 ' A' ' 43' ' ' ILE . 81.3 mt -72.52 -41.9 65.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.277 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 56' ' ' GLU . 48.8 mt -59.91 -41.57 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 33.9 mtpt -56.11 -49.15 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.726 174.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -69.34 -38.76 78.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.351 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.53 89.52 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.216 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.24 -38.67 85.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.079 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.28 -30.59 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.734 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.559 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 33.0 tttp -99.45 -5.71 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.11 42.94 41.86 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.088 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -75.12 148.07 40.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.7 t70 -103.07 -34.23 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.487 0.66 . . . . 0.0 110.051 -176.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' CE2' ' A' ' 37' ' ' TYR . 56.3 t -125.16 139.2 51.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.401 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 24' ' ' ILE . 24.1 m -129.65 144.09 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.9 t -123.1 112.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 55' ' ' ARG . 96.5 mt -86.88 87.14 7.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.43 0.633 . . . . 0.0 110.873 -176.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -79.0 -11.36 60.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.973 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 p -51.01 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.07 69.84 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.527 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -61.71 -40.23 94.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.1 m -151.06 -92.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.768 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -153.38 -56.74 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.809 0.338 . . . . 0.0 110.146 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.05 -49.83 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -81.24 45.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.615 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 pt -98.62 149.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.9 0.857 . . . . 0.0 113.178 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -133.07 85.09 2.19 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 164.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.62 134.53 51.42 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-N 115.209 -0.905 . . . . 0.0 114.108 -166.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.8 p -133.27 146.92 51.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.016 -0.592 . . . . 0.0 109.883 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.198 -0.314 . . . . 0.0 110.377 178.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.52 112.52 25.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.648 HG22 HG12 ' A' ' 70' ' ' VAL . 26.2 pt -116.39 152.41 18.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 121.578 0.704 . . . . 0.0 112.4 -170.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.45 ' HD2' ' HB3' ' A' ' 37' ' ' TYR . 5.3 m-85 -130.93 151.59 51.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.24 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -120.88 147.44 45.41 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.53 -1.213 . . . . 0.0 108.317 -171.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -64.8 149.15 49.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.286 0.565 . . . . 0.0 111.083 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 88.4 mttt -90.73 178.85 5.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.254 176.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -94.54 13.2 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.583 0.706 . . . . 0.0 109.964 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.656 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.007 -179.066 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.234 0.263 0 CA-C-O 120.727 0.299 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.35 155.75 29.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 HG23 ' A' ' 70' ' ' VAL . 32.6 mm -95.34 127.44 47.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.496 ' SD ' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -110.52 149.73 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.939 0.399 . . . . 0.0 111.3 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 42.3 mtmt -63.86 155.22 31.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.79 -50.08 74.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.49 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.0 m -69.09 -41.56 77.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.476 0.655 . . . . 0.0 110.606 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' HE3' ' A' ' 26' ' ' LYS . 22.9 t70 -66.0 -41.71 90.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.583 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' HA ' HG22 ' A' ' 33' ' ' VAL . 54.2 t80 -61.36 -46.43 90.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.26 68.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.184 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 28' ' ' THR . 11.1 mptt -73.97 -45.02 52.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.018 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.8 m -77.55 -16.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.045 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.45 -20.81 63.54 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.181 0.515 . . . . 0.0 110.492 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -72.11 -31.56 66.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.533 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -105.39 18.37 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.521 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.51 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 7.7 m-85 -131.39 165.19 24.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.269 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.6 m -126.7 125.19 41.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HZ3' ' CG ' ' A' ' 86' ' ' ASP . 63.4 tttp -75.11 109.22 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.317 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -80.73 -11.82 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.11 178.62 20.83 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.779 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -106.59 154.15 21.31 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 19.5 pt -120.61 163.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -153.19 172.82 16.37 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.57 HG21 ' HB1' ' A' ' 54' ' ' ALA . 73.7 p -117.63 115.91 26.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.022 0.439 . . . . 0.0 111.885 -178.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 m -119.03 111.23 18.05 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.28 -14.63 0.26 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.362 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 58.83 77.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.338 0.59 . . . . 0.0 111.335 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.13 176.75 4.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -64.46 143.15 98.52 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.81 -46.47 27.37 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.278 2.652 . . . . 0.0 113.836 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 95.1 mt -71.02 -39.31 72.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.3 . . . . 0.0 110.68 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.88 -41.28 78.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.551 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.69 -33.93 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.008 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.85 -44.45 66.39 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.132 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.599 ' HA ' HD12 ' A' ' 59' ' ' ILE . 26.3 mm-40 -58.73 -37.64 76.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.999 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.629 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 26.6 t70 -72.21 -34.75 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.563 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.67 -41.28 99.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.189 0.518 . . . . 0.0 109.878 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 56' ' ' GLU . 20.5 mt -66.1 -40.43 87.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.069 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 30.0 mtpt -59.07 -57.93 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.763 174.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.1 -36.78 84.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.921 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.66 -43.85 97.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.935 0.398 . . . . 0.0 110.822 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -42.84 99.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.706 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.65 -34.07 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.512 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.92 44.68 3.54 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.871 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.26 143.95 25.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.92 -42.2 10.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.496 HG22 ' SD ' ' A' ' 25' ' ' MET . 98.4 t -125.54 139.48 51.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.831 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.609 HG12 HG22 ' A' ' 87' ' ' ILE . 31.2 m -125.83 143.27 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.77 122.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.442 . . . . 0.0 110.232 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.52 89.73 7.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -71.6 -47.66 53.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.813 174.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' A' ' 84' ' ' THR . 29.9 m 55.31 -159.35 0.2 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.628 170.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.94 119.38 3.29 Favored Glycine 0 N--CA 1.432 -1.615 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.813 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -59.34 -23.66 62.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.253 0.549 . . . . 0.0 110.804 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.7 p -84.91 69.79 10.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.294 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.704 ' HA ' HG23 ' A' ' 81' ' ' ILE . 31.3 tt0 -45.4 -41.36 9.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.623 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.25 -26.12 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -137.88 40.78 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.934 0.397 . . . . 0.0 110.999 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.704 HG23 ' HA ' ' A' ' 78' ' ' GLU . 12.4 pt -60.78 127.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -86.64 -9.22 56.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.225 167.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.534 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . 66.22 135.44 0.03 OUTLIER Glycine 0 C--O 1.226 -0.388 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.165 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.544 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -154.25 151.54 29.27 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 122.555 -0.379 . . . . 0.0 110.723 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 141.81 17.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 171.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.55 ' CG ' ' HZ3' ' A' ' 39' ' ' LYS . 1.8 t70 -114.29 120.04 39.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.609 HG22 HG12 ' A' ' 70' ' ' VAL . 24.5 pt -118.12 153.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.8 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 37' ' ' TYR . 19.5 m-85 -135.42 149.97 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.2 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -111.26 146.58 36.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.25 133.73 50.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.773 0.321 . . . . 0.0 110.868 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.9 mttt -77.74 -174.4 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.821 0.819 . . . . 0.0 111.622 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 3.1 pp -85.7 -8.76 57.99 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.216 167.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.0 mt-10 . . . . . 0 C--O 1.226 -0.164 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.841 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . . . . . . 0 C--O 1.235 0.296 0 CA-C-O 120.992 0.425 . . . . 0.0 112.106 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -141.37 167.11 22.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.78 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.689 HD13 HG23 ' A' ' 70' ' ' VAL . 31.4 mm -77.89 142.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.69 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -120.9 159.66 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.83 154.27 42.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.415 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -67.64 -35.28 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.199 0.523 . . . . 0.0 110.996 -174.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 p -70.65 -46.02 64.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.025 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -66.76 -30.67 70.94 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.084 175.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' HG22 ' A' ' 33' ' ' VAL . 65.9 t80 -57.6 -44.3 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.8 -31.13 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 110.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -83.73 -33.24 25.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.618 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 26.4 m -82.67 -10.88 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 122.372 -0.205 . . . . 0.0 110.528 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -14.38 17.77 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 121.368 0.604 . . . . 0.0 110.294 172.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -90.15 -32.02 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.924 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.25 -4.07 27.81 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 15.6 m-85 -120.11 176.97 5.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.153 0.502 . . . . 0.0 111.484 -174.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.4 m -141.81 162.09 36.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.338 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -108.78 109.81 21.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 pt -85.01 -3.21 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.459 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.07 169.6 11.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.951 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -106.45 150.67 25.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.444 HG13 ' HB3' ' A' ' 85' ' ' ALA . 24.0 pt -121.95 165.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.585 ' HB3' HG22 ' A' ' 84' ' ' THR . 1.4 p -147.31 172.16 14.31 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.804 0.335 . . . . 0.0 111.533 -177.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -96.55 129.68 43.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -145.5 135.31 23.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.372 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.68 -13.3 17.85 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.838 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.38 79.56 0.19 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.314 0.646 . . . . 0.0 111.966 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.8 mmt -102.4 -164.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.532 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -83.39 150.35 60.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.86 -52.59 7.92 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.491 2.794 . . . . 0.0 113.985 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.29 -26.52 58.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.63 0.252 . . . . 0.0 111.232 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.06 -34.15 57.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.297 0.57 . . . . 0.0 110.057 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.2 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.916 175.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -63.11 -42.71 99.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.932 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 19.3 mm-40 -54.4 -42.66 70.7 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.662 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.4 t70 -63.27 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.429 . . . . 0.0 109.98 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.9 mt -66.32 -47.15 74.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.212 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.55 -43.84 96.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 33.5 mmtp -73.3 -40.25 64.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.848 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.691 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.5 ttpt -61.64 -39.23 90.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.2 85.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.67 -36.92 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.973 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 57.2 mm-40 -56.16 -40.77 74.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.667 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -87.47 -25.65 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.349 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.78 86.37 1.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.604 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.33 160.45 28.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -104.38 -36.03 7.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.493 0.663 . . . . 0.0 110.264 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.55 142.07 43.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.825 HG12 HG22 ' A' ' 87' ' ' ILE . 27.8 m -124.23 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.82 108.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -74.87 90.43 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.683 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -2.34 46.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.292 178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.5 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 60.0 m -60.28 104.51 0.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.732 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.96 -77.03 0.66 Allowed Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -80.35 68.02 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.849 0.833 . . . . 0.0 109.999 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.767 ' HA ' HG22 ' A' ' 81' ' ' ILE . 13.3 m -92.81 80.84 4.67 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.434 -177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.63 -48.82 0.07 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.538 171.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -116.91 -79.89 0.6 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.521 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -81.84 51.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.486 0.66 . . . . 0.0 110.761 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 77' ' ' THR . 28.9 pt -58.35 117.24 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.653 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -152.44 25.91 0.59 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -80.97 -174.01 48.21 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.204 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 44' ' ' SER . 41.1 p -125.08 177.19 6.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.049 0.452 . . . . 0.0 111.032 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.444 ' HB3' HG13 ' A' ' 43' ' ' ILE . . . -144.55 132.06 20.95 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 168.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -102.44 117.26 34.34 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.825 HG22 HG12 ' A' ' 70' ' ' VAL . 19.8 pt -107.67 151.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-O 121.224 0.535 . . . . 0.0 110.681 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' TYR . . . . . 0.42 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 93.5 m-85 -136.28 143.23 44.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.29 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -111.2 139.06 46.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.05 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -75.8 141.42 42.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -72.1 -172.4 0.87 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.161 0.505 . . . . 0.0 111.308 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.462 HD23 ' H ' ' A' ' 92' ' ' LEU . 0.4 OUTLIER -102.12 -7.61 22.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.459 -169.682 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 . . . . . 0 C--N 1.322 -0.591 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.138 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tmm? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 24.5 pttm -54.19 112.5 0.99 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.534 0.683 . . . . 0.0 111.254 -178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.9 m -67.48 133.47 49.56 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.338 -174.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.66 67.16 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.482 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -127.03 141.33 51.81 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.705 0.288 . . . . 0.0 110.401 176.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 10.0 ptpp? -127.4 143.11 51.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.601 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.5 m -123.7 105.63 15.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-O 121.367 0.604 . . . . 0.0 110.61 179.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 52.6 ttp -109.92 94.2 4.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.649 -177.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.1 pp -116.38 154.86 29.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.357 179.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -169.36 98.66 0.14 Allowed Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.554 -176.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -120.77 128.34 52.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.639 0.257 . . . . 0.0 110.35 178.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.425 HD12 ' N ' ' A' ' 13' ' ' ALA . 2.5 pp -142.7 -21.28 0.66 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.508 178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.425 ' N ' HD12 ' A' ' 12' ' ' LEU . . . -121.99 107.69 12.53 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.734 0.302 . . . . 0.0 110.655 179.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -157.76 106.14 2.05 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.328 179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.0 p -144.34 101.05 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.639 0.733 . . . . 0.0 110.317 174.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 41.0 t -116.58 89.1 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.522 -178.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -140.35 19.76 2.4 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.681 179.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -97.84 123.44 41.8 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.929 -178.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.41 128.5 71.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.315 0.578 . . . . 0.0 110.696 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -107.01 165.73 11.13 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.813 178.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.35 142.48 35.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 123.107 0.254 . . . . 0.0 111.241 -175.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.595 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -83.5 137.28 33.95 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.026 177.119 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -143.89 156.45 44.45 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.203 179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.754 HD13 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -73.33 124.78 31.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.071 177.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.409 ' HB3' ' HB2' ' A' ' 30' ' ' PHE . 10.3 tpt -104.98 147.68 27.54 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.909 -0.317 . . . . 0.0 110.178 178.469 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -56.92 133.26 54.53 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.874 -0.788 . . . . 0.0 108.874 171.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -53.65 -38.56 64.23 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 123.327 0.392 . . . . 0.0 111.639 -174.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 22.9 m -65.22 -52.38 55.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.777 0.323 . . . . 0.0 111.223 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.63 -39.41 88.28 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.135 178.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.409 ' HB2' ' HB3' ' A' ' 25' ' ' MET . 38.8 t80 -52.46 -48.45 65.86 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.635 176.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -64.81 -35.09 79.97 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.374 0.607 . . . . 0.0 110.482 -178.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.1 mptt -78.7 -31.33 46.51 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.885 -177.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.5 m -85.17 -19.68 8.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 C-N-CA 120.654 -0.418 . . . . 0.0 111.012 175.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.53 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.88 -21.87 63.72 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-O 121.154 0.502 . . . . 0.0 110.918 178.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.9 t -65.82 -24.1 66.83 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.191 176.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -119.94 32.09 6.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.438 0.637 . . . . 0.0 110.039 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.53 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.9 m-85 -135.08 161.51 35.11 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.463 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -121.0 152.66 38.31 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.557 -0.747 . . . . 0.0 109.945 -171.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.9 tppt? -97.86 119.9 37.29 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.093 -178.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.1 pt -101.14 -4.09 9.31 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-O 121.135 0.493 . . . . 0.0 110.349 174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 131.77 165.65 11.43 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.276 175.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 9.6 m -105.61 146.82 29.18 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 174.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.407 HD13 ' HB2' ' A' ' 62' ' ' ALA . 22.0 pt -112.63 164.82 8.07 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -178.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.638 ' HB3' HG22 ' A' ' 84' ' ' THR . 4.1 p -151.12 172.89 15.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.334 0.588 . . . . 0.0 112.406 -176.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.59 HG21 ' HB1' ' A' ' 54' ' ' ALA . 47.9 p -123.58 135.28 53.89 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.354 173.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.9 t -128.25 149.62 50.39 Favored 'General case' 0 C--N 1.323 -0.585 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.111 -177.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 95.37 -103.83 3.04 Favored Glycine 0 N--CA 1.439 -1.101 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.381 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -162.7 128.19 3.29 Favored 'General case' 0 C--N 1.308 -1.21 0 CA-C-N 114.353 -0.923 . . . . 0.0 109.659 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.566 ' HB2' HD11 ' A' ' 81' ' ' ILE . 84.4 mmm -141.87 169.66 17.17 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.444 -174.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.5 ' HB3' ' HB3' ' A' ' 53' ' ' ASP . 23.2 t -86.73 143.32 35.48 Favored Pre-proline 0 C--N 1.32 -0.697 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 170.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.683 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 12.1 Cg_endo -56.81 -55.93 2.33 Favored 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.288 1.992 . . . . 0.0 112.75 -172.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.7 pp -70.81 -32.4 69.45 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.74 0.305 . . . . 0.0 111.064 -177.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.5 ' HB3' ' HB3' ' A' ' 50' ' ' SER . 38.4 t70 -68.38 -39.7 81.66 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.022 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.59 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -69.07 -37.74 78.67 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.682 176.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.683 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 38.0 mtt180 -57.26 -57.62 11.81 Favored 'General case' 0 CA--C 1.513 -0.445 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 44.2 mt-10 -60.85 -35.89 77.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.368 -176.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.973 ' HA ' ' HE3' ' A' ' 60' ' ' LYS . 29.4 t70 -66.57 -42.81 86.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.823 0.344 . . . . 0.0 110.165 177.625 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.485 HD11 HG23 ' A' ' 45' ' ' THR . 24.1 mt -65.53 -46.07 81.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.038 178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 55.8 mt -60.41 -49.67 83.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.545 -176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.973 ' HE3' ' HA ' ' A' ' 57' ' ' ASP . 23.2 pttp -68.27 -37.49 80.75 Favored 'General case' 0 C--O 1.226 -0.165 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.947 -179.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.63 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.8 ttpt -63.67 -44.53 93.5 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.853 0.461 . . . . 0.0 111.219 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.513 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -62.64 -45.24 93.76 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.634 177.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -63.81 -37.85 88.92 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.226 177.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.64 -35.93 79.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.339 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -83.22 4.64 25.95 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.422 179.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.436 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 80.97 66.31 1.63 Allowed Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.841 -0.695 . . . . 0.0 113.177 173.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -113.46 158.41 20.72 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 120.805 0.336 . . . . 0.0 110.238 177.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.53 -40.48 5.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.506 0.67 . . . . 0.0 109.67 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 80.9 t -126.47 137.76 56.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.322 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.754 HG23 HD13 ' A' ' 24' ' ' ILE . 27.5 m -127.21 144.17 38.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 177.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 93.5 t -133.76 127.01 51.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.633 0.254 . . . . 0.0 110.503 179.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.35 88.57 5.55 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.144 -0.687 . . . . 0.0 109.144 175.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.3 m -70.66 -39.16 73.76 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.244 -0.889 . . . . 0.0 110.466 -177.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.448 ' HB2' ' H ' ' A' ' 84' ' ' THR . 44.1 m -153.85 -176.65 5.94 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.486 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . 96.34 4.96 59.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.55 -0.833 . . . . 0.0 111.943 -179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.39 29.66 3.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.14 0.495 . . . . 0.0 110.083 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.502 ' HB ' HG22 ' A' ' 81' ' ' ILE . 11.2 m -76.75 -81.12 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.346 178.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.536 ' H ' HG23 ' A' ' 81' ' ' ILE . 3.7 tm-20 -176.81 -93.3 0.0 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 176.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.456 ' HA ' ' O ' ' A' ' 49' ' ' MET . 2.7 t-20 -102.84 -48.7 4.0 Favored 'General case' 0 C--N 1.33 -0.25 0 O-C-N 121.908 -0.495 . . . . 0.0 111.068 -177.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -76.78 44.04 0.36 Allowed 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.295 0.569 . . . . 0.0 111.356 -179.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.566 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.0 pt -85.42 117.87 31.23 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-O 121.868 0.842 . . . . 0.0 113.106 -175.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -116.43 59.79 0.74 Allowed 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.377 -1.342 . . . . 0.0 107.377 169.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.486 ' HA3' ' CA ' ' A' ' 75' ' ' GLY . . . -95.45 174.59 32.31 Favored Glycine 0 N--CA 1.443 -0.883 0 CA-C-N 115.359 -0.837 . . . . 0.0 113.281 -167.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.638 HG22 ' HB3' ' A' ' 44' ' ' SER . 9.1 p -137.69 139.79 40.4 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.305 -0.448 . . . . 0.0 110.123 -178.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -122.51 133.13 54.59 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 175.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.48 ' OD2' ' HE1' ' A' ' 88' ' ' TYR . 33.1 t70 -106.22 122.14 45.62 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 -172.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.513 HG21 ' HB1' ' A' ' 62' ' ' ALA . 26.0 pt -116.47 153.77 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-O 121.162 0.506 . . . . 0.0 111.936 -171.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.48 ' HE1' ' OD2' ' A' ' 86' ' ' ASP . 20.3 m-85 -133.72 149.64 51.49 Favored 'General case' 0 CA--C 1.514 -0.418 0 CA-C-O 121.563 0.696 . . . . 0.0 111.032 -178.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 66' ' ' GLY . 54.2 tptt -113.56 141.49 47.11 Favored 'General case' 0 C--N 1.314 -0.978 0 CA-C-N 114.77 -1.104 . . . . 0.0 109.253 178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 91' ' ' LYS . 3.9 ttmp? -67.36 139.63 57.2 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.677 0.275 . . . . 0.0 110.981 -177.73 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 98.6 mttt -81.82 179.66 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.167 174.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.494 ' HB2' ' OE2' ' A' ' 93' ' ' GLU . 74.3 mt -90.65 -8.95 48.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.142 0.496 . . . . 0.0 110.559 -177.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.494 ' OE2' ' HB2' ' A' ' 92' ' ' LEU . 2.4 mp0 -123.82 160.09 28.13 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.808 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -160.19 174.89 13.57 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.349 174.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 46.1 m80 -59.01 117.0 4.19 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.244 177.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 79.8 m-70 54.54 -159.37 0.17 Allowed 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.934 0.771 . . . . 0.0 111.774 174.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 14.9 p80 -133.03 81.34 1.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.541 0.686 . . . . 0.0 109.806 174.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -160.54 151.91 19.35 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.814 -178.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.703 -0.665 . . . . 0.0 109.808 175.686 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.485 1.281 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' H ' ' HG3' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -86.5 66.88 9.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.726 0.774 . . . . 0.0 111.092 178.713 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 20.0 m -76.69 103.19 6.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.476 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 122.66 91.31 1.04 Allowed Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.472 -178.552 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.5 t80 -143.71 114.76 7.84 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 -176.559 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.55 116.88 18.47 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.541 0.686 . . . . 0.0 110.1 178.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 6.1 m -88.55 101.56 11.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.395 0.616 . . . . 0.0 110.952 -179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.0 ttm -140.28 125.67 18.91 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.085 -178.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.457 ' H ' ' HG ' ' A' ' 9' ' ' LEU . 1.6 pp -60.29 153.26 22.95 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.366 0.603 . . . . 0.0 111.782 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 122.29 16.71 3.81 Favored Glycine 0 N--CA 1.448 -0.529 0 CA-C-N 115.599 -0.728 . . . . 0.0 111.933 179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.73 75.96 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.419 0.628 . . . . 0.0 111.371 -179.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.0 mt -138.59 103.04 4.75 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.451 -0.795 . . . . 0.0 109.9 176.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -168.05 116.59 0.75 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.891 179.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 72.8 t80 -128.05 125.76 39.94 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.989 0.423 . . . . 0.0 110.911 -177.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -148.04 108.18 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.319 0.581 . . . . 0.0 110.061 177.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -105.13 134.4 46.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.149 0.5 . . . . 0.0 110.977 -177.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 19.4 p -120.17 141.79 49.56 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.98 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -160.78 147.66 15.37 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 176.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -150.59 130.02 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 120.825 0.345 . . . . 0.0 110.694 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -139.76 80.83 1.79 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.101 -0.499 . . . . 0.0 109.669 176.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.11 61.58 0.15 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.313 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -62.24 118.84 7.95 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.091 -178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -128.8 152.44 48.47 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.241 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.602 HD13 HG23 ' A' ' 70' ' ' VAL . 25.7 mm -84.8 129.64 37.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 110.043 -0.355 . . . . 0.0 110.043 177.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.7 mmt -109.32 152.08 25.74 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.15 0.5 . . . . 0.0 111.576 178.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.576 ' HA ' ' HE3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -72.72 170.21 15.04 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.718 172.794 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -67.49 -41.36 84.66 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.534 0.207 . . . . 0.0 110.972 -175.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 17.5 p -70.47 -45.31 65.97 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.978 0.418 . . . . 0.0 111.205 179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -62.6 -42.9 99.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.714 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.524 ' HA ' HG22 ' A' ' 33' ' ' VAL . 76.4 t80 -60.92 -42.19 97.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.64 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -65.13 -31.05 72.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.15 0.5 . . . . 0.0 111.093 -179.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -80.77 -38.99 27.6 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.122 179.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.524 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.3 m -81.37 -25.05 10.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 120.452 -0.499 . . . . 0.0 111.472 -179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.404 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.79 -25.93 61.24 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.044 0.449 . . . . 0.0 111.032 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 45.3 t -61.4 -41.23 96.81 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.813 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.49 ' C ' ' HD1' ' A' ' 37' ' ' TYR . 16.9 mt-10 -97.38 24.73 6.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.661 -0.245 . . . . 0.0 111.359 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.49 ' HD1' ' C ' ' A' ' 36' ' ' GLU . 3.5 m-30 -124.88 170.82 10.7 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -172.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.3 m -143.61 125.02 14.71 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.016 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.6 ttmm -69.05 127.53 33.44 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.124 176.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.1 pt -115.33 4.76 7.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 120.927 0.394 . . . . 0.0 112.001 -178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 122.99 164.77 12.18 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.812 174.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.5 m -105.25 153.54 21.45 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.107 0.479 . . . . 0.0 110.46 -177.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 85' ' ' ALA . 15.9 pt -114.13 164.81 9.9 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 175.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 20.8 t -146.42 165.74 28.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.878 0.37 . . . . 0.0 111.209 -174.076 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 0.6 OUTLIER -136.36 149.06 48.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.737 -178.114 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.1 t 179.99 155.16 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.708 173.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.531 ' O ' ' HD2' ' A' ' 80' ' ' LYS . . . 150.26 -109.62 0.44 Allowed Glycine 0 N--CA 1.445 -0.721 0 N-CA-C 111.621 -0.591 . . . . 0.0 111.621 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -167.4 31.39 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 121.457 0.646 . . . . 0.0 110.017 176.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.444 ' HA ' ' CE ' ' A' ' 49' ' ' MET . 10.9 mmt -91.24 168.14 11.81 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.197 -0.91 . . . . 0.0 110.072 -177.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.9 m -66.36 143.67 98.36 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 176.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.725 ' HA ' HD11 ' A' ' 81' ' ' ILE . 35.6 Cg_endo -63.92 -28.87 67.03 Favored 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 121.898 1.732 . . . . 0.0 112.889 -174.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 65.6 tp -76.01 -42.58 47.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.041 0.448 . . . . 0.0 110.158 173.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -62.12 -39.75 93.59 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.314 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.59 ' HB3' HD12 ' A' ' 81' ' ' ILE . . . -71.15 -31.28 67.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.852 177.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 36.1 mtm180 -67.26 -49.46 64.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.328 . . . . 0.0 110.9 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.484 ' HA ' HD12 ' A' ' 59' ' ' ILE . 11.6 pt-20 -65.59 -26.91 68.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.785 0.326 . . . . 0.0 110.678 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -65.71 -44.08 87.17 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 175.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 27.4 mt -64.36 -49.84 70.08 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.831 174.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.3 mt -56.89 -44.1 81.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.668 -175.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -73.2 -33.78 65.59 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.472 -0.491 . . . . 0.0 110.659 -179.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.409 ' HA ' ' HB2' ' A' ' 64' ' ' GLU . 18.9 mtpp -72.08 -40.28 68.36 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-O 121.178 0.513 . . . . 0.0 112.167 -177.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -55.85 -45.26 78.5 Favored 'General case' 0 C--N 1.311 -1.106 0 CA-C-N 115.099 -0.955 . . . . 0.0 110.11 172.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -71.53 -32.89 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.556 179.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 61' ' ' LYS . 21.4 mt-10 -61.04 -42.91 99.38 Favored 'General case' 0 N--CA 1.462 0.155 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.746 179.081 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 7.8 ttpm? -79.19 -14.79 58.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.035 0.445 . . . . 0.0 110.709 -178.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 103.25 79.91 1.4 Allowed Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.658 -0.782 . . . . 0.0 113.002 176.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -118.57 146.11 44.85 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-O 120.918 0.389 . . . . 0.0 110.19 177.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -94.47 -51.26 4.84 Favored 'General case' 0 C--N 1.318 -0.793 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 176.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.408 ' CG2' ' HE2' ' A' ' 37' ' ' TYR . 44.7 t -127.91 141.03 47.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.867 178.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.652 HG12 HG22 ' A' ' 87' ' ' ILE . 27.0 m -119.38 143.17 31.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 C-N-CA 120.807 -0.357 . . . . 0.0 110.182 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 49.5 t -119.45 105.73 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 81.0 mt -79.09 93.09 5.1 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.859 -177.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.2 p -67.12 -33.16 74.86 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 172.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.2 p 60.67 161.59 0.05 Allowed 'General case' 0 N--CA 1.465 0.311 0 C-N-CA 124.797 1.239 . . . . 0.0 112.613 173.529 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.578 ' CA ' ' HA3' ' A' ' 83' ' ' GLY . . . -88.19 -37.69 7.6 Favored Glycine 0 N--CA 1.444 -0.792 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.42 176.746 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 60.58 32.66 20.44 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 122.35 1.071 . . . . 0.0 108.783 -175.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.773 ' HB ' ' HA ' ' A' ' 81' ' ' ILE . 3.2 m -89.26 -31.98 17.61 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.978 -175.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 71.37 -54.02 0.67 Allowed 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.43 0.692 . . . . 0.0 112.239 179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -52.26 -72.35 0.05 Allowed 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 123.511 0.724 . . . . 0.0 111.965 -178.435 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.531 ' HD2' ' O ' ' A' ' 47' ' ' GLY . 53.0 pttt -139.46 4.84 2.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.244 0.545 . . . . 0.0 110.451 -178.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.773 ' HA ' ' HB ' ' A' ' 77' ' ' THR . 5.8 mt 62.38 155.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 CA-C-N 114.49 -1.232 . . . . 0.0 111.835 -175.27 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.47 ' HA ' ' O ' ' A' ' 45' ' ' THR . 8.8 t-160 -158.6 27.2 0.23 Allowed 'General case' 0 C--N 1.319 -0.727 0 N-CA-C 107.755 -1.202 . . . . 0.0 107.755 176.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.665 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -103.09 -163.05 25.68 Favored Glycine 0 N--CA 1.444 -0.778 0 CA-C-N 115.076 -0.966 . . . . 0.0 112.988 -171.684 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 16.0 p -137.95 179.28 6.53 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.372 0.606 . . . . 0.0 112.095 -171.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -154.88 133.56 12.07 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.065 -0.97 . . . . 0.0 108.553 169.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -112.17 127.17 55.86 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 -173.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.652 HG22 HG12 ' A' ' 70' ' ' VAL . 30.4 pt -115.95 153.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-O 121.3 0.571 . . . . 0.0 112.15 -170.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -131.48 145.73 51.9 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.0 109.865 179.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -108.99 165.54 11.51 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 109.073 -0.714 . . . . 0.0 109.073 172.012 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -78.0 142.5 38.23 Favored 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -65.43 177.43 1.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 121.075 0.464 . . . . 0.0 110.953 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.422 HD12 ' HG3' ' A' ' 93' ' ' GLU . 4.2 pp -86.07 -24.28 26.38 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 176.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.422 ' HG3' HD12 ' A' ' 92' ' ' LEU . 31.7 mt-10 -84.44 101.99 12.44 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.071 -0.968 . . . . 0.0 108.601 173.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 43.8 p-80 -145.99 -175.31 4.7 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.001 -171.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 9.6 t60 66.15 70.0 0.43 Allowed 'General case' 0 CA--C 1.528 0.12 0 O-C-N 123.785 0.678 . . . . 0.0 110.116 173.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -105.99 25.48 10.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.687 -176.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 77.18 138.14 0.06 Allowed 'General case' 0 N--CA 1.472 0.668 0 O-C-N 124.054 0.846 . . . . 0.0 111.197 -177.549 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 14.8 p80 -171.5 165.45 6.91 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.143 170.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 33.7 t-80 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.039 -0.981 . . . . 0.0 109.727 178.17 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.0 mtt . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 120.751 0.31 . . . . 0.0 110.807 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.9 pttm -173.45 112.74 0.21 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.535 176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.5 m -153.54 131.8 11.96 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.22 177.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.17 123.46 0.67 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.538 -0.839 . . . . 0.0 112.741 178.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -91.9 161.2 14.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.828 0.347 . . . . 0.0 110.441 174.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -97.47 101.15 12.62 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.184 -177.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 30.8 m -112.11 132.53 60.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.052 -177.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.449 ' O ' ' HG2' ' A' ' 8' ' ' MET . 0.9 OUTLIER -153.32 89.13 1.33 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.54 0.686 . . . . 0.0 110.236 176.051 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.45 77.56 1.71 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.241 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.02 141.5 15.37 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.271 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -156.06 105.85 2.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.941 0.401 . . . . 0.0 110.65 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 76.8 mt -88.4 85.78 6.93 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.336 0.589 . . . . 0.0 110.046 177.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -139.22 99.97 3.89 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.57 178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 86.1 t80 -155.46 101.72 2.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.004 -177.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.0 m -110.3 138.34 38.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.04 -179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 48.5 t -121.32 103.58 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.234 -0.439 . . . . 0.0 109.934 177.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 27.8 p -133.19 158.6 42.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.578 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -137.55 102.33 4.74 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.019 0.438 . . . . 0.0 110.14 176.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.5 p -91.23 152.89 3.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.812 178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -66.49 169.39 7.62 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.521 176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.07 94.86 0.69 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.564 -176.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 63.77 82.27 0.19 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.36 -0.836 . . . . 0.0 112.09 176.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -146.58 179.62 7.42 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.904 173.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.579 HD13 HG23 ' A' ' 70' ' ' VAL . 12.3 mm -85.34 146.35 6.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.073 -179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 69.6 mmm -128.6 164.01 23.78 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.597 0.237 . . . . 0.0 110.774 176.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 64.0 mttm -61.9 140.15 58.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.725 176.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 62.3 mttp -71.92 -25.77 62.03 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 111.861 0.319 . . . . 0.0 111.861 -172.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 58.2 m -65.36 -50.04 67.06 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.855 0.36 . . . . 0.0 110.355 175.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -66.95 -40.26 87.49 Favored 'General case' 0 C--O 1.219 -0.526 0 N-CA-C 109.498 -0.556 . . . . 0.0 109.498 175.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.58 ' HB3' ' HA ' ' A' ' 27' ' ' LYS . 62.5 t80 -54.33 -47.3 72.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.338 179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -65.75 -33.3 75.55 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.996 0.427 . . . . 0.0 111.157 -179.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -82.89 -29.47 29.26 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.949 -0.568 . . . . 0.0 112.002 -177.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.404 HG22 ' HA ' ' A' ' 30' ' ' PHE . 27.6 m -86.44 -19.28 8.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.829 177.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -56.43 -26.08 52.48 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.328 0.585 . . . . 0.0 110.344 177.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -59.62 -42.39 92.56 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.252 177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.48 ' C ' ' HD2' ' A' ' 91' ' ' LYS . 5.2 mt-10 -120.47 37.82 4.16 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.983 0.897 . . . . 0.0 110.886 -175.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -127.11 -176.46 3.73 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 114.4 -1.273 . . . . 0.0 108.15 173.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 90.3 m -136.51 135.36 38.47 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.116 0.484 . . . . 0.0 112.038 -174.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.2 122.22 25.39 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.669 -0.696 . . . . 0.0 109.393 172.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.518 HG13 HG13 ' A' ' 87' ' ' ILE . 15.7 pt -116.01 5.82 7.36 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 120.874 0.368 . . . . 0.0 111.194 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 115.27 175.05 18.3 Favored Glycine 0 N--CA 1.445 -0.716 0 C-N-CA 120.639 -0.791 . . . . 0.0 113.376 172.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.3 m -105.57 151.63 24.09 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 109.931 -0.396 . . . . 0.0 109.931 177.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.8 pt -124.5 164.56 22.78 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.587 ' HB3' HG22 ' A' ' 84' ' ' THR . 10.3 p -142.07 179.83 6.66 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-O 120.825 0.345 . . . . 0.0 111.508 -177.751 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.454 HG21 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -126.8 131.4 51.27 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.641 177.126 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 15.3 t -124.28 162.15 24.33 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.169 -0.469 . . . . 0.0 109.944 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 93.7 -25.29 21.97 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.375 179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.436 ' HB3' ' HB2' ' A' ' 80' ' ' LYS . 29.3 mt-10 62.69 92.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.46 0.648 . . . . 0.0 111.618 178.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.6 mtm -119.19 -177.6 3.38 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.797 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.3 m -59.74 146.49 80.9 Favored Pre-proline 0 C--N 1.328 -0.346 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 175.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.507 ' HD3' ' O ' ' A' ' 78' ' ' GLU . 18.5 Cg_endo -58.85 -40.92 67.66 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.606 2.204 . . . . 0.0 112.864 -172.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.642 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.2 tt -67.26 -41.71 85.12 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 179.702 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -63.34 -42.38 98.94 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.05 0.452 . . . . 0.0 110.302 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.478 ' CB ' HD11 ' A' ' 81' ' ' ILE . . . -65.99 -34.85 79.05 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.848 178.388 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.642 HH21 ' HG ' ' A' ' 52' ' ' LEU . 23.5 mtm180 -60.15 -49.28 78.26 Favored 'General case' 0 CA--C 1.515 -0.375 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.009 175.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 60.5 mt-10 -62.02 -34.07 75.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.832 -178.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.726 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 25.1 t70 -65.74 -45.55 82.2 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 177.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 62.0 mt -63.22 -51.12 67.55 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.852 178.364 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 53.8 mt -60.37 -49.62 83.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.186 -176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 29.8 mmmt -73.19 -32.16 64.65 Favored 'General case' 0 C--O 1.222 -0.382 0 N-CA-C 111.829 0.307 . . . . 0.0 111.829 -176.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.726 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.8 ttpt -67.42 -43.38 81.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.971 0.415 . . . . 0.0 109.997 176.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' HB1' ' HB3' ' A' ' 67' ' ' ALA . . . -60.35 -50.68 72.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.168 173.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.03 -43.12 81.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.165 177.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -64.66 -27.74 69.14 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.649 178.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -94.33 5.31 52.16 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.128 0.49 . . . . 0.0 110.071 177.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.462 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 90.53 11.91 61.74 Favored Glycine 0 C--O 1.225 -0.464 0 CA-C-N 115.716 -0.675 . . . . 0.0 114.043 171.224 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.626 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -67.3 146.73 53.82 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 117.444 0.622 . . . . 0.0 111.927 -176.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.459 ' OD1' ' HD2' ' A' ' 89' ' ' LYS . 2.1 m-20 -104.38 -43.92 5.07 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.361 179.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.2 t -119.87 137.45 53.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.072 -178.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.635 HG12 HG22 ' A' ' 87' ' ' ILE . 35.2 m -116.46 144.52 23.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 176.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -134.79 125.03 45.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.821 0.343 . . . . 0.0 110.744 -179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 85.5 mt -86.69 94.68 9.56 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.058 0.456 . . . . 0.0 110.107 176.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 8.7 p -85.23 -30.55 23.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.612 -0.722 . . . . 0.0 111.231 -178.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 89.7 p -84.75 -150.22 0.12 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.065 -0.516 . . . . 0.0 109.931 177.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -122.42 -151.78 8.46 Favored Glycine 0 N--CA 1.436 -1.312 0 C-N-CA 120.535 -0.841 . . . . 0.0 111.7 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.629 ' HG3' HG21 ' A' ' 81' ' ' ILE . 34.7 tt0 -178.35 105.68 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.897 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' A' ' 78' ' ' GLU . 20.9 m -62.28 -79.17 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.507 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 27.2 tt0 173.56 -83.93 0.0 OUTLIER 'General case' 0 N--CA 1.461 0.107 0 O-C-N 123.289 0.368 . . . . 0.0 110.728 175.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -65.02 -32.94 74.91 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.238 -172.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.436 ' HB2' ' HB3' ' A' ' 48' ' ' GLU . 45.8 pttt -138.13 139.16 39.28 Favored 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.794 -0.817 . . . . 0.0 108.794 176.468 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.629 HG21 ' HG3' ' A' ' 76' ' ' GLN . 28.6 pt -152.49 151.36 11.98 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.09 -176.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 -123.07 33.15 5.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.318 -0.855 . . . . 0.0 108.815 169.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.71 152.6 30.9 Favored Glycine 0 N--CA 1.451 -0.346 0 CA-C-N 115.04 -0.982 . . . . 0.0 113.606 -173.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.587 HG22 ' HB3' ' A' ' 44' ' ' SER . 73.1 p -123.09 135.43 54.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -118.52 133.21 56.05 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 178.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -101.08 127.82 47.44 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.635 HG22 HG12 ' A' ' 70' ' ' VAL . 22.6 pt -115.33 152.67 16.94 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 121.624 0.726 . . . . 0.0 112.366 -169.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 30.1 m-85 -126.25 149.54 49.02 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.774 -1.103 . . . . 0.0 110.337 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.507 ' HB2' HD13 ' A' ' 40' ' ' ILE . 38.2 tptt -115.97 140.64 49.05 Favored 'General case' 0 C--N 1.31 -1.113 0 CA-C-N 115.04 -0.982 . . . . 0.0 109.983 -176.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.414 ' O ' ' HE3' ' A' ' 89' ' ' LYS . 0.2 OUTLIER -71.71 134.11 46.05 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 176.409 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 93' ' ' GLU . 76.8 mttt -79.56 172.94 13.11 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-O 121.613 0.72 . . . . 0.0 110.849 179.276 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.471 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.8 OUTLIER -101.73 3.58 39.74 Favored 'General case' 0 C--N 1.316 -0.849 0 N-CA-C 107.414 -1.328 . . . . 0.0 107.414 172.32 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.566 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 25.3 tt0 -85.09 81.16 8.99 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 113.742 -1.572 . . . . 0.0 109.914 -176.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 28.2 p-80 -177.79 171.26 1.85 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.625 -1.171 . . . . 0.0 108.945 177.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -96.41 133.47 40.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.826 0.346 . . . . 0.0 110.444 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -56.24 132.9 51.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.364 -0.835 . . . . 0.0 111.277 -176.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -74.45 137.4 42.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.97 -178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.543 ' O ' ' HB2' ' A' ' 99' ' ' HIS . 39.8 p-80 -55.27 117.88 3.91 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -172.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.543 ' HB2' ' O ' ' A' ' 98' ' ' HIS . 64.0 t60 . . . . . 0 C--O 1.246 0.902 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.239 170.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.1 mpt? . . . . . 0 N--CA 1.481 1.117 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 23.6 tptm 62.28 84.64 0.14 Allowed 'General case' 0 N--CA 1.463 0.195 0 O-C-N 123.728 0.643 . . . . 0.0 111.159 176.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.8 t -169.76 10.38 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.64 -179.22 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.19 62.3 4.58 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.018 -176.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 41.0 t80 -109.31 130.5 55.49 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.157 -0.312 . . . . 0.0 110.157 -178.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.4 mppt? -118.69 129.4 55.26 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.813 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -97.73 131.05 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.03 0.443 . . . . 0.0 110.945 -178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 51.6 ttp -161.39 150.58 16.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.604 179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.627 ' HG ' ' H ' ' A' ' 10' ' ' GLY . 1.1 pt? -133.9 -59.13 0.85 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.56 0.219 . . . . 0.0 110.757 177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.627 ' H ' ' HG ' ' A' ' 9' ' ' LEU . . . 98.2 -160.06 20.66 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.108 178.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -145.46 148.13 32.94 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 110.336 -0.246 . . . . 0.0 110.336 179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 pp -148.31 148.17 30.12 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.563 -0.29 . . . . 0.0 110.812 -178.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.66 101.63 0.58 Allowed 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.095 177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -119.93 94.99 4.58 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.643 -178.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.7 p -177.67 129.56 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.482 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 30.9 m -117.8 -43.21 2.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.735 176.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 22.3 m 56.69 77.12 0.27 Allowed 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.539 0.685 . . . . 0.0 111.682 -178.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -94.63 137.83 33.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 174.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.6 p -123.93 136.88 58.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.231 0.539 . . . . 0.0 111.967 -172.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 23.2 p90 -159.49 134.07 7.84 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 172.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -159.77 56.54 0.38 Allowed 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.607 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -61.36 127.99 34.19 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.991 177.506 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -132.66 157.98 43.44 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 120.919 0.39 . . . . 0.0 111.147 -178.552 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.679 HD13 HG23 ' A' ' 70' ' ' VAL . 25.8 mm -85.24 144.39 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.378 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 92.1 mmm -128.35 155.53 44.52 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 110.542 -0.17 . . . . 0.0 110.542 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 84.0 mttt -71.78 154.46 41.29 Favored 'General case' 0 C--O 1.223 -0.301 0 CA-C-N 116.723 -0.217 . . . . 0.0 111.543 -179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -51.83 -52.78 46.84 Favored 'General case' 0 C--N 1.331 -0.223 0 O-C-N 123.541 0.525 . . . . 0.0 112.162 -177.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.419 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 55.4 m -63.98 -50.47 68.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.951 0.405 . . . . 0.0 111.022 -174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -69.77 -35.42 74.89 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.567 -177.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.561 ' HA ' HG22 ' A' ' 33' ' ' VAL . 74.4 t80 -63.5 -41.82 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.261 176.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -63.39 -30.96 72.0 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.388 0.613 . . . . 0.0 110.864 178.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.419 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.3 mptt -81.14 -39.47 25.53 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.969 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.561 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.2 m -84.55 -9.97 11.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.7 -0.4 . . . . 0.0 111.555 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.64 -25.8 68.39 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.502 0.668 . . . . 0.0 109.852 174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -76.85 -28.4 55.46 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.946 -1.024 . . . . 0.0 109.629 176.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -93.85 -1.73 54.44 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.209 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -120.98 -178.71 3.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -175.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 44.3 m -143.99 125.66 15.05 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.407 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' HG3' ' H ' ' A' ' 41' ' ' GLY . 21.9 ttpt -79.3 128.6 33.53 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.917 0.389 . . . . 0.0 111.042 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 15.3 pt -94.08 -14.31 8.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.076 179.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.4 ' H ' ' HG3' ' A' ' 39' ' ' LYS . . . 150.82 162.74 10.84 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 121.004 -0.617 . . . . 0.0 111.856 178.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.89 148.64 27.37 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 177.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.521 HD13 ' HB2' ' A' ' 62' ' ' ALA . 28.6 pt -116.54 164.34 12.95 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.582 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.7 p -153.03 173.21 15.73 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-O 120.924 0.393 . . . . 0.0 111.453 -177.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.703 HG23 HD21 ' A' ' 58' ' ' LEU . 0.7 OUTLIER -135.5 138.72 43.39 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.21 177.476 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 78.9 m -144.49 98.47 3.2 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.458 169.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 178.43 -137.38 3.26 Favored Glycine 0 N--CA 1.435 -1.411 0 C-N-CA 120.701 -0.761 . . . . 0.0 111.893 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -156.05 95.97 1.67 Allowed 'General case' 0 C--N 1.313 -0.99 0 CA-C-O 121.677 0.751 . . . . 0.0 111.666 -176.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.582 ' HB2' ' HB2' ' A' ' 54' ' ' ALA . 88.6 mmm -132.67 177.95 7.23 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.178 -0.919 . . . . 0.0 108.609 177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.532 ' HB2' ' HB3' ' A' ' 53' ' ' ASP . 15.0 m -65.46 143.7 98.76 Favored Pre-proline 0 C--N 1.326 -0.429 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 176.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 13.6 Cg_endo -58.09 -47.36 20.57 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.478 2.119 . . . . 0.0 113.519 -174.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.7 tt -75.26 -37.59 60.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 50' ' ' SER . 37.1 t70 -67.34 -39.66 85.82 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.982 -176.036 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.582 ' HB2' ' HB2' ' A' ' 49' ' ' MET . . . -71.45 -33.46 69.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.647 178.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.426 HH11 ' HD2' ' A' ' 55' ' ' ARG . 37.3 mtm180 -65.92 -48.74 70.39 Favored 'General case' 0 N--CA 1.448 -0.544 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 176.252 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -60.67 -35.12 75.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.95 176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.633 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 29.8 t70 -63.31 -43.34 98.09 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.972 0.415 . . . . 0.0 109.96 177.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.703 HD21 HG23 ' A' ' 45' ' ' THR . 23.1 mt -64.43 -52.31 58.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.974 176.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 38.3 mt -60.78 -48.35 89.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.3 -176.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 45.6 mmtm -69.39 -33.88 73.69 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.762 -177.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.633 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -69.8 -44.19 70.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.763 0.315 . . . . 0.0 110.866 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.566 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.82 -42.27 97.39 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.254 0.55 . . . . 0.0 110.222 172.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -58.62 -42.34 87.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.057 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -68.06 -37.14 80.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.76 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -67.16 -25.67 66.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.38 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.3 56.27 0.46 Allowed Glycine 0 N--CA 1.447 -0.619 0 C-N-CA 120.617 -0.802 . . . . 0.0 112.676 178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.422 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -106.88 143.63 34.69 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 176.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -97.29 -40.86 8.54 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.413 0.625 . . . . 0.0 109.688 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 57.7 t -124.77 137.24 58.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.426 -0.807 . . . . 0.0 110.39 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.679 HG23 HD13 ' A' ' 24' ' ' ILE . 19.2 m -127.63 144.46 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.309 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.9 t -131.56 124.05 53.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.236 177.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.34 105.37 12.47 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.691 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -93.69 -0.7 55.92 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.255 0.55 . . . . 0.0 111.07 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 49.1 m -61.39 137.51 58.24 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.637 -178.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -170.02 76.42 0.1 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.158 178.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -127.16 -87.85 0.57 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.883 0.373 . . . . 0.0 110.736 177.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 8.8 t 177.28 122.96 0.03 OUTLIER 'General case' 0 N--CA 1.443 -0.79 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 -176.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -24.25 -63.53 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 N-CA-C 115.048 1.499 . . . . 0.0 115.048 -178.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -56.05 -34.48 65.94 Favored 'General case' 0 N--CA 1.467 0.375 0 N-CA-C 112.733 0.642 . . . . 0.0 112.733 -168.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.3 ptmt -134.01 45.38 2.63 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.17 0.509 . . . . 0.0 110.37 -176.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.8 pt -49.14 117.34 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.249 -0.887 . . . . 0.0 112.821 -179.124 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.601 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.0 t-160 -125.78 61.86 1.24 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 114.377 -1.283 . . . . 0.0 107.643 173.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -100.9 169.68 21.21 Favored Glycine 0 N--CA 1.443 -0.878 0 CA-C-N 115.165 -0.925 . . . . 0.0 112.537 -173.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.582 HG22 ' HB3' ' A' ' 44' ' ' SER . 17.3 p -125.28 163.61 22.14 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 122.544 0.338 . . . . 0.0 110.207 178.614 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -143.45 132.67 23.17 Favored 'General case' 0 C--N 1.315 -0.893 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 171.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -111.07 119.9 40.57 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.182 0.515 . . . . 0.0 109.954 -173.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.66 HG22 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -116.88 153.87 18.55 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 115.701 -0.682 . . . . 0.0 112.145 -171.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -135.94 148.87 48.7 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.762 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -107.19 153.02 23.29 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.832 -0.622 . . . . 0.0 109.674 173.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -73.63 145.96 44.95 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -83.65 -168.15 2.0 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.309 0.576 . . . . 0.0 110.85 178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.0 pp -110.42 6.8 22.48 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.562 -0.744 . . . . 0.0 110.362 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -100.79 122.13 42.88 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.536 -0.757 . . . . 0.0 109.724 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -84.36 112.52 20.41 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-O 121.112 0.482 . . . . 0.0 110.212 177.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -86.58 25.27 1.27 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.074 -176.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 64.6 t60 64.63 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.257 0 CA-C-O 121.399 0.619 . . . . 0.0 111.699 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 98' ' ' HIS . 11.2 t-80 -129.95 -77.65 0.54 Allowed 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 174.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.461 ' HB2' ' O ' ' A' ' 97' ' ' HIS . 2.4 t60 167.53 -60.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 176.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 18.9 p-80 . . . . . 0 C--O 1.251 1.158 0 CA-C-O 117.323 -1.322 . . . . 0.0 108.109 169.121 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 ptt? . . . . . 0 N--CA 1.481 1.125 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.0 mmtt -133.28 126.15 30.84 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 177.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.9 p -131.41 170.61 14.43 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.548 -176.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.69 23.45 10.91 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 0.0 113.06 175.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -142.43 111.6 6.49 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.272 0.558 . . . . 0.0 111.307 179.526 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -171.91 90.34 0.11 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.443 175.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 25.4 m -130.99 152.42 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.965 0.412 . . . . 0.0 111.378 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 53.9 ttp -134.52 104.81 6.25 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.56 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 60.8 tp -113.13 105.81 13.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.175 177.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 158.43 94.09 0.1 OUTLIER Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.465 -0.874 . . . . 0.0 112.661 177.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.57 99.32 2.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.74 0.305 . . . . 0.0 110.437 177.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.5 mt -139.83 114.95 9.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.443 179.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -141.8 113.56 7.87 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.962 179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -121.35 114.69 21.68 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.712 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.5 m -110.28 139.38 33.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.999 0.428 . . . . 0.0 111.307 -176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 25.1 m -138.9 164.43 25.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.84 177.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.7 p -122.03 -75.86 0.59 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 120.542 0.21 . . . . 0.0 110.883 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 62.54 31.92 16.75 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.01 178.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.3 m -90.94 126.12 43.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.046 -178.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 88.5 m-85 -139.49 139.7 37.04 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.591 178.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.65 110.5 2.44 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.92 113.39 25.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.911 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -112.06 164.05 13.59 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.212 0.529 . . . . 0.0 111.51 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 32.3 mm -95.64 139.35 19.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.525 -0.762 . . . . 0.0 109.665 177.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 24.3 mmt -135.27 156.45 48.94 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.625 0.25 . . . . 0.0 111.067 177.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -78.77 -174.76 4.09 Favored 'General case' 0 C--O 1.224 -0.255 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.867 173.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.544 ' HD3' ' O ' ' A' ' 27' ' ' LYS . 9.1 tmtt? -82.44 -34.24 28.25 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 177.316 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.412 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 40.4 p -66.15 -49.72 66.43 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 116.256 -0.429 . . . . 0.0 109.964 175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -61.88 -38.84 89.81 Favored 'General case' 0 C--O 1.223 -0.298 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.036 174.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.487 ' HA ' HG22 ' A' ' 33' ' ' VAL . 27.4 t80 -56.49 -46.94 80.21 Favored 'General case' 0 C--O 1.217 -0.623 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.874 176.39 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -62.24 -32.23 72.89 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.306 0.575 . . . . 0.0 110.737 -179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.412 ' HD3' ' O ' ' A' ' 28' ' ' THR . 12.4 mptt -83.77 -30.12 26.88 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.811 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.487 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.2 m -88.14 -24.51 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 120.733 -0.387 . . . . 0.0 111.553 176.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.637 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.78 -22.04 63.69 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.07 0.462 . . . . 0.0 110.982 -178.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.1 t -56.28 -32.0 64.14 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.641 174.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.34 18.96 12.87 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.866 179.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.637 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 7.7 m-85 -127.39 168.59 14.63 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -175.267 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.422 ' OG1' ' HG2' ' A' ' 91' ' ' LYS . 92.0 m -145.82 131.07 18.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.051 -177.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 47.1 tttm -75.93 112.09 11.98 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 176.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 17.6 pt -91.31 -16.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.687 0.279 . . . . 0.0 111.511 -178.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 152.11 -179.18 28.87 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.308 178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.9 m -106.95 153.73 22.12 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.937 0.399 . . . . 0.0 110.256 176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.418 HG13 HD22 ' A' ' 58' ' ' LEU . 28.1 pt -129.14 163.25 34.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 108.92 -0.77 . . . . 0.0 108.92 174.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.9 t -152.26 175.09 13.0 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 110.215 -0.291 . . . . 0.0 110.215 -178.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.674 HG21 ' HB1' ' A' ' 54' ' ' ALA . 6.3 p -102.27 140.2 36.86 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.585 179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 11.5 m -122.43 108.04 12.74 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.262 0.553 . . . . 0.0 110.581 -179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.56 -111.78 0.79 Allowed Glycine 0 N--CA 1.44 -1.07 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 179.99 101.77 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.348 0.594 . . . . 0.0 110.811 177.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.5 mmt -132.52 164.25 27.03 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.762 179.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -67.62 154.33 93.47 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.469 177.411 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.636 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 5.9 Cg_endo -47.39 -55.41 3.97 Favored 'Trans proline' 0 C--N 1.35 0.656 0 C-N-CA 123.595 2.864 . . . . 0.0 114.022 -172.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.488 ' HA ' ' HD2' ' A' ' 55' ' ' ARG . 7.5 mp -68.03 -32.18 72.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.617 0.246 . . . . 0.0 111.248 -175.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -72.25 -39.19 68.64 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.108 0.48 . . . . 0.0 109.941 178.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.674 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.13 -32.21 73.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.19 176.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.636 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 98.0 mtt180 -61.82 -47.51 84.75 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 115.864 -0.607 . . . . 0.0 109.692 175.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 40.8 mm-40 -57.13 -40.39 77.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.051 179.639 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.607 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.3 t70 -62.79 -43.69 98.13 Favored 'General case' 0 CA--C 1.519 -0.237 0 CA-C-O 121.474 0.654 . . . . 0.0 109.728 179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.418 HD22 HG13 ' A' ' 43' ' ' ILE . 91.6 mt -64.22 -49.93 70.01 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.116 -0.947 . . . . 0.0 110.993 179.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.7 mt -61.53 -46.69 96.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.252 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.1 mttm -72.99 -34.88 66.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.427 -177.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.607 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.1 ttpt -67.39 -41.61 84.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.817 0.341 . . . . 0.0 110.683 178.224 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.405 ' HB2' HD13 ' A' ' 43' ' ' ILE . . . -66.12 -37.9 86.85 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.404 173.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -60.44 -42.69 96.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.704 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.42 -38.09 79.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.162 176.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.1 tppt? -79.56 -23.36 42.84 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.496 -178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 96.25 44.21 3.06 Favored Glycine 0 N--CA 1.445 -0.705 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.772 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -89.24 135.97 33.28 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 175.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.496 ' HB2' ' CE2' ' A' ' 37' ' ' TYR . 3.3 m-20 -84.1 -44.05 14.44 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.494 0.664 . . . . 0.0 110.189 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.4 t -126.25 140.07 49.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.913 -0.585 . . . . 0.0 109.997 178.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.617 HG12 HG22 ' A' ' 87' ' ' ILE . 33.3 m -123.24 143.15 37.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.0 t -122.16 109.26 23.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.7 mt -77.33 84.49 3.77 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.193 0.521 . . . . 0.0 110.536 -177.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.2 p -75.38 -39.55 59.03 Favored 'General case' 0 N--CA 1.445 -0.679 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.83 178.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.889 ' HA ' ' H ' ' A' ' 84' ' ' THR . 46.1 m 57.73 -164.64 0.17 Allowed 'General case' 0 C--O 1.234 0.279 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.505 -176.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -66.43 -103.62 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.281 -0.962 . . . . 0.0 111.912 175.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 49.0 mt-30 -131.96 -3.31 3.6 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 120.933 0.397 . . . . 0.0 110.432 175.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 6.8 t 178.52 127.09 0.06 Allowed 'General case' 0 N--CA 1.439 -0.985 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.534 -176.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -63.43 2.55 0.4 Allowed 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 114.927 -1.033 . . . . 0.0 112.625 174.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -48.57 -50.99 29.98 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 122.827 0.451 . . . . 0.0 111.229 172.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -106.09 11.72 31.11 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-O 121.233 0.54 . . . . 0.0 109.647 177.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.42 HG22 ' H ' ' A' ' 82' ' ' HIS . 4.7 mt 61.78 -135.43 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.695 -177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.42 ' H ' HG22 ' A' ' 81' ' ' ILE . 36.4 t-80 66.67 91.4 0.09 Allowed 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.922 0.889 . . . . 0.0 109.485 -171.278 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -91.67 134.96 12.52 Favored Glycine 0 N--CA 1.44 -1.065 0 CA-C-N 115.289 -0.868 . . . . 0.0 112.656 -176.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.889 ' H ' ' HA ' ' A' ' 74' ' ' SER . 1.6 m -128.91 154.81 46.16 Favored 'General case' 0 C--N 1.309 -1.179 0 N-CA-C 107.86 -1.163 . . . . 0.0 107.86 176.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -148.98 133.56 17.71 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.233 0.54 . . . . 0.0 111.576 -179.051 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.16 120.48 38.64 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 173.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.617 HG22 HG12 ' A' ' 70' ' ' VAL . 28.6 pt -111.55 153.09 13.33 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-O 121.211 0.529 . . . . 0.0 111.945 -171.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 49.9 m-85 -137.51 141.89 41.46 Favored 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.265 -175.364 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -110.73 162.33 14.87 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.458 177.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -77.02 144.6 38.55 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HG2' ' OG1' ' A' ' 38' ' ' THR . 34.0 mtpt -86.16 -172.14 3.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.686 0.755 . . . . 0.0 111.699 -178.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -95.34 -20.1 19.41 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.057 175.098 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.438 ' OE2' ' HG ' ' A' ' 92' ' ' LEU . 14.2 mp0 -89.98 106.04 18.21 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.334 -0.848 . . . . 0.0 108.726 169.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.3 p-80 -139.17 125.63 20.43 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-O 121.026 0.441 . . . . 0.0 110.591 -178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -95.44 -7.06 39.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.181 -177.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 21.9 t-80 61.65 89.35 0.08 Allowed 'General case' 0 N--CA 1.463 0.188 0 O-C-N 123.954 0.784 . . . . 0.0 110.352 176.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -63.49 111.48 2.35 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 121.651 0.739 . . . . 0.0 111.97 -173.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.3 t-80 -97.3 80.41 2.89 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.545 -0.909 . . . . 0.0 108.545 171.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 C--O 1.251 1.149 0 CA-C-O 118.769 -0.634 . . . . 0.0 109.415 -174.774 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.8 ttt . . . . . 0 N--CA 1.479 1.017 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -64.21 111.64 2.68 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 111.501 179.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 10.9 t -163.92 141.06 6.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.769 -0.651 . . . . 0.0 109.591 175.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.73 105.18 0.25 Allowed Glycine 0 N--CA 1.445 -0.743 0 C-N-CA 120.885 -0.674 . . . . 0.0 111.866 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 27.3 p90 -114.52 152.17 32.15 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.887 0.375 . . . . 0.0 110.114 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ptpt -152.37 108.39 3.37 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.263 0.554 . . . . 0.0 110.808 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.3 p -134.81 86.01 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-O 121.841 0.829 . . . . 0.0 110.62 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 87.6 mtp -136.41 86.25 2.21 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.937 176.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -138.73 -174.94 3.97 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.447 -177.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 103.19 7.72 42.89 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.955 -0.641 . . . . 0.0 112.261 -178.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -115.57 108.7 16.77 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.003 0.43 . . . . 0.0 110.545 179.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.6 mp -116.15 125.06 51.81 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.974 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -85.53 89.42 7.7 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.015 0.436 . . . . 0.0 110.281 178.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -87.94 -16.64 33.27 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.268 -178.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 8.9 p -127.31 141.54 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.168 -176.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.1 p -129.49 142.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 176.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.9 t -111.65 125.84 54.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.229 0.537 . . . . 0.0 111.001 -176.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 m-20 -85.89 118.34 25.31 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.833 -0.622 . . . . 0.0 110.876 178.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 5.6 p -146.55 118.92 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.201 0.525 . . . . 0.0 111.114 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -126.67 142.72 51.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.38 -0.827 . . . . 0.0 108.935 176.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -165.85 -65.25 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 121.231 -0.188 . . . . 0.0 111.343 -177.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . 58.59 90.13 0.05 Allowed 'General case' 0 N--CA 1.463 0.213 0 O-C-N 123.918 0.761 . . . . 0.0 111.438 -176.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -129.18 161.84 29.19 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.611 -177.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.703 HD13 HG23 ' A' ' 70' ' ' VAL . 39.6 mm -83.5 143.35 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.441 -179.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 tpt -122.75 137.01 55.05 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 110.335 -0.246 . . . . 0.0 110.335 178.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 77.0 mttt -58.68 147.49 32.65 Favored 'General case' 0 C--O 1.222 -0.367 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 173.268 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -54.89 -45.62 74.7 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 m -66.77 -38.56 86.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.898 0.38 . . . . 0.0 111.145 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -73.15 -41.03 64.37 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 176.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.53 ' HA ' HG22 ' A' ' 33' ' ' VAL . 45.3 t80 -55.42 -48.89 73.71 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.412 177.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -60.3 -32.75 71.51 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.099 0.476 . . . . 0.0 111.133 179.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.7 mptt -83.36 -32.45 26.21 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.524 -177.698 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.53 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.7 m -85.14 -14.23 11.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.852 177.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -58.56 -27.13 64.3 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 121.275 0.56 . . . . 0.0 110.22 175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.7 t -66.13 -37.66 86.25 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.429 176.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -102.25 18.66 20.38 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.33 -176.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.609 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 15.2 m-85 -132.63 167.53 19.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.231 0.538 . . . . 0.0 111.585 -177.605 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 75.6 m -130.13 152.77 49.21 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.542 -0.753 . . . . 0.0 110.202 -172.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.6 tppt? -93.13 122.71 35.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.249 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.423 HD13 ' HB2' ' A' ' 89' ' ' LYS . 12.2 pt -111.22 -2.99 10.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 120.922 0.392 . . . . 0.0 110.806 177.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 125.1 170.04 13.04 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.535 -0.84 . . . . 0.0 112.731 175.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.439 HG23 ' HA ' ' A' ' 86' ' ' ASP . 4.0 m -105.24 151.42 24.12 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 177.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 pt -123.11 164.01 21.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.497 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -158.3 175.75 13.34 Favored 'General case' 0 N--CA 1.446 -0.67 0 CA-C-O 120.981 0.42 . . . . 0.0 111.677 -179.579 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.0 t -161.28 162.92 31.19 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.667 -0.697 . . . . 0.0 109.88 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.8 m -151.01 144.23 24.76 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.157 -176.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.52 -122.34 1.09 Allowed Glycine 0 N--CA 1.443 -0.893 0 C-N-CA 120.365 -0.922 . . . . 0.0 112.528 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -155.97 40.34 0.38 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.694 0.759 . . . . 0.0 109.277 -174.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 12.8 mmt -88.35 -168.92 2.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.943 -171.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.8 m -99.38 149.21 35.63 Favored Pre-proline 0 C--N 1.322 -0.611 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.4 176.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.498 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 9.6 Cg_endo -53.6 -46.4 34.04 Favored 'Trans proline' 0 C--N 1.345 0.38 0 C-N-CA 122.912 2.408 . . . . 0.0 113.343 -176.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.51 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.6 mp -75.28 -34.14 61.3 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.914 0.388 . . . . 0.0 110.502 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 35.1 t70 -64.98 -46.14 82.68 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.751 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.4 -31.09 71.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.677 178.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.51 HH21 ' HG ' ' A' ' 52' ' ' LEU . 37.5 mtm180 -64.49 -48.04 76.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.097 176.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 31.3 mm-40 -62.21 -35.25 78.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 CA-C-O 120.795 0.331 . . . . 0.0 111.202 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.13 -45.61 84.36 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.95 -0.568 . . . . 0.0 109.753 179.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 37.9 mt -69.84 -49.68 50.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.435 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.5 mt -61.92 -41.45 90.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.266 -176.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.0 mmtm -73.58 -29.59 62.51 Favored 'General case' 0 C--O 1.222 -0.347 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 64' ' ' GLU . 21.6 mtpp -75.13 -39.27 60.65 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.392 0.615 . . . . 0.0 111.464 177.224 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.55 -44.79 81.24 Favored 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.252 168.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.15 -34.88 79.05 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.273 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.424 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 22.7 mt-10 -64.74 -22.1 66.91 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.141 174.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -87.77 -12.52 44.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 176.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.55 9.36 58.94 Favored Glycine 0 N--CA 1.449 -0.467 0 CA-C-N 115.721 -0.672 . . . . 0.0 112.727 177.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.561 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -61.53 146.5 48.49 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 121.404 0.621 . . . . 0.0 111.951 -176.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.513 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 3.3 m-20 -99.32 -45.34 5.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.197 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.5 t -122.7 138.72 51.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.913 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.703 HG23 HD13 ' A' ' 24' ' ' ILE . 34.9 m -122.14 143.03 36.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 120.826 0.346 . . . . 0.0 110.666 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.9 t -119.38 104.99 16.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.4 96.17 7.27 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.441 -176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.4 p -72.91 -43.41 62.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 169.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.566 ' HA ' ' H ' ' A' ' 84' ' ' THR . 86.7 p 54.24 -171.78 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.552 -1.204 . . . . 0.0 113.794 170.469 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -132.92 106.88 0.66 Allowed Glycine 0 N--CA 1.442 -0.939 0 N-CA-C 109.982 -1.247 . . . . 0.0 109.982 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.5 tm0? -79.79 88.32 5.24 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-O 122.114 0.959 . . . . 0.0 109.873 -172.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.537 HG21 ' HG3' ' A' ' 80' ' ' LYS . 8.7 m -135.2 -95.5 0.26 Allowed 'General case' 0 C--N 1.302 -1.48 0 CA-C-N 113.811 -1.541 . . . . 0.0 110.623 168.517 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -179.65 -70.55 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 179.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.7 t-20 -100.79 -51.01 3.68 Favored 'General case' 0 N--CA 1.454 -0.243 0 CA-C-O 121.162 0.506 . . . . 0.0 111.109 179.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.537 ' HG3' HG21 ' A' ' 77' ' ' THR . 19.9 ptmt -77.83 45.63 0.52 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.493 0.664 . . . . 0.0 110.808 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 17.1 pt -84.97 125.52 40.35 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.691 -176.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -96.66 95.55 8.02 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -68.34 142.28 38.81 Favored Glycine 0 N--CA 1.444 -0.827 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.449 -177.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.566 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.8 OUTLIER -146.55 141.63 27.18 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.753 -0.462 . . . . 0.0 109.753 176.776 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -152.18 133.17 14.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 120.765 0.317 . . . . 0.0 110.526 177.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.439 ' HA ' HG23 ' A' ' 42' ' ' THR . 36.8 t70 -103.1 121.27 42.26 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.072 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.604 HG22 HG12 ' A' ' 70' ' ' VAL . 23.7 pt -114.95 153.55 16.42 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.52 0.676 . . . . 0.0 112.373 -167.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 -130.75 152.62 49.89 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.016 -0.993 . . . . 0.0 110.738 -178.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.513 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 46.5 tptt -119.49 142.17 48.52 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.696 -1.138 . . . . 0.0 109.473 -176.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.4 ttmp? -65.85 141.16 58.36 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.629 0.252 . . . . 0.0 110.587 -178.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.609 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.3 mttt -77.74 178.76 7.1 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.112 0.482 . . . . 0.0 110.449 177.539 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.489 ' O ' ' HD2' ' A' ' 94' ' ' HIS . 77.2 mt -79.57 -4.76 52.96 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.166 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 51.0 mm-40 -81.64 79.86 8.12 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.288 177.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.489 ' HD2' ' O ' ' A' ' 92' ' ' LEU . 3.1 p80 -114.12 91.26 3.57 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.527 0.679 . . . . 0.0 109.743 176.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 34.9 m80 -113.42 118.21 33.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.286 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 58.9 m-70 68.52 177.46 0.26 Allowed 'General case' 0 N--CA 1.464 0.271 0 O-C-N 123.927 0.767 . . . . 0.0 109.739 -175.497 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 12.7 p80 -150.79 39.29 0.7 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 25.9 m170 64.06 -91.94 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.398 -171.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 20.9 t-160 . . . . . 0 C--O 1.245 0.827 0 CA-C-O 118.665 -0.683 . . . . 0.0 109.305 175.149 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.6 mtp . . . . . 0 N--CA 1.479 0.979 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -103.09 3.48 36.01 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.031 0.443 . . . . 0.0 111.317 -173.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 17.2 m -72.47 115.63 11.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.853 -176.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.8 136.08 4.66 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 121.178 -0.534 . . . . 0.0 112.067 179.155 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -163.07 158.53 22.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.535 0.207 . . . . 0.0 110.523 -179.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -130.06 143.54 50.85 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 176.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 10.0 m -113.97 110.21 31.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.652 0.739 . . . . 0.0 111.133 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.25 22.52 13.22 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.026 179.049 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 tt -58.89 108.43 0.66 Allowed 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.95 -176.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.45 155.38 26.41 Favored Glycine 0 N--CA 1.446 -0.649 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.456 179.232 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -177.53 143.53 0.36 Allowed 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 122.542 0.337 . . . . 0.0 110.374 -177.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.441 HD12 ' O ' ' A' ' 12' ' ' LEU . 3.5 pp -149.96 140.78 22.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.149 0.499 . . . . 0.0 111.127 178.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -169.4 98.88 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 177.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.3 p90 -129.97 121.05 25.8 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 112.948 0.721 . . . . 0.0 112.948 -170.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.5 t 50.2 86.15 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-N 114.336 -1.302 . . . . 0.0 113.244 170.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 27.8 m -113.47 139.86 36.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 172.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.6 t -154.16 109.84 3.2 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.969 0.89 . . . . 0.0 110.607 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -102.91 75.99 1.44 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.388 -0.824 . . . . 0.0 111.224 -177.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.9 m -89.94 145.75 7.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.334 177.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -65.98 -57.18 8.38 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 68' ' ' ASP . . . 66.63 -176.53 0.19 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.56 -0.746 . . . . 0.0 112.667 172.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.481 ' H ' ' HA ' ' A' ' 68' ' ' ASP . . . 55.17 59.52 3.94 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 114.93 -1.032 . . . . 0.0 111.538 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -104.97 161.11 14.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.065 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.74 HD13 HG23 ' A' ' 70' ' ' VAL . 26.3 mm -92.63 133.21 34.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.518 175.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.408 ' SD ' HG13 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -113.86 136.02 53.33 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.845 0.355 . . . . 0.0 111.245 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -69.37 158.6 34.76 Favored 'General case' 0 C--O 1.218 -0.597 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.596 174.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -62.66 -43.46 98.75 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -172.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.3 m -63.83 -38.07 89.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.41 . . . . 0.0 110.712 -178.365 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 35.5 t70 -77.41 -32.82 54.96 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.743 176.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.563 ' HA ' HG22 ' A' ' 33' ' ' VAL . 84.9 t80 -59.87 -49.66 76.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.522 178.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -60.67 -31.08 70.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.293 0.568 . . . . 0.0 110.588 179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -80.45 -37.78 31.31 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.711 179.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.586 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 33.0 m -85.21 -11.8 11.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 C-N-CA 120.815 -0.354 . . . . 0.0 111.334 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.02 -16.21 61.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.571 0.7 . . . . 0.0 110.035 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.5 t -87.51 -12.27 46.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.314 -0.857 . . . . 0.0 110.59 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -123.53 0.39 8.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.673 -175.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.586 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 77.1 m-85 -130.68 162.08 30.22 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 110.273 -0.269 . . . . 0.0 110.273 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 92.4 m -131.92 129.95 40.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.886 0.374 . . . . 0.0 111.745 -174.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.448 ' HB2' ' CE2' ' A' ' 88' ' ' TYR . 39.4 ttmt -72.63 129.76 39.0 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.354 179.343 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' HE3' ' A' ' 65' ' ' LYS . 21.4 pt -103.33 -4.3 9.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.139 0.495 . . . . 0.0 110.886 177.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.435 ' H ' ' HG2' ' A' ' 39' ' ' LYS . . . 142.41 174.88 15.22 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.516 176.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.8 m -105.4 151.46 24.19 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 177.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.527 HG13 HD22 ' A' ' 58' ' ' LEU . 17.5 pt -126.53 165.01 25.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 176.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.607 ' HB3' HG22 ' A' ' 84' ' ' THR . 2.7 p -156.79 171.41 20.44 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-O 121.196 0.522 . . . . 0.0 111.927 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 2.6 t -155.31 150.76 27.2 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.1 -0.954 . . . . 0.0 110.044 174.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 8.8 t -175.0 144.72 0.77 Allowed 'General case' 0 C--N 1.316 -0.874 0 CA-C-N 115.267 -0.879 . . . . 0.0 109.983 -175.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 151.82 -97.34 0.17 Allowed Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.381 -0.914 . . . . 0.0 112.11 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -157.08 88.4 1.02 Allowed 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.602 0.715 . . . . 0.0 110.919 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 60.6 mtt -145.58 -173.23 4.07 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.588 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.4 m -94.52 153.43 40.32 Favored Pre-proline 0 C--N 1.322 -0.612 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 168.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -56.86 -32.0 90.69 Favored 'Trans proline' 0 C--N 1.343 0.277 0 C-N-CA 122.118 1.879 . . . . 0.0 111.906 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 73.0 mt -71.02 -41.45 70.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.294 176.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 72.0 m-20 -62.97 -39.61 95.21 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.162 0.506 . . . . 0.0 109.907 178.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.673 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -64.16 -42.47 96.72 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.546 176.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 72.4 mtt180 -63.2 -46.89 84.93 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.228 178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -60.46 -36.65 78.76 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.608 177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.737 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.6 t70 -62.38 -45.93 90.91 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 178.488 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.527 HD22 HG13 ' A' ' 43' ' ' ILE . 87.6 mt -62.91 -52.54 62.67 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.088 178.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 37.5 mt -62.12 -45.35 98.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.375 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.658 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 48.1 mtpt -73.4 -35.53 65.89 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.106 -177.591 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.737 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 4.4 ttpt -66.39 -39.53 89.12 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-O 120.907 0.384 . . . . 0.0 110.667 178.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.92 -40.29 76.05 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.856 172.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -68.54 -35.35 77.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.688 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.658 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 16.7 mm-40 -56.3 -36.74 69.0 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.531 177.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.49 ' HE3' HD12 ' A' ' 40' ' ' ILE . 32.5 ttpt -91.81 -26.21 18.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.906 0.384 . . . . 0.0 110.25 176.233 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 100.35 60.27 0.83 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.796 -0.716 . . . . 0.0 113.289 175.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.449 ' HA ' ' HG2' ' A' ' 89' ' ' LYS . . . -91.04 164.3 14.0 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.755 0.312 . . . . 0.0 110.293 174.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' HA ' ' H ' ' A' ' 22' ' ' ALA . 11.3 m-20 -115.79 -30.98 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.443 0.639 . . . . 0.0 110.026 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.565 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 92.5 t -125.12 137.92 56.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 115.418 -0.81 . . . . 0.0 108.961 177.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.74 HG23 HD13 ' A' ' 24' ' ' ILE . 28.7 m -130.07 142.38 43.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 120.917 0.389 . . . . 0.0 110.157 177.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 46.3 t -129.52 106.08 13.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.115 -0.698 . . . . 0.0 109.115 177.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.83 88.4 1.33 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.006 179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.444 ' H ' ' HA ' ' A' ' 85' ' ' ALA . 0.2 OUTLIER -61.13 -44.68 96.96 Favored 'General case' 0 N--CA 1.446 -0.635 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.151 -178.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.5 m 67.56 177.88 0.24 Allowed 'General case' 0 CA--C 1.534 0.329 0 O-C-N 124.159 0.912 . . . . 0.0 111.829 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -145.23 152.27 24.35 Favored Glycine 0 N--CA 1.431 -1.676 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 177.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.77 64.91 3.13 Favored 'General case' 0 C--N 1.313 -1.021 0 CA-C-O 121.893 0.854 . . . . 0.0 109.636 -177.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.637 ' OG1' ' HB2' ' A' ' 82' ' ' HIS . 2.7 m -129.47 -71.89 0.61 Allowed 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 114.728 -1.124 . . . . 0.0 110.455 178.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 70.24 -50.13 0.65 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.804 179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -48.78 -70.28 0.09 Allowed 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 122.856 0.462 . . . . 0.0 111.909 -177.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 80' ' ' LYS . 15.6 ptpt -106.07 5.47 30.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.698 0.761 . . . . 0.0 109.633 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 54' ' ' ALA . 6.0 mt 63.66 148.85 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-N 113.871 -1.513 . . . . 0.0 112.826 177.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.637 ' HB2' ' OG1' ' A' ' 77' ' ' THR . 1.4 m-70 -156.46 28.92 0.34 Allowed 'General case' 0 C--N 1.315 -0.912 0 CA-C-N 114.591 -1.186 . . . . 0.0 107.816 177.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.589 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -76.0 139.55 24.45 Favored Glycine 0 N--CA 1.445 -0.72 0 CA-C-N 114.885 -1.052 . . . . 0.0 113.294 -169.01 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.607 HG22 ' HB3' ' A' ' 44' ' ' SER . 62.0 p -116.82 166.84 11.69 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.112 -0.544 . . . . 0.0 109.878 176.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.487 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -150.71 133.85 16.11 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 174.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -103.19 123.27 46.4 Favored 'General case' 0 N--CA 1.445 -0.709 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.624 HG22 HG12 ' A' ' 70' ' ' VAL . 24.3 pt -115.12 152.25 16.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.433 0.635 . . . . 0.0 111.792 -173.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.565 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 45.8 m-85 -137.37 155.18 49.69 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.792 -174.083 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.449 ' HG2' ' HA ' ' A' ' 67' ' ' ALA . 20.2 mtpp -116.34 159.12 22.38 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.165 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.468 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 82.9 tttt -82.95 136.72 34.45 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 115.043 -0.98 . . . . 0.0 110.652 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -98.09 -164.03 1.1 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.709 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.474 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.4 pt? -117.13 18.22 14.62 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.451 -1.314 . . . . 0.0 107.451 173.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -124.49 119.4 29.02 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 113.842 -1.526 . . . . 0.0 109.769 -172.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 86.1 m-70 -141.35 179.2 6.92 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -74.42 -175.67 2.43 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.689 171.146 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 88.3 m-70 -74.46 -33.6 62.95 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 59.4 t60 -73.84 112.6 10.11 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.86 -0.609 . . . . 0.0 109.998 175.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -105.17 67.89 0.8 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.804 0.298 . . . . 0.0 111.804 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 29.8 t-80 . . . . . 0 C--O 1.25 1.09 0 CA-C-O 118.625 -0.702 . . . . 0.0 109.509 174.392 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 53.3 tpp . . . . . 0 N--CA 1.481 1.11 0 CA-C-O 120.518 0.199 . . . . 0.0 110.771 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -92.38 75.52 5.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.708 0.766 . . . . 0.0 110.773 -177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 75.5 m -154.05 116.14 4.29 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.146 -178.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.67 68.19 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.199 -1.001 . . . . 0.0 112.628 -178.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -113.02 107.77 16.42 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 172.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.58 ' O ' ' HD2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER -119.52 115.0 23.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.829 0.823 . . . . 0.0 111.052 177.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 7' ' ' VAL . 4.9 p -169.93 100.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.324 176.239 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -114.62 -4.76 12.77 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.782 -0.645 . . . . 0.0 111.252 -174.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 96.8 mt -131.63 142.23 49.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.245 178.363 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.78 -42.18 1.96 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.73 177.173 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -87.99 -176.19 5.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 122.821 -0.223 . . . . 0.0 110.918 -179.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.7 tm? 69.66 103.54 0.06 Allowed 'General case' 0 N--CA 1.466 0.353 0 O-C-N 123.996 0.81 . . . . 0.0 111.241 178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.57 -50.91 5.52 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 174.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.435 ' CE2' HG22 ' A' ' 16' ' ' VAL . 12.5 p90 -161.94 139.67 8.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.862 173.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.567 HG21 ' H ' ' A' ' 97' ' ' HIS . 34.5 t -70.96 96.07 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.113 0.482 . . . . 0.0 111.031 -176.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.573 HG11 ' HE2' ' A' ' 90' ' ' LYS . 22.0 t -78.53 104.34 6.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.457 177.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 18' ' ' ASN . 32.9 m -90.15 74.97 7.09 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-O 121.416 0.627 . . . . 0.0 109.834 176.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.416 ' HB2' ' O ' ' A' ' 17' ' ' THR . 36.0 t-20 176.01 142.74 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 114.777 -1.101 . . . . 0.0 108.553 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.2 m -72.79 -16.67 18.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 173.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.838 ' HB3' ' HB2' ' A' ' 68' ' ' ASP . 4.5 t80 73.02 115.48 0.06 Allowed 'General case' 0 C--O 1.234 0.248 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.499 173.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -80.86 152.66 28.06 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.719 175.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -49.29 118.05 2.5 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.945 0.778 . . . . 0.0 112.276 -174.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 47.8 tt0 -139.52 154.38 47.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.659 178.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 44.8 mm -92.23 125.48 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.71 0.291 . . . . 0.0 110.242 177.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.461 ' HA ' ' CE ' ' A' ' 25' ' ' MET . 12.6 mmt -99.46 156.12 17.2 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.673 179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 53.9 mttp -66.21 156.98 32.58 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 173.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HA ' ' HD3' ' A' ' 27' ' ' LYS . 0.1 OUTLIER -64.12 -33.3 75.46 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.045 0.45 . . . . 0.0 110.686 -176.348 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 5.8 p -75.67 -51.0 13.75 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.814 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.47 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.9 m-20 -56.96 -39.02 73.8 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.276 176.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.464 ' HA ' HG22 ' A' ' 33' ' ' VAL . 51.4 t80 -56.32 -44.8 80.3 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.269 0.355 . . . . 0.0 110.999 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -66.21 -31.54 72.43 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.372 0.606 . . . . 0.0 110.751 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -83.01 -32.83 26.71 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.57 -0.741 . . . . 0.0 111.7 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.7 m -85.71 -21.33 7.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 C-N-CA 121.067 -0.253 . . . . 0.0 110.989 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.437 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -57.63 -24.77 58.24 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-O 121.22 0.533 . . . . 0.0 110.933 178.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 30.4 t -56.81 -41.67 78.19 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.631 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -99.14 26.71 5.64 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.676 0.274 . . . . 0.0 110.888 -177.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 5.1 m-30 -121.49 169.75 10.34 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.715 0.635 . . . . 0.0 112.715 -170.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -147.89 130.82 16.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.199 -0.91 . . . . 0.0 109.302 176.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -89.15 123.19 33.18 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.096 0.474 . . . . 0.0 110.898 -176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.6 pt -95.8 -4.92 10.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.845 -177.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.98 165.17 10.37 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.506 -0.854 . . . . 0.0 112.368 177.268 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -106.9 155.44 19.76 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 110.038 -0.356 . . . . 0.0 110.038 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.401 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -125.99 163.29 27.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 175.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.402 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 2.2 p -161.24 168.65 23.7 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 112.184 0.439 . . . . 0.0 112.184 -176.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.449 HG23 HD21 ' A' ' 58' ' ' LEU . 9.1 p -145.9 142.79 29.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.945 177.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.6 m -153.73 128.41 9.38 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.222 -0.299 . . . . 0.0 110.67 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 143.2 -112.22 0.7 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.079 -0.581 . . . . 0.0 111.842 176.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -136.94 116.89 13.23 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 178.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.475 ' HB2' HD11 ' A' ' 81' ' ' ILE . 0.9 OUTLIER -143.02 174.29 10.8 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.137 -0.483 . . . . 0.0 109.867 -176.55 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.652 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 15.5 m -99.17 143.98 27.4 Favored Pre-proline 0 C--N 1.318 -0.803 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 167.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_endo -56.33 -53.66 5.0 Favored 'Trans proline' 0 CA--C 1.529 0.275 0 C-N-CA 122.434 2.089 . . . . 0.0 113.416 -171.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.562 ' HA ' ' HD3' ' A' ' 55' ' ' ARG . 7.8 mp -75.05 -31.73 61.37 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.811 0.339 . . . . 0.0 110.547 -178.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.652 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 7.8 m-20 -70.47 -34.73 72.72 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.718 -178.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.07 -36.65 75.11 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.061 0.457 . . . . 0.0 110.086 174.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' HD2' ' OE1' ' A' ' 76' ' ' GLN . 22.1 mtp180 -60.49 -42.48 96.41 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.575 174.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -56.87 -43.92 81.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.57 175.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.677 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 12.9 t70 -65.24 -41.55 94.23 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.423 0.63 . . . . 0.0 110.114 -178.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 HD21 HG23 ' A' ' 45' ' ' THR . 73.8 mt -70.07 -51.16 34.1 Favored 'General case' 0 C--N 1.313 -0.991 0 CA-C-N 115.124 -0.944 . . . . 0.0 111.288 -179.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 59.9 mt -69.51 -40.72 80.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.477 -174.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 45.1 mmtm -70.18 -35.53 74.03 Favored 'General case' 0 C--O 1.227 -0.105 0 C-N-CA 120.492 -0.483 . . . . 0.0 110.54 -179.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.677 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.7 ttpt -71.74 -40.83 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.479 -0.328 . . . . 0.0 110.481 178.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -56.74 -45.14 82.17 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.715 171.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -61.75 -43.05 99.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.394 175.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 25.6 mt-10 -61.81 -41.78 98.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.66 -0.7 . . . . 0.0 111.572 179.449 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -75.28 -25.92 58.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.061 0.458 . . . . 0.0 110.268 179.168 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.51 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.7 88.43 1.62 Allowed Glycine 0 N--CA 1.447 -0.587 0 CA-C-N 115.829 -0.623 . . . . 0.0 112.6 175.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.516 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . . . -128.49 149.37 50.62 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.838 ' HB2' ' HB3' ' A' ' 20' ' ' TYR . 0.1 OUTLIER -93.17 -39.01 11.26 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.329 0.585 . . . . 0.0 109.477 179.789 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG23 ' OD2' ' A' ' 68' ' ' ASP . 43.1 t -126.49 141.75 45.06 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.194 175.797 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG13 HG22 ' A' ' 87' ' ' ILE . 48.6 t -119.51 142.79 33.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.443 177.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.5 t -123.12 113.41 37.76 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 N-CA-C 109.587 -0.523 . . . . 0.0 109.587 176.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.4 mt -84.02 94.97 8.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.857 0.36 . . . . 0.0 110.635 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.45 1.53 55.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.367 0.603 . . . . 0.0 111.712 177.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 71.1 m -54.63 144.27 22.28 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.072 -0.967 . . . . 0.0 113.082 -178.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -91.02 87.59 1.37 Allowed Glycine 0 N--CA 1.444 -0.777 0 N-CA-C 109.722 -1.351 . . . . 0.0 109.722 169.023 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.609 ' OE1' ' HD2' ' A' ' 55' ' ' ARG . 22.8 tt0 -83.06 79.11 9.47 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.835 0.826 . . . . 0.0 111.334 -170.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.558 ' HB ' ' O ' ' A' ' 80' ' ' LYS . 11.8 m -68.03 -78.62 0.06 Allowed 'General case' 0 C--N 1.307 -1.243 0 CA-C-N 114.389 -1.278 . . . . 0.0 109.583 170.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -177.81 -83.34 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.869 174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -84.31 -49.2 8.97 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 121.172 0.51 . . . . 0.0 109.721 -178.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.558 ' O ' ' HB ' ' A' ' 77' ' ' THR . 55.9 pttt -94.39 131.29 40.21 Favored 'General case' 0 N--CA 1.444 -0.759 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 172.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.475 HD11 ' HB2' ' A' ' 49' ' ' MET . 12.7 pt -153.44 135.2 5.64 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.248 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.328 -173.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 14.2 t-80 -95.11 86.43 4.59 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 166.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.417 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . -83.31 142.69 21.41 Favored Glycine 0 N--CA 1.44 -1.08 0 C-N-CA 120.604 -0.808 . . . . 0.0 112.497 -174.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 2.2 m -155.26 151.14 27.72 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 175.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.401 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 132.54 10.13 Favored 'General case' 0 C--N 1.307 -1.242 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 176.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -107.8 116.66 32.35 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.095 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.449 HG22 HG13 ' A' ' 70' ' ' VAL . 24.6 pt -105.34 152.65 7.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.24 -176.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 64.6 m-85 -136.71 160.74 37.92 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.619 -175.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.516 ' HD3' ' HA ' ' A' ' 67' ' ' ALA . 8.4 mmmm -128.62 158.79 37.51 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.424 177.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.573 ' HE2' HG11 ' A' ' 16' ' ' VAL . 13.7 mptt -64.1 150.87 44.63 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.907 0.384 . . . . 0.0 110.032 170.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 37.1 mttp -74.76 175.24 8.15 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.985 175.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.614 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.7 pt? -84.15 -22.79 30.9 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.667 0.746 . . . . 0.0 109.63 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -83.21 111.98 19.43 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.728 -1.123 . . . . 0.0 110.283 178.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -115.49 -38.24 3.81 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 172.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 5.7 t-160 52.47 84.11 0.05 Allowed 'General case' 0 N--CA 1.463 0.22 0 O-C-N 124.259 0.974 . . . . 0.0 111.325 171.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 12.3 t60 -64.59 109.09 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.33 0.586 . . . . 0.0 110.98 -174.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.567 ' H ' HG21 ' A' ' 15' ' ' VAL . 53.3 t-80 -83.9 116.7 22.9 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.268 178.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -119.04 160.16 22.55 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 175.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 . . . . . 0 C--O 1.247 0.961 0 CA-C-O 118.362 -0.828 . . . . 0.0 109.535 177.109 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ptt? . . . . . 0 N--CA 1.481 1.079 0 CA-C-O 121.114 0.483 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -155.48 104.68 2.4 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.862 178.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 27.1 m -105.39 105.47 15.52 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 120.981 0.419 . . . . 0.0 110.113 177.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.16 20.14 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.833 -179.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -66.92 97.91 0.52 Allowed 'General case' 0 C--O 1.236 0.351 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -107.96 119.12 38.55 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.345 -172.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.6 p -161.07 119.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.352 0.596 . . . . 0.0 110.692 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.432 ' O ' ' HG2' ' A' ' 8' ' ' MET . 0.0 OUTLIER -129.25 95.19 3.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.497 0.665 . . . . 0.0 110.531 178.041 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.7 pp -134.12 156.42 48.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.393 178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 157.99 98.67 0.15 Allowed Glycine 0 N--CA 1.446 -0.679 0 N-CA-C 111.501 -0.639 . . . . 0.0 111.501 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -146.31 108.71 4.46 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.82 0.343 . . . . 0.0 110.52 -177.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 pp -157.8 131.3 7.79 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.406 179.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -151.16 81.53 1.31 Allowed 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.041 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 93.2 m-85 -128.32 106.35 8.96 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.362 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 39.9 t -102.64 94.45 3.25 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 178.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 55.1 t -123.02 106.6 17.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.572 -176.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.5 m -148.6 91.18 1.86 Allowed 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 175.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -76.33 -48.3 20.51 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.712 -173.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.509 HG13 ' NZ ' ' A' ' 90' ' ' LYS . 5.3 p -127.52 134.58 65.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 120.772 0.32 . . . . 0.0 110.456 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.44 ' OH ' ' HA2' ' A' ' 66' ' ' GLY . 83.6 t80 -130.76 98.69 4.7 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.577 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.12 121.02 4.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.571 -0.286 . . . . 0.0 110.864 -175.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.608 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -63.39 100.4 0.25 Allowed 'General case' 0 C--O 1.234 0.278 0 O-C-N 123.581 0.551 . . . . 0.0 110.967 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.504 ' HB3' HG22 ' A' ' 69' ' ' VAL . 3.8 tp10 -93.2 153.77 18.43 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.338 -176.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 29.6 mm -95.46 154.51 3.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.514 ' HE1' HG11 ' A' ' 33' ' ' VAL . 22.1 mmt -130.54 144.36 51.36 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.351 0.596 . . . . 0.0 112.598 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 54.1 mtmt -82.09 152.32 26.63 Favored 'General case' 0 N--CA 1.449 -0.516 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 163.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -57.71 -39.23 76.75 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 118.569 0.622 . . . . 0.0 111.27 -176.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 p -60.16 -46.6 89.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.199 179.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 39.9 m-20 -68.81 -39.87 79.84 Favored 'General case' 0 C--O 1.219 -0.541 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 175.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.458 ' HA ' HG22 ' A' ' 33' ' ' VAL . 39.0 t80 -55.5 -46.52 76.93 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.95 -0.568 . . . . 0.0 112.025 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -67.09 -32.06 72.96 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.112 0.482 . . . . 0.0 110.726 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 mptt -76.13 -42.38 47.09 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.163 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.514 HG11 ' HE1' ' A' ' 25' ' ' MET . 24.3 m -80.58 -12.02 12.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.032 -177.236 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.54 -20.03 64.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.189 0.519 . . . . 0.0 109.934 173.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.1 t -89.04 -16.4 31.71 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.507 -0.77 . . . . 0.0 110.502 178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HB3' ' O ' ' A' ' 94' ' ' HIS . 7.8 mt-10 -113.31 7.4 17.71 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-O 121.623 0.725 . . . . 0.0 110.518 -177.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -132.38 -179.7 5.6 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.39 -176.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.8 m -142.6 128.96 20.01 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.746 0.307 . . . . 0.0 111.237 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -64.31 130.51 44.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.024 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 pt -115.92 -6.48 11.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 120.693 0.282 . . . . 0.0 111.329 177.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 135.15 168.26 11.58 Favored Glycine 0 N--CA 1.446 -0.676 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.505 177.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -106.3 152.58 23.36 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.9 pt -125.6 163.47 26.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 177.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.467 ' HB3' HG23 ' A' ' 84' ' ' THR . 2.3 p -157.09 160.56 38.99 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-O 121.321 0.581 . . . . 0.0 111.581 177.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.449 HG23 ' HG ' ' A' ' 58' ' ' LEU . 1.0 OUTLIER -113.2 130.5 56.2 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.124 -0.943 . . . . 0.0 109.954 175.084 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 19.7 m -153.04 118.24 5.18 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 120.753 0.311 . . . . 0.0 110.308 179.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 161.81 -119.29 0.87 Allowed Glycine 0 N--CA 1.444 -0.769 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -134.96 99.02 4.17 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 122.296 0.238 . . . . 0.0 110.602 176.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.5 ' HB2' HD12 ' A' ' 81' ' ' ILE . 21.0 mmt -150.94 -178.47 6.61 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.49 144.36 27.8 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 170.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo -55.85 -52.01 8.39 Favored 'Trans proline' 0 N--CA 1.475 0.411 0 C-N-CA 123.051 2.501 . . . . 0.0 113.432 -171.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 97.3 mt -62.78 -37.1 85.32 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.14 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -70.08 -34.58 73.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.905 0.383 . . . . 0.0 110.26 177.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.428 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.85 -38.62 89.33 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.323 175.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -59.25 -53.12 61.84 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 174.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.8 -43.19 76.64 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.898 179.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.542 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.0 t70 -68.48 -36.95 79.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.397 -178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.449 ' HG ' HG23 ' A' ' 45' ' ' THR . 23.6 mt -66.11 -50.79 62.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.75 177.584 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 20.3 mt -62.98 -36.76 77.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.109 -177.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.1 ttmm -68.74 -49.41 59.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.533 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.542 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 7.3 ttpt -67.48 -36.41 81.06 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.164 -175.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -55.77 -47.83 76.34 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 170.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -63.29 -35.93 82.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.225 0.536 . . . . 0.0 109.918 178.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 56.6 mt-10 -68.49 -38.27 80.83 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.879 177.03 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 39.6 tttm -71.43 -25.42 62.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.434 -177.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.44 ' HA2' ' OH ' ' A' ' 20' ' ' TYR . . . 113.89 32.65 2.01 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.555 -0.831 . . . . 0.0 113.03 177.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.661 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -93.11 149.27 21.34 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.722 0.296 . . . . 0.0 111.058 178.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.608 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 30.9 t70 -110.57 -33.74 6.5 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.571 . . . . 0.0 110.41 179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 23' ' ' GLU . 9.6 t -126.62 141.6 45.57 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.943 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.266 175.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.642 HG12 HG22 ' A' ' 87' ' ' ILE . 34.6 m -122.43 142.54 38.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-O 120.974 0.416 . . . . 0.0 110.022 179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.1 t -117.48 103.01 14.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 176.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 95.6 mt -78.79 86.12 4.74 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.748 -177.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -77.97 -17.32 57.29 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.434 0.635 . . . . 0.0 109.793 173.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 43.7 p -50.23 126.02 13.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.459 -1.246 . . . . 0.0 111.673 178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.24 -85.47 0.23 Allowed Glycine 0 N--CA 1.445 -0.754 0 C-N-CA 120.121 -1.037 . . . . 0.0 111.158 174.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -159.91 -60.62 0.06 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.321 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 4.5 m 52.82 86.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 O-C-N 124.166 0.916 . . . . 0.0 111.594 174.066 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -90.99 -22.02 21.0 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.625 -172.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -44.61 -73.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 O-C-N 124.006 0.816 . . . . 0.0 111.408 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -143.96 14.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.686 0.755 . . . . 0.0 109.207 174.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.517 HG22 ' H ' ' A' ' 83' ' ' GLY . 6.8 mt 65.81 149.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.161 0 CA-C-N 113.972 -1.467 . . . . 0.0 112.733 179.207 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -164.43 31.08 0.07 Allowed 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 113.981 -1.463 . . . . 0.0 107.619 177.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.517 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -68.81 141.85 37.17 Favored Glycine 0 CA--C 1.503 -0.718 0 CA-C-N 115.014 -0.994 . . . . 0.0 111.971 -174.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.467 HG23 ' HB3' ' A' ' 44' ' ' SER . 0.2 OUTLIER -118.4 148.65 42.32 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-O 120.785 0.326 . . . . 0.0 110.54 -178.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -142.06 132.64 25.36 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 176.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -108.77 122.47 47.22 Favored 'General case' 0 C--N 1.316 -0.853 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 -177.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.661 HD12 ' HB2' ' A' ' 67' ' ' ALA . 25.9 pt -115.82 153.75 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.693 0.758 . . . . 0.0 113.022 -168.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -131.5 153.3 49.93 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 114.893 -1.049 . . . . 0.0 110.457 -179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -109.24 148.32 31.16 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 108.658 -0.867 . . . . 0.0 108.658 168.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.509 ' NZ ' HG13 ' A' ' 19' ' ' VAL . 3.6 ptmt -72.94 156.32 38.97 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.985 0.422 . . . . 0.0 110.645 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 41.8 mttm -91.91 176.72 6.41 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.221 0.534 . . . . 0.0 110.439 177.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.569 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.8 pt? -107.24 6.15 28.33 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 175.582 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -101.96 -120.34 0.18 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.257 -1.338 . . . . 0.0 110.309 -175.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.402 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 10.2 m-70 -58.68 142.39 49.84 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.373 -0.831 . . . . 0.0 111.659 177.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 48.9 p-80 -171.34 112.63 0.36 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.334 174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -48.31 -52.68 20.37 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.96 -175.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -176.69 -31.53 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.646 0.736 . . . . 0.0 109.2 -176.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -168.49 -48.22 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 179.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.422 ' HB3' ' HE1' ' A' ' 25' ' ' MET . 3.5 p-80 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 113.632 -1.622 . . . . 0.0 108.34 166.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.0 mtp . . . . . 0 N--CA 1.482 1.142 0 CA-C-O 121.134 0.492 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -94.6 170.21 9.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.165 -172.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.5 m 77.35 132.22 0.05 Allowed 'General case' 0 CA--C 1.533 0.311 0 O-C-N 123.895 0.747 . . . . 0.0 111.984 176.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -85.96 156.68 30.12 Favored Glycine 0 N--CA 1.45 -0.388 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 176.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -128.93 111.3 12.89 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.364 0.602 . . . . 0.0 112.153 -174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -114.39 101.53 9.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.793 -0.639 . . . . 0.0 109.751 169.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 19.7 m -81.33 129.6 37.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.061 0.458 . . . . 0.0 111.147 -179.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -141.88 115.83 9.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.318 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.474 ' HB3' ' HE2' ' A' ' 91' ' ' LYS . 4.5 pp -125.64 155.16 41.23 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 110.09 -0.337 . . . . 0.0 110.09 175.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -143.55 29.97 1.99 Allowed Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 120.727 -0.749 . . . . 0.0 111.554 179.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.477 ' CB ' ' HG2' ' A' ' 36' ' ' GLU . . . -100.02 169.74 8.98 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.666 0.269 . . . . 0.0 110.537 -178.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' HG ' ' HB3' ' A' ' 95' ' ' HIS . 32.1 tp -160.69 -37.3 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.028 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.36 -143.31 0.06 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.749 -178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 46.1 p90 -165.85 140.28 4.61 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG13 HG12 ' A' ' 16' ' ' VAL . 7.1 p -80.4 -42.17 21.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.154 176.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.475 HG22 ' H ' ' A' ' 18' ' ' ASN . 9.9 p -176.05 149.21 0.32 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.233 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 -178.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.4 t -86.88 -33.39 19.79 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.095 -0.242 . . . . 0.0 110.536 176.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.475 ' H ' HG22 ' A' ' 16' ' ' VAL . 51.1 t30 70.61 133.41 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.644 0 O-C-N 124.041 0.838 . . . . 0.0 111.43 179.634 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.2 p -76.95 -25.19 15.51 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.209 0 CA-C-O 121.259 0.552 . . . . 0.0 110.513 179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -90.39 -170.26 2.68 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 172.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.544 ' O ' ' HA ' ' A' ' 68' ' ' ASP . . . -88.93 -59.39 2.24 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 172.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.594 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -97.16 150.54 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.783 -177.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -150.97 152.71 33.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.234 176.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.846 HD13 HG23 ' A' ' 70' ' ' VAL . 29.6 mm -82.48 142.05 14.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.102 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.0 mmt -129.5 139.41 51.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.004 0.43 . . . . 0.0 111.618 178.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.467 ' HE3' ' OD1' ' A' ' 29' ' ' ASP . 40.5 mtmt -59.89 156.49 14.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.117 171.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.52 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -71.88 -22.54 61.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.74 0.305 . . . . 0.0 111.792 -174.637 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 14.3 p -69.33 -50.06 49.97 Favored 'General case' 0 CA--C 1.512 -0.506 0 CA-C-O 121.168 0.509 . . . . 0.0 110.228 174.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.467 ' OD1' ' HE3' ' A' ' 26' ' ' LYS . 1.5 m-20 -72.21 -29.7 64.22 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.164 -0.926 . . . . 0.0 109.321 179.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.534 ' HA ' HG22 ' A' ' 33' ' ' VAL . 60.4 t80 -56.6 -48.32 77.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 175.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -63.07 -33.58 75.74 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.164 0.507 . . . . 0.0 110.747 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -78.27 -37.94 43.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.656 179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.659 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 22.5 m -82.95 -8.75 11.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 120.716 0.293 . . . . 0.0 110.718 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.72 -14.91 56.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.493 0.663 . . . . 0.0 109.977 172.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 t -93.32 -25.39 17.76 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.574 178.224 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' HG2' ' CB ' ' A' ' 11' ' ' ALA . 15.7 mt-10 -99.15 -7.99 25.8 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 120.894 0.378 . . . . 0.0 111.249 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.659 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 86.7 m-85 -129.87 163.91 25.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.75 0.31 . . . . 0.0 111.169 -173.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.9 m -127.61 152.5 47.58 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.125 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG3' ' H ' ' A' ' 41' ' ' GLY . 8.7 tppt? -78.67 133.46 37.21 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 123.136 0.574 . . . . 0.0 110.452 -179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.802 HD13 ' HG2' ' A' ' 89' ' ' LYS . 22.7 pt -125.54 15.05 4.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.962 0.411 . . . . 0.0 111.474 176.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' H ' ' HG3' ' A' ' 39' ' ' LYS . . . 110.86 167.79 19.08 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.753 -0.658 . . . . 0.0 112.702 175.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -106.4 158.25 17.03 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 pt -119.93 164.34 16.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 171.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 17.3 t -149.79 178.04 9.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.764 0.316 . . . . 0.0 110.476 -175.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.711 HG21 ' HB1' ' A' ' 54' ' ' ALA . 1.6 p -127.8 131.28 49.59 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.767 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.4 m -154.87 131.96 10.94 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.333 -0.394 . . . . 0.0 109.952 178.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 140.07 -6.87 2.88 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.518 -0.848 . . . . 0.0 112.586 -176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.721 ' HG2' ' HB2' ' A' ' 80' ' ' LYS . 39.5 mt-10 61.45 93.13 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-O 121.465 0.65 . . . . 0.0 111.305 179.202 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 83.0 mtp -135.64 -167.44 2.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.907 -174.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.6 m -82.04 144.02 50.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 172.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.57 -42.5 26.28 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.256 1.971 . . . . 0.0 112.775 -176.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.521 ' O ' ' HG3' ' A' ' 56' ' ' GLU . 82.7 mt -69.47 -39.61 77.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.017 0.437 . . . . 0.0 110.288 177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.82 -38.87 92.69 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.252 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.711 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -63.93 -43.09 96.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.78 174.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.504 ' HG2' HD11 ' A' ' 59' ' ' ILE . 16.8 ttt180 -58.4 -51.62 69.04 Favored 'General case' 0 N--CA 1.437 -1.122 0 CA-C-N 115.0 -1.0 . . . . 0.0 110.356 -178.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 52' ' ' LEU . 41.4 mt-10 -60.75 -36.41 78.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.046 -177.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.654 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 26.4 t70 -67.69 -43.52 79.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.102 0.477 . . . . 0.0 110.092 178.487 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.425 HD11 HG23 ' A' ' 45' ' ' THR . 34.7 mt -64.28 -49.42 71.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.505 -0.771 . . . . 0.0 110.967 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.504 HD11 ' HG2' ' A' ' 55' ' ' ARG . 53.3 mt -63.58 -46.35 95.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.336 -0.847 . . . . 0.0 111.287 -175.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 13.4 ptmm? -69.65 -40.8 76.25 Favored 'General case' 0 C--O 1.218 -0.562 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.516 -178.038 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.654 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.0 ttpt -68.08 -42.0 81.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.652 0.263 . . . . 0.0 111.392 -175.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.583 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -59.76 -47.31 86.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.108 0.48 . . . . 0.0 110.563 175.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.94 -39.4 91.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.53 176.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -74.31 -26.12 59.98 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.336 -0.847 . . . . 0.0 112.253 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 30.7 ttpt -73.04 -21.02 60.87 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.6 -1.86 15.69 Favored Glycine 0 N--CA 1.445 -0.715 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.597 173.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.526 ' HB2' HD11 ' A' ' 40' ' ' ILE . . . -56.29 148.36 18.79 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.901 0.35 . . . . 0.0 111.231 -176.141 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.544 ' HA ' ' O ' ' A' ' 21' ' ' ALA . 7.6 m-20 -98.35 -37.89 9.46 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.38 0.609 . . . . 0.0 110.627 -178.617 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.1 t -125.41 138.86 53.01 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.77 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.846 HG23 HD13 ' A' ' 24' ' ' ILE . 16.8 m -123.63 142.25 40.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.022 0.439 . . . . 0.0 110.301 178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.9 t -124.69 109.79 23.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.91 -0.586 . . . . 0.0 109.936 178.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 92.1 mt -81.46 77.19 8.35 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.302 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 4.0 p -62.21 -41.16 98.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.312 178.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.7 m 60.43 -172.8 0.13 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.209 -0.905 . . . . 0.0 112.015 174.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -141.97 -153.06 5.83 Favored Glycine 0 N--CA 1.433 -1.538 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 173.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 39.4 tt0 -146.16 50.28 1.17 Allowed 'General case' 0 C--N 1.312 -1.034 0 CA-C-O 122.069 0.937 . . . . 0.0 110.824 -178.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 9.4 m -132.19 78.85 1.83 Allowed 'General case' 0 C--N 1.313 -0.987 0 CA-C-N 114.763 -1.108 . . . . 0.0 109.066 174.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.33 -16.81 61.88 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.076 -172.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -55.75 -63.95 1.01 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.345 -179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.721 ' HB2' ' HG2' ' A' ' 48' ' ' GLU . 0.6 OUTLIER -105.61 -9.08 17.57 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.407 0.622 . . . . 0.0 110.603 -179.754 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 8.5 mt 63.2 148.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 114.187 -1.37 . . . . 0.0 111.157 -171.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -166.2 29.05 0.04 OUTLIER 'General case' 0 C--N 1.315 -0.932 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.41 141.42 27.72 Favored Glycine 0 N--CA 1.442 -0.918 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.876 -176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 31.8 p -112.56 156.89 21.88 Favored 'General case' 0 C--N 1.313 -1.007 0 CA-C-O 120.861 0.362 . . . . 0.0 110.681 -179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -136.44 132.49 35.5 Favored 'General case' 0 C--N 1.315 -0.928 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 171.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -108.63 125.58 52.02 Favored 'General case' 0 C--N 1.315 -0.93 0 N-CA-C 108.987 -0.746 . . . . 0.0 108.987 -176.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.81 HG22 HG12 ' A' ' 70' ' ' VAL . 18.4 pt -116.0 153.17 17.63 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.809 0 CA-C-O 121.464 0.649 . . . . 0.0 112.722 -169.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.411 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 74.1 m-85 -131.9 149.64 52.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.074 -0.966 . . . . 0.0 110.999 -176.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.802 ' HG2' HD13 ' A' ' 40' ' ' ILE . 21.0 mmmt -109.92 159.54 17.16 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.156 176.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.0 mttp -63.66 157.71 23.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.386 0.613 . . . . 0.0 110.535 172.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.474 ' HE2' ' HB3' ' A' ' 9' ' ' LEU . 30.5 mttp -95.55 173.47 7.48 Favored 'General case' 0 C--N 1.308 -1.199 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.728 176.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.712 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.2 pt? -93.43 -3.8 52.48 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.287 -0.869 . . . . 0.0 109.922 -176.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -82.52 116.83 22.12 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 173.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -145.2 106.53 4.2 Favored 'General case' 0 C--N 1.314 -0.97 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 -177.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.499 ' HB3' ' HG ' ' A' ' 12' ' ' LEU . 39.2 p-80 -53.32 127.22 23.89 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-O 121.33 0.586 . . . . 0.0 110.786 -176.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -86.66 169.51 12.63 Favored 'General case' 0 C--N 1.315 -0.923 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 177.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 66.66 96.11 0.06 Allowed 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 -172.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -63.77 -25.48 68.2 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.947 0.721 . . . . 0.0 112.947 -167.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 69.5 m80 . . . . . 0 C--O 1.245 0.854 0 CA-C-O 118.298 -0.858 . . . . 0.0 109.784 176.435 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.476 0.841 0 CA-C-O 120.616 0.246 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -73.46 106.22 5.16 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.157 0.503 . . . . 0.0 110.474 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 t -83.28 129.84 35.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.405 -179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.5 90.97 0.18 Allowed Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.831 -0.7 . . . . 0.0 112.681 -177.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -166.41 116.68 0.95 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 175.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 47.1 pttt -149.64 81.43 1.4 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.062 0.458 . . . . 0.0 110.859 -177.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 8.4 p -179.07 129.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.236 0.368 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.615 -179.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 59.1 ttp -149.55 111.03 4.47 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.318 177.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.9 mt -124.36 -179.34 4.42 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.782 -0.644 . . . . 0.0 109.621 179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.12 50.66 4.48 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.232 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -100.8 105.0 16.26 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 120.785 0.326 . . . . 0.0 110.193 178.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -152.35 150.91 30.23 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.583 -178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -150.02 129.2 12.77 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.328 178.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -141.83 119.71 11.94 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.725 HG13 HG23 ' A' ' 16' ' ' VAL . 7.1 p -174.2 166.53 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.635 -176.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.725 HG23 HG13 ' A' ' 15' ' ' VAL . 48.7 t 77.0 86.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.694 0.759 . . . . 0.0 110.713 178.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.7 p -121.8 120.34 34.29 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.881 -1.054 . . . . 0.0 109.56 176.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -92.63 84.14 5.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.137 0.494 . . . . 0.0 110.767 -173.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.6 p -87.66 131.86 34.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.79 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 40.4 p90 -122.57 147.44 46.39 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.11 0.481 . . . . 0.0 110.933 -179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.86 114.59 3.19 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.653 178.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.419 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -58.11 104.24 0.19 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.829 0.706 . . . . 0.0 111.214 -176.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.403 ' HB3' ' HE2' ' A' ' 25' ' ' MET . 3.3 tp10 -119.37 144.32 46.95 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.192 -177.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.737 HD13 HG23 ' A' ' 70' ' ' VAL . 15.5 mm -83.6 129.26 37.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 174.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.474 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 21.2 mmt -114.17 157.93 22.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.877 0.37 . . . . 0.0 111.1 -175.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 33.9 mtmm -79.71 151.48 30.43 Favored 'General case' 0 N--CA 1.449 -0.487 0 N-CA-C 109.082 -0.711 . . . . 0.0 109.082 174.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -59.98 -22.17 62.19 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 111.57 0.211 . . . . 0.0 111.57 -175.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.4 p -77.8 -53.67 7.23 Favored 'General case' 0 N--CA 1.449 -0.501 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 176.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -76.5 -29.24 56.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.243 -0.583 . . . . 0.0 110.252 -176.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.515 ' HA ' HG22 ' A' ' 33' ' ' VAL . 23.7 t80 -61.27 -43.07 99.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.942 0.401 . . . . 0.0 110.049 173.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -65.68 -30.47 71.17 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.915 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mptt -74.51 -45.37 46.35 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.822 177.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.515 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.9 m -74.44 -24.34 18.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.767 -177.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.31 -17.59 43.83 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-O 120.983 0.42 . . . . 0.0 111.086 179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -70.09 -31.11 68.52 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.785 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.46 13.21 18.86 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.119 0.485 . . . . 0.0 110.505 -178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.512 ' CE2' HG23 ' A' ' 69' ' ' VAL . 9.0 m-85 -116.75 169.35 9.44 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.264 178.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 62.7 m -139.0 135.8 34.67 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.977 0.418 . . . . 0.0 110.907 179.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -76.11 122.18 23.91 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.163 179.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.445 HG21 ' HG3' ' A' ' 89' ' ' LYS . 13.2 pt -92.76 -17.14 7.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.402 175.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.7 168.75 14.35 Favored Glycine 0 N--CA 1.442 -0.925 0 CA-C-N 115.607 -0.724 . . . . 0.0 112.006 178.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -105.14 152.43 22.81 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 176.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 85' ' ' ALA . 17.0 pt -117.24 163.37 14.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.523 ' HB2' HG22 ' A' ' 84' ' ' THR . 29.6 t -155.71 167.13 31.39 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.095 0.474 . . . . 0.0 110.534 -177.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.527 HG21 ' HB1' ' A' ' 54' ' ' ALA . 3.0 p -108.06 160.35 15.86 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.463 178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 33.3 m -150.37 120.98 7.47 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 176.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 110.11 137.22 7.6 Favored Glycine 0 N--CA 1.444 -0.796 0 C-N-CA 120.59 -0.814 . . . . 0.0 111.641 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -57.46 115.13 2.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 120.896 0.379 . . . . 0.0 110.545 179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.1 mmt -141.11 169.2 18.05 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.645 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.539 ' HB2' ' HB2' ' A' ' 53' ' ' ASP . 21.4 m -69.01 141.5 92.12 Favored Pre-proline 0 C--N 1.323 -0.557 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 176.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.476 ' HA ' HD13 ' A' ' 81' ' ' ILE . 17.8 Cg_endo -60.27 -55.91 1.33 Allowed 'Trans proline' 0 C--O 1.234 0.282 0 C-N-CA 122.765 2.31 . . . . 0.0 113.709 -171.613 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 52.5 tp -72.53 -32.45 66.12 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 -175.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.539 ' HB2' ' HB2' ' A' ' 50' ' ' SER . 16.2 m-20 -71.2 -37.7 72.08 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.965 -178.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.527 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -70.84 -32.91 70.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.347 . . . . 0.0 110.255 177.251 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -66.76 -43.78 83.18 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 175.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.607 ' HA ' HD12 ' A' ' 59' ' ' ILE . 1.3 tm-20 -56.42 -42.91 78.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.116 177.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 21.9 t70 -69.36 -33.32 72.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.075 0.464 . . . . 0.0 110.57 -177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.417 HD11 HG23 ' A' ' 45' ' ' THR . 48.7 mt -66.0 -42.8 89.26 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.922 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.607 HD12 ' HA ' ' A' ' 56' ' ' GLU . 29.4 mt -63.02 -41.97 94.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.685 178.187 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 35.1 mtpt -55.51 -52.97 61.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.318 -0.856 . . . . 0.0 110.765 174.019 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.1 ttpt -62.37 -38.28 88.95 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.583 -176.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.96 -45.24 87.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.855 0.359 . . . . 0.0 110.694 174.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -65.92 -41.97 90.73 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.45 177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -61.18 -35.78 78.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.936 178.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 49.8 tptt -75.98 -34.29 59.76 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.826 176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.53 18.96 10.26 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 121.036 -0.602 . . . . 0.0 113.33 176.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -65.49 145.32 56.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.718 0.294 . . . . 0.0 110.47 179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.419 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.3 t70 -96.61 -39.53 9.47 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 121.436 0.636 . . . . 0.0 110.366 -176.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 37' ' ' TYR . 39.9 t -114.46 135.17 55.09 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.886 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.093 177.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.737 HG12 HG22 ' A' ' 87' ' ' ILE . 22.2 m -127.23 142.0 44.73 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 178.701 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 82.6 t -130.95 128.34 62.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.453 179.142 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 94.1 mt -85.62 99.73 11.48 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.115 0.484 . . . . 0.0 110.199 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -89.14 -10.68 46.34 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.416 178.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 p -46.36 124.87 6.15 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.983 -1.008 . . . . 0.0 112.573 179.267 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -76.16 -20.44 77.39 Favored Glycine 0 C--N 1.33 0.233 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.279 178.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 64.99 106.26 0.03 OUTLIER 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 175.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.456 ' H ' HG22 ' A' ' 81' ' ' ILE . 1.4 p -93.98 -76.6 0.48 Allowed 'General case' 0 C--N 1.321 -0.665 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 164.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -179.19 -73.06 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.25 173.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 15.0 t-20 -105.15 -47.77 3.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.518 0.675 . . . . 0.0 110.288 -175.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 19.3 ptmt -83.01 44.8 0.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.752 -178.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.476 HD13 ' HA ' ' A' ' 51' ' ' PRO . 18.8 pt -78.24 129.84 36.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.634 0.73 . . . . 0.0 112.749 -173.758 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -113.61 38.12 3.03 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 107.638 -1.245 . . . . 0.0 107.638 168.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -69.65 141.89 35.83 Favored Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 114.783 -1.098 . . . . 0.0 112.409 -176.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 44' ' ' SER . 45.9 p -106.47 169.5 8.48 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-O 121.209 0.528 . . . . 0.0 111.091 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -141.45 133.4 27.54 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 171.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -110.26 120.67 43.2 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.017 0.437 . . . . 0.0 109.916 -174.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.737 HG22 HG12 ' A' ' 70' ' ' VAL . 23.6 pt -116.27 153.79 17.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 CA-C-O 121.312 0.577 . . . . 0.0 112.359 -170.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -134.3 150.79 51.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.752 -178.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.468 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 21.2 mmmt -113.46 157.98 21.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.264 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.463 ' HE3' ' OH ' ' A' ' 37' ' ' TYR . 35.6 mttt -74.83 145.91 42.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.025 0.441 . . . . 0.0 111.057 178.045 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -91.12 -174.93 4.14 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.887 175.417 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.468 HD12 ' N ' ' A' ' 93' ' ' GLU . 4.0 pp -95.93 -24.02 16.59 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 114.998 -1.001 . . . . 0.0 109.177 178.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' N ' HD12 ' A' ' 92' ' ' LEU . 35.3 tt0 -103.12 87.77 2.98 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.598 -1.183 . . . . 0.0 109.305 176.641 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -127.77 120.21 27.39 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.71 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 7.9 t-160 -82.4 -19.02 39.91 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.07 -177.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -74.14 110.67 8.62 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 172.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 4.6 t-160 -113.06 -35.41 5.41 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.851 -175.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -98.8 152.16 20.01 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.339 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 . . . . . 0 C--O 1.245 0.817 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.633 -179.932 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.483 1.204 0 CA-C-O 120.421 0.153 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -114.52 109.93 19.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.976 0.417 . . . . 0.0 110.396 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.1 t -159.47 167.9 27.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.22 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.13 -152.98 18.12 Favored Glycine 0 N--CA 1.444 -0.797 0 C-N-CA 120.849 -0.691 . . . . 0.0 112.25 178.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 69.59 154.47 0.12 Allowed 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.448 0.699 . . . . 0.0 111.434 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -142.26 -79.54 0.23 Allowed 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.438 174.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.6 p -152.3 115.25 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.433 0.635 . . . . 0.0 111.36 -179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.548 ' HG2' HD12 ' A' ' 9' ' ' LEU . 27.4 ttt -146.19 164.48 32.12 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 173.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.548 HD12 ' HG2' ' A' ' 8' ' ' MET . 11.2 mp 71.45 63.64 0.15 Allowed 'General case' 0 C--O 1.236 0.392 0 O-C-N 123.597 0.561 . . . . 0.0 110.271 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -69.74 -63.39 3.36 Favored Glycine 0 N--CA 1.445 -0.72 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 175.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 48.34 77.9 0.09 Allowed 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.47 0.708 . . . . 0.0 112.539 177.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 45.0 tp -151.41 122.62 7.74 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.951 -0.389 . . . . 0.0 109.951 177.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -144.04 101.99 3.81 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.003 179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 63.5 m-85 66.81 167.51 0.23 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 122.26 1.028 . . . . 0.0 112.888 179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.666 HG21 ' HG3' ' A' ' 93' ' ' GLU . 3.9 p -158.62 80.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-N 113.725 -1.579 . . . . 0.0 107.37 170.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -107.81 -35.73 3.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.077 -0.965 . . . . 0.0 113.02 -162.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.531 HG21 HG11 ' A' ' 33' ' ' VAL . 1.9 m -80.66 73.78 7.6 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.8 0.809 . . . . 0.0 111.035 -174.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -89.36 106.33 18.38 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.123 -0.944 . . . . 0.0 110.165 178.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.755 HG11 HG22 ' A' ' 69' ' ' VAL . 0.2 OUTLIER -81.96 117.47 28.0 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.931 176.508 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 16.6 p90 -73.84 -26.92 60.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 114.796 -1.093 . . . . 0.0 111.479 -178.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.86 170.58 9.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.151 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.636 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -56.81 110.46 0.81 Allowed 'General case' 0 C--O 1.235 0.341 0 O-C-N 123.614 0.572 . . . . 0.0 111.862 -177.556 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 64.2 tt0 -137.27 155.78 49.06 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.923 178.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.78 HD13 HG23 ' A' ' 70' ' ' VAL . 19.1 mm -84.43 133.71 28.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.626 -179.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 82.0 mtp -120.61 -175.23 2.98 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 121.172 -0.211 . . . . 0.0 110.48 175.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.493 ' O ' ' HB2' ' A' ' 30' ' ' PHE . 66.8 mttm -82.65 -163.79 0.76 Allowed 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.649 178.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -103.61 -44.06 5.2 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.543 -0.299 . . . . 0.0 111.198 179.386 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 98.2 m -70.87 -47.89 56.79 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.718 -0.219 . . . . 0.0 111.423 -176.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.468 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.3 p30 -69.52 -32.39 71.2 Favored 'General case' 0 C--O 1.222 -0.355 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.033 176.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.533 ' HA ' HG22 ' A' ' 33' ' ' VAL . 78.2 t80 -59.95 -40.67 89.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.034 0.445 . . . . 0.0 110.691 176.051 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -65.6 -33.75 76.63 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.092 178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -83.17 -31.22 27.25 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.651 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.533 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.1 m -87.25 -12.28 10.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 C-N-CA 120.892 -0.323 . . . . 0.0 110.902 177.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.493 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -60.1 -23.72 64.06 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.39 0.614 . . . . 0.0 110.211 174.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.6 t -62.01 -41.98 98.66 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.269 174.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -84.07 5.53 25.61 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.821 178.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.532 ' CE2' HG21 ' A' ' 69' ' ' VAL . 19.7 m-30 -127.5 178.83 5.83 Favored 'General case' 0 C--O 1.225 -0.185 0 CA-C-O 120.916 0.389 . . . . 0.0 111.482 -171.243 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -147.25 162.51 38.77 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.177 -1.046 . . . . 0.0 108.177 -179.733 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -117.21 118.13 31.46 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.912 0.386 . . . . 0.0 110.903 -174.519 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.412 HD11 ' HB2' ' A' ' 67' ' ' ALA . 21.4 pt -84.58 -25.55 7.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.375 -178.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.02 176.15 26.06 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.602 -0.808 . . . . 0.0 111.658 178.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.5 m -105.94 150.99 25.15 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 178.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 26.8 pt -124.69 164.46 23.27 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.634 ' HB3' HG22 ' A' ' 84' ' ' THR . 3.2 p -145.64 176.0 9.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.436 0.636 . . . . 0.0 112.687 -175.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.614 ' O ' ' HA ' ' A' ' 82' ' ' HIS . 2.3 p -123.77 138.6 54.48 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.492 174.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.0 m -143.67 108.44 4.9 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 120.959 0.409 . . . . 0.0 111.3 -179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 159.29 -119.35 0.89 Allowed Glycine 0 N--CA 1.439 -1.138 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.039 176.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -168.56 86.96 0.19 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.319 0.581 . . . . 0.0 110.608 -176.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -136.24 168.07 20.1 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.768 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 58.9 m -67.06 148.55 98.84 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.629 0.252 . . . . 0.0 110.841 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.733 ' HD3' ' HG3' ' A' ' 78' ' ' GLU . 12.0 Cg_endo -54.74 -45.25 42.35 Favored 'Trans proline' 0 C--N 1.347 0.476 0 C-N-CA 123.55 2.833 . . . . 0.0 113.9 -171.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.524 ' HA ' ' NE ' ' A' ' 55' ' ' ARG . 5.7 mp -71.51 -34.46 70.12 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 110.321 -0.252 . . . . 0.0 110.321 -177.443 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -66.11 -38.51 88.37 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 176.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.479 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -60.84 -42.1 97.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.447 175.285 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.65 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 36.3 mtm180 -57.65 -57.53 12.32 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.961 -0.563 . . . . 0.0 109.971 177.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.447 ' HA ' HD12 ' A' ' 59' ' ' ILE . 31.9 mt-10 -69.46 -26.39 64.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.265 -0.88 . . . . 0.0 111.638 -173.244 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.594 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 17.1 t70 -62.81 -47.01 85.29 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 170.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 85' ' ' ALA . 55.3 mt -62.39 -48.02 81.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.969 176.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.447 HD12 ' HA ' ' A' ' 56' ' ' GLU . 56.0 mt -59.81 -46.14 94.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.622 -177.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 pttp -73.06 -30.89 64.04 Favored 'General case' 0 C--O 1.222 -0.377 0 CA-C-O 120.757 0.313 . . . . 0.0 110.618 -178.415 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.594 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -69.75 -43.07 73.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.957 0.408 . . . . 0.0 110.58 179.404 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -41.33 86.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.15 172.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -65.75 -35.2 80.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.533 177.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -67.92 -41.81 82.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.417 177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.2 tttp -73.65 -34.72 65.08 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.995 0.426 . . . . 0.0 110.321 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.17 60.59 0.45 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.533 -0.841 . . . . 0.0 112.642 177.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -111.33 151.75 28.05 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.203 -0.295 . . . . 0.0 110.203 176.867 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.636 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 90.1 m-20 -104.74 -31.69 9.22 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.879 -178.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.755 HG22 HG11 ' A' ' 19' ' ' VAL . 18.6 t -124.76 139.72 50.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 179.461 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.78 HG23 HD13 ' A' ' 24' ' ' ILE . 15.3 m -129.32 142.45 43.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.867 0.365 . . . . 0.0 110.477 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 65.5 t -130.32 114.3 28.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 109.823 176.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.5 mt -84.03 84.74 7.49 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.398 0.618 . . . . 0.0 110.264 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -89.66 0.75 56.75 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.908 177.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.4 m -50.19 132.9 23.97 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 114.19 -1.368 . . . . 0.0 112.591 -178.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.71 98.26 0.46 Allowed Glycine 0 N--CA 1.439 -1.109 0 N-CA-C 110.222 -1.151 . . . . 0.0 110.222 171.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -71.61 75.36 0.81 Allowed 'General case' 0 C--N 1.312 -1.022 0 CA-C-O 122.241 1.019 . . . . 0.0 111.021 -176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 m -79.99 -13.91 58.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 113.9 -1.5 . . . . 0.0 110.401 173.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.733 ' HG3' ' HD3' ' A' ' 51' ' ' PRO . 37.6 tt0 73.06 -70.67 0.15 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.665 0.786 . . . . 0.0 112.242 174.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -62.17 -59.71 4.65 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.075 0.464 . . . . 0.0 111.986 -173.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 40.8 pttt -112.29 61.08 0.63 Allowed 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.801 0.81 . . . . 0.0 110.312 -175.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.479 HD13 ' HB2' ' A' ' 54' ' ' ALA . 22.2 pt -49.25 122.78 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 CA-C-N 114.309 -1.314 . . . . 0.0 112.866 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.614 ' HA ' ' O ' ' A' ' 45' ' ' THR . 18.5 t-80 -148.79 48.42 1.01 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 173.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.07 166.17 15.43 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.623 -175.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.634 HG22 ' HB3' ' A' ' 44' ' ' SER . 21.5 p -112.97 153.49 27.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.814 0.34 . . . . 0.0 110.889 -178.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.541 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -121.12 134.39 55.24 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.093 -0.706 . . . . 0.0 109.093 174.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -101.38 115.11 29.76 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -176.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.643 HG22 HG12 ' A' ' 70' ' ' VAL . 30.3 pt -116.54 152.65 18.26 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.906 -171.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.466 ' CD1' ' HZ ' ' A' ' 30' ' ' PHE . 5.7 m-85 -135.41 152.22 51.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.016 -177.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 54.9 tptt -119.7 137.76 53.71 Favored 'General case' 0 C--N 1.31 -1.123 0 N-CA-C 107.648 -1.242 . . . . 0.0 107.648 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.552 ' HG2' ' OD2' ' A' ' 68' ' ' ASP . 17.2 pttm -69.56 165.03 21.93 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 119.668 -0.813 . . . . 0.0 110.637 -177.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.5 mttp -85.1 178.83 7.41 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.913 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.4 mt -89.76 1.56 55.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.067 -177.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.666 ' HG3' HG21 ' A' ' 15' ' ' VAL . 21.1 tt0 69.57 162.19 0.22 Allowed 'General case' 0 CA--C 1.535 0.4 0 O-C-N 123.735 0.647 . . . . 0.0 111.363 176.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.543 ' N ' ' HG2' ' A' ' 93' ' ' GLU . 15.4 m80 44.97 78.63 0.06 Allowed 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 123.278 0.631 . . . . 0.0 112.671 174.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -143.3 146.1 33.29 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.581 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -137.63 155.71 48.87 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -71.45 -45.59 62.21 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 121.002 -0.279 . . . . 0.0 110.558 176.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 64.21 89.23 0.09 Allowed 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.36 0.6 . . . . 0.0 111.425 176.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.441 ' O ' ' HB3' ' A' ' 8' ' ' MET . 56.8 t-80 . . . . . 0 C--O 1.249 1.049 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.234 175.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -141.56 -59.51 0.48 Allowed 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.622 -174.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 32.2 m -123.25 137.4 54.88 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.385 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.7 69.06 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.237 -0.982 . . . . 0.0 113.281 177.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 56.4 m-85 -123.1 90.89 3.37 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.083 0.468 . . . . 0.0 110.903 174.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -128.13 84.36 2.24 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.088 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 29.2 m -99.79 146.2 9.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.393 179.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 65.9 mtt -112.1 123.7 50.82 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.048 0.452 . . . . 0.0 110.886 -178.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 95.6 mt -124.9 132.1 53.34 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.62 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -157.52 113.02 0.55 Allowed Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.086 -178.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -136.01 143.86 44.99 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 96.0 mt -131.76 160.9 34.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.509 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 64.81 86.18 0.13 Allowed 'General case' 0 N--CA 1.464 0.256 0 O-C-N 123.895 0.747 . . . . 0.0 111.446 176.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -124.02 -25.21 4.25 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.743 178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 35.9 m -93.27 163.08 2.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.07 0.462 . . . . 0.0 111.896 -174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 21.0 m -99.91 134.91 37.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.707 174.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.4 p -100.27 144.41 29.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.104 0.478 . . . . 0.0 111.841 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -96.78 176.58 5.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.443 -178.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.7 p -153.14 125.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.437 178.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.1 m-85 -145.33 178.86 7.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.6 178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -101.05 179.52 4.35 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.565 -179.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -42.88 105.37 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 -170.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HG2' ' N ' ' A' ' 24' ' ' ILE . 35.2 tt0 -153.95 163.8 39.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.583 172.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.699 HD13 HG23 ' A' ' 70' ' ' VAL . 19.4 mm -77.15 144.08 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 178.596 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.433 ' HB2' ' HB2' ' A' ' 30' ' ' PHE . 26.2 mmt -119.3 169.19 10.2 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.799 0.333 . . . . 0.0 110.982 179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 5.4 mtmm -82.74 153.97 25.02 Favored 'General case' 0 C--O 1.22 -0.48 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 176.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.3 tptt -55.04 -54.41 43.45 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.851 0.315 . . . . 0.0 111.851 -175.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 28.2 m -69.06 -42.13 76.66 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.959 0.409 . . . . 0.0 111.134 -175.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -72.33 -37.63 68.85 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.643 -178.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.576 ' HA ' HG22 ' A' ' 33' ' ' VAL . 45.7 t80 -62.55 -42.07 99.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.974 0.416 . . . . 0.0 110.088 177.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -63.83 -30.65 71.72 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.847 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mptt -87.2 -30.94 20.61 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.727 -178.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.576 HG22 ' HA ' ' A' ' 30' ' ' PHE . 31.4 m -82.3 -21.23 9.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.578 175.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.626 ' HA ' ' HB2' ' A' ' 37' ' ' TYR . . . -61.95 -14.7 37.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 121.044 0.45 . . . . 0.0 111.094 178.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.6 t -64.45 -34.19 77.61 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.394 176.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 18.3 mt-10 -105.24 23.9 12.93 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-O 121.114 0.483 . . . . 0.0 111.002 175.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.626 ' HB2' ' HA ' ' A' ' 34' ' ' ALA . 27.9 m-85 -131.54 165.03 24.51 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.503 178.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 39' ' ' LYS . 4.8 m -140.17 169.06 18.39 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 108.331 -0.989 . . . . 0.0 108.331 -176.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.4 ' H ' HG22 ' A' ' 38' ' ' THR . 19.9 ttpt -112.43 135.57 52.97 Favored 'General case' 0 C--N 1.317 -0.84 0 O-C-N 121.995 -0.441 . . . . 0.0 110.889 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.513 HD12 ' HG3' ' A' ' 65' ' ' LYS . 14.7 pt -107.21 -13.22 10.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.313 179.51 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 150.74 169.08 16.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.236 178.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.6 m -105.75 156.07 18.65 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.7 pt -132.66 166.0 30.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.653 0.263 . . . . 0.0 110.494 179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.6 t -150.43 161.4 42.58 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 177.561 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.442 ' HA ' ' OD2' ' A' ' 57' ' ' ASP . 3.1 m -77.68 144.55 37.24 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.096 0.474 . . . . 0.0 111.166 -178.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 6.9 m -96.01 101.5 13.18 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.597 -0.729 . . . . 0.0 109.617 175.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 101.68 134.56 8.51 Favored Glycine 0 N--CA 1.441 -1.027 0 C-N-CA 120.447 -0.882 . . . . 0.0 112.062 -178.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -82.63 89.73 6.75 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-O 121.178 0.513 . . . . 0.0 109.769 178.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 62.6 mtm -117.8 -169.49 1.69 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.621 -0.718 . . . . 0.0 111.895 -171.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.544 ' HB3' ' HD2' ' A' ' 51' ' ' PRO . 8.9 m -66.52 160.51 66.44 Favored Pre-proline 0 C--O 1.234 0.266 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.628 178.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.546 ' HB3' ' O ' ' A' ' 78' ' ' GLU . 11.6 Cg_endo -54.29 -54.1 5.21 Favored 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 122.995 2.463 . . . . 0.0 112.918 -175.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.1 mp -66.15 -33.61 76.16 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 121.116 -0.234 . . . . 0.0 111.0 -176.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -68.45 -48.51 64.36 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.867 0.365 . . . . 0.0 110.521 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.06 -39.14 92.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.018 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.5 mtp180 -65.42 -43.94 88.95 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.288 178.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -59.52 -33.49 71.44 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.602 -0.272 . . . . 0.0 111.638 179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.564 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 27.7 t70 -70.63 -42.29 71.09 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.33 0.586 . . . . 0.0 109.999 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 87.6 mt -67.57 -44.71 77.55 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.084 179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.1 mt -64.28 -47.93 87.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.164 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 36.7 mtmm -66.56 -45.4 79.48 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.849 -0.341 . . . . 0.0 110.896 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.4 ttpt -65.83 -41.02 92.3 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.386 -175.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -62.06 -42.45 99.21 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.064 0.459 . . . . 0.0 110.909 175.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -68.54 -33.99 75.06 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.18 178.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -68.34 -28.92 67.56 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.1 177.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.513 ' HG3' HD12 ' A' ' 40' ' ' ILE . 15.3 tppt? -79.96 -25.59 40.34 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.815 177.399 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.428 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 93.42 39.95 4.91 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.985 -0.626 . . . . 0.0 112.754 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.579 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -87.28 160.56 18.38 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.615 0.245 . . . . 0.0 110.537 178.659 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.524 ' OD2' ' HD2' ' A' ' 89' ' ' LYS . 9.4 m-20 -113.92 -24.38 9.11 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.098 0.475 . . . . 0.0 110.819 -179.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.512 HG23 ' CE2' ' A' ' 37' ' ' TYR . 77.8 t -127.17 139.77 50.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 172.48 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.699 HG23 HD13 ' A' ' 24' ' ' ILE . 21.2 m -125.26 142.75 41.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.732 -0.47 . . . . 0.0 109.732 177.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.9 t -137.97 123.27 24.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 116.411 -0.358 . . . . 0.0 110.616 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.1 mt -73.43 93.39 1.95 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 174.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 6.1 t -78.78 -26.47 44.46 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.658 -0.701 . . . . 0.0 110.776 -174.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.581 ' HB2' ' HB ' ' A' ' 84' ' ' THR . 65.8 m -148.56 176.79 10.03 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.417 179.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.503 ' O ' ' HG3' ' A' ' 76' ' ' GLN . . . 156.34 -120.87 1.03 Allowed Glycine 0 N--CA 1.443 -0.854 0 N-CA-C 110.608 -0.997 . . . . 0.0 110.608 -174.76 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.503 ' HG3' ' O ' ' A' ' 75' ' ' GLY . 26.5 mt-30 -161.58 -92.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 122.691 0.396 . . . . 0.0 110.295 177.352 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 21.1 p -117.4 -83.64 0.64 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.973 0.416 . . . . 0.0 110.14 176.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.546 ' O ' ' HB3' ' A' ' 51' ' ' PRO . 33.5 tt0 -164.67 -61.23 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.066 175.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.506 ' O ' ' HD3' ' A' ' 51' ' ' PRO . 8.3 t-20 -58.92 -32.47 69.58 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.544 -177.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.526 ' NZ ' ' HB3' ' A' ' 80' ' ' LYS . 0.5 OUTLIER -128.57 128.67 44.69 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 170.605 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.536 HD11 ' HA ' ' A' ' 51' ' ' PRO . 17.1 pt -151.33 128.78 2.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.979 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.123 -176.288 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 58.2 t-80 -99.95 82.28 2.55 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 106.653 -1.61 . . . . 0.0 106.653 161.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -76.74 138.69 22.62 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.543 -0.837 . . . . 0.0 114.246 -166.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.581 ' HB ' ' HB2' ' A' ' 74' ' ' SER . 2.5 m -123.95 141.88 51.65 Favored 'General case' 0 C--N 1.313 -0.985 0 N-CA-C 108.143 -1.058 . . . . 0.0 108.143 168.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -134.71 134.21 40.81 Favored 'General case' 0 C--N 1.309 -1.193 0 CA-C-O 120.935 0.398 . . . . 0.0 110.509 -174.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -110.66 116.08 30.71 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.579 HD12 ' HB2' ' A' ' 67' ' ' ALA . 33.1 pt -108.28 152.84 10.02 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.882 0 CA-C-O 121.626 0.727 . . . . 0.0 112.462 -168.429 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.477 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 31.5 m-85 -131.01 153.72 48.94 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.065 -0.971 . . . . 0.0 110.772 -175.602 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.524 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 57.6 tptt -125.64 138.51 53.91 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 114.645 -1.162 . . . . 0.0 108.908 -175.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.3 pttt -69.12 156.25 39.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.305 0.574 . . . . 0.0 111.028 -176.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.52 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 93.5 mttt -93.19 -179.79 5.19 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.318 -176.769 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.631 ' H ' HD23 ' A' ' 92' ' ' LEU . 2.0 pt? -111.73 14.33 21.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.827 -1.079 . . . . 0.0 109.142 176.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' OE2' ' HD3' ' A' ' 91' ' ' LYS . 35.5 mt-10 -95.38 17.26 14.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.839 -178.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -79.73 110.29 14.94 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.401 -176.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 56.2 p-80 -63.96 141.64 58.7 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.084 -179.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.29 161.1 0.24 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.159 0.912 . . . . 0.0 111.559 -178.177 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 55.15 50.38 15.34 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.669 -173.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 44.7 t60 -106.56 -23.11 12.57 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.302 -0.863 . . . . 0.0 110.133 -178.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 28.2 t60 . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.617 -178.676 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.2 mtp . . . . . 0 N--CA 1.483 1.223 0 N-CA-C 110.331 -0.248 . . . . 0.0 110.331 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 56.7 tttm -131.32 100.35 5.15 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.048 0.451 . . . . 0.0 110.364 -179.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 15.1 t -149.33 177.13 9.95 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.526 179.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -178.56 39.45 0.08 OUTLIER Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.296 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -109.25 133.34 53.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.795 0.331 . . . . 0.0 110.771 -178.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 82.5 mttt -94.93 97.51 10.04 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.914 -0.584 . . . . 0.0 109.84 175.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.29 140.53 48.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.506 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.4 ptt? -145.7 149.75 35.02 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.026 -178.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.5 mt -114.68 107.02 14.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.283 174.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -111.92 -27.14 4.13 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.602 -0.809 . . . . 0.0 112.488 -177.515 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.94 90.6 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.657 -178.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 53.0 tp -131.62 136.34 47.67 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.708 -0.478 . . . . 0.0 109.708 178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.37 151.76 20.1 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.227 0.537 . . . . 0.0 111.44 -178.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 27.3 p90 -123.39 139.4 54.07 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.136 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.3 p -162.08 132.32 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.123 0.487 . . . . 0.0 111.408 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.72 120.3 12.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 174.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.2 t -132.46 138.8 47.73 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.137 0.494 . . . . 0.0 110.941 -173.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 20.1 m120 -129.06 85.37 2.31 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.921 -0.582 . . . . 0.0 109.903 175.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.5 m -104.37 26.29 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.406 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -125.04 108.39 11.78 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.263 -0.881 . . . . 0.0 110.226 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -76.6 -53.04 8.58 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.728 ' H ' ' HA ' ' A' ' 68' ' ' ASP . . . 46.66 64.67 1.44 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.277 -0.874 . . . . 0.0 112.167 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -128.44 162.74 26.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.357 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.616 HD13 HG23 ' A' ' 70' ' ' VAL . 24.7 mm -86.22 123.3 39.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 174.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.46 ' SD ' HG22 ' A' ' 69' ' ' VAL . 0.5 OUTLIER -101.91 138.41 38.91 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 121.02 -0.272 . . . . 0.0 110.921 179.625 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.8 mmmt -60.15 146.74 42.2 Favored 'General case' 0 C--O 1.222 -0.389 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 173.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.483 ' HA ' ' HB3' ' A' ' 30' ' ' PHE . 82.6 tttt -61.86 -34.89 76.82 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 117.806 0.276 . . . . 0.0 111.387 -173.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.624 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 19.3 m -62.45 -42.3 99.37 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.039 0.447 . . . . 0.0 110.423 176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -74.66 -31.02 61.81 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.9 176.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.559 ' HA ' HG22 ' A' ' 33' ' ' VAL . 71.1 t80 -61.69 -44.65 96.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.964 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -64.45 -31.29 72.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.101 0.477 . . . . 0.0 110.93 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.624 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.1 mptt -75.56 -44.12 44.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.28 177.316 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.559 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.5 m -80.33 -7.9 10.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 C-N-CA 121.04 -0.264 . . . . 0.0 110.82 -177.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -63.43 -18.16 63.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.359 0.599 . . . . 0.0 109.869 171.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.0 t -86.64 -27.23 23.93 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.197 176.355 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' OE1' ' HA ' ' A' ' 94' ' ' HIS . 14.2 mt-10 -106.37 6.22 30.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.768 -0.651 . . . . 0.0 112.112 -172.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 17.4 m-85 -133.83 172.9 12.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.209 0.528 . . . . 0.0 111.227 -175.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 86.7 m -144.58 134.08 23.31 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.565 -178.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.416 ' HG3' ' O ' ' A' ' 87' ' ' ILE . 37.2 ttpt -85.89 121.45 28.55 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.649 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 7.1 pt -90.87 -7.5 10.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.022 -178.374 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 142.56 174.42 15.01 Favored Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.485 175.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.3 m -105.19 146.53 29.12 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.9 pt -116.02 163.25 13.41 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.874 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 25.3 t -152.4 175.54 12.59 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.769 -175.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.558 HG21 ' HB1' ' A' ' 54' ' ' ALA . 11.2 t -155.48 -179.87 8.51 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 110.218 -0.29 . . . . 0.0 110.218 178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.574 HG22 ' HG2' ' A' ' 48' ' ' GLU . 11.4 m -94.19 140.55 29.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.04 -174.267 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.673 ' HA2' ' O ' ' A' ' 81' ' ' ILE . . . -73.24 -5.71 67.25 Favored Glycine 0 C--N 1.332 0.335 0 N-CA-C 114.544 0.577 . . . . 0.0 114.544 -173.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.574 ' HG2' HG22 ' A' ' 46' ' ' THR . 9.2 pt-20 -96.21 37.78 1.23 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.171 0.51 . . . . 0.0 111.204 -177.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 63.3 mtt -127.35 163.24 24.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.269 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.6 m -71.84 152.9 93.21 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.332 176.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.732 ' HB3' ' HA ' ' A' ' 78' ' ' GLU . 13.2 Cg_endo -56.0 -55.66 2.75 Favored 'Trans proline' 0 C--N 1.348 0.528 0 C-N-CA 123.012 2.474 . . . . 0.0 113.072 -175.055 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.612 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 9.2 tt -69.27 -35.3 75.92 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -177.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -62.37 -48.27 80.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.948 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.67 ' HB3' HD11 ' A' ' 81' ' ' ILE . . . -66.34 -30.97 71.48 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HG3' ' O ' ' A' ' 51' ' ' PRO . 19.6 mtm180 -68.84 -48.22 64.05 Favored 'General case' 0 N--CA 1.448 -0.526 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 176.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.612 ' HG2' ' O ' ' A' ' 52' ' ' LEU . 17.6 mm-40 -62.01 -29.92 70.6 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.74 0.305 . . . . 0.0 110.296 177.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.51 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 10.1 t70 -65.33 -45.43 84.29 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.425 0.631 . . . . 0.0 109.634 176.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 80.9 mt -65.48 -46.74 78.58 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.72 177.148 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 45.9 mt -65.03 -40.93 90.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.734 -176.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 20.6 pttp -70.83 -33.08 70.3 Favored 'General case' 0 C--O 1.22 -0.464 0 C-N-CA 120.574 -0.45 . . . . 0.0 110.267 179.165 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttpt -70.4 -42.11 72.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.196 0.522 . . . . 0.0 110.758 -178.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.95 -35.67 73.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.202 171.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -71.0 -38.13 72.66 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.369 175.471 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 40.4 mt-10 -64.18 -36.63 84.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.153 177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.649 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 54.5 tttp -84.03 -29.2 27.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.085 178.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.422 ' O ' ' HD3' ' A' ' 89' ' ' LYS . . . 96.64 43.01 3.24 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.825 -0.702 . . . . 0.0 113.365 175.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.571 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -82.63 159.87 22.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.08 0.467 . . . . 0.0 111.271 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.728 ' HA ' ' H ' ' A' ' 22' ' ' ALA . 18.1 m-20 -111.23 -29.03 8.0 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.974 -178.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.581 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 96.6 t -126.56 141.1 46.96 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 176.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.697 HG12 HG22 ' A' ' 87' ' ' ILE . 16.0 m -124.68 142.38 41.73 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 175.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.3 t -128.76 102.09 7.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.741 -0.466 . . . . 0.0 109.741 -179.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.411 HD23 ' HB2' ' A' ' 85' ' ' ALA . 97.2 mt -77.84 90.29 4.08 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.205 -179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -80.29 -15.29 57.26 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.222 0.534 . . . . 0.0 111.071 176.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 68.6 m -144.53 178.61 7.83 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.748 173.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.41 -18.1 30.55 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.562 -0.828 . . . . 0.0 113.553 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -94.66 32.86 1.53 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 117.279 0.539 . . . . 0.0 112.017 -175.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.664 ' HB ' HG22 ' A' ' 81' ' ' ILE . 7.1 m -91.43 -20.42 21.8 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.211 0.529 . . . . 0.0 110.031 175.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.732 ' HA ' ' HB3' ' A' ' 51' ' ' PRO . 39.3 tt0 73.56 -66.73 0.29 Allowed 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 114.979 -1.009 . . . . 0.0 112.999 173.494 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -54.75 -64.3 0.88 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 121.028 0.442 . . . . 0.0 110.55 -172.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -138.84 146.58 41.42 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 107.231 -1.396 . . . . 0.0 107.231 166.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.673 ' O ' ' HA2' ' A' ' 47' ' ' GLY . 23.4 pt -143.21 124.49 11.22 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-O 121.181 0.515 . . . . 0.0 112.161 -171.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -85.74 72.24 10.58 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 166.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -56.36 134.41 50.91 Favored Glycine 0 N--CA 1.443 -0.872 0 CA-C-N 114.823 -1.08 . . . . 0.0 113.073 -170.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -141.48 139.24 33.27 Favored 'General case' 0 C--N 1.313 -1.019 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 177.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.411 ' HB2' HD23 ' A' ' 72' ' ' LEU . . . -149.03 134.76 18.79 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.379 -177.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -101.15 118.08 36.28 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.035 0.445 . . . . 0.0 109.813 178.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.697 HG22 HG12 ' A' ' 70' ' ' VAL . 29.7 pt -105.76 152.81 7.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.446 0.641 . . . . 0.0 111.568 -173.174 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.581 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 58.1 m-85 -130.87 148.73 52.67 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.197 -176.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' HD2' ' OD2' ' A' ' 68' ' ' ASP . 50.7 tptt -120.05 141.69 49.52 Favored 'General case' 0 C--N 1.31 -1.127 0 CA-C-N 115.299 -0.864 . . . . 0.0 109.977 -173.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -69.23 137.35 53.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.928 0.395 . . . . 0.0 111.33 -176.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 52.2 mttm -79.5 -175.16 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.298 173.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -80.78 -11.11 59.66 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.067 172.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -113.83 87.08 2.54 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.307 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.402 ' HA ' ' OE1' ' A' ' 36' ' ' GLU . 35.9 t60 -148.41 97.68 2.79 Favored 'General case' 0 C--N 1.313 -0.988 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 170.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -64.86 -28.12 69.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 123.811 0.694 . . . . 0.0 111.567 -166.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.609 ' CE1' ' HA ' ' A' ' 99' ' ' HIS . 6.9 t-160 61.73 83.54 0.15 Allowed 'General case' 0 CA--C 1.53 0.203 0 CA-C-O 121.029 0.442 . . . . 0.0 110.592 168.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -86.15 -29.9 22.91 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.174 0.511 . . . . 0.0 110.394 -175.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -117.62 128.12 54.62 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 174.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.609 ' HA ' ' CE1' ' A' ' 96' ' ' HIS . 24.4 p80 . . . . . 0 C--O 1.244 0.807 0 CA-C-O 118.056 -0.974 . . . . 0.0 110.056 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.1 mtt . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.808 0.337 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -117.54 106.88 13.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.017 176.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 2.7 t -156.59 95.72 1.58 Allowed 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.312 0.577 . . . . 0.0 110.243 177.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.4 111.12 0.24 Allowed Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.573 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 50.9 p90 -146.04 146.13 30.84 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 110.275 -0.268 . . . . 0.0 110.275 -179.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -169.61 111.83 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.242 0.544 . . . . 0.0 111.228 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.47 124.04 39.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.755 176.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 89.4 mtp -130.14 119.96 23.82 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.795 0.331 . . . . 0.0 111.03 -177.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 41.5 tp -136.55 115.26 12.07 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.238 -0.652 . . . . 0.0 109.238 177.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.26 99.49 0.17 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.414 -0.898 . . . . 0.0 112.93 -176.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -149.58 133.2 16.77 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 175.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.432 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.7 pt? -129.1 124.45 34.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.124 0.488 . . . . 0.0 111.171 -178.541 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -166.43 99.8 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.424 -0.807 . . . . 0.0 109.314 179.16 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 55.3 t80 -146.95 117.97 7.72 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.181 -175.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 16.3 m -130.65 120.04 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.266 0.555 . . . . 0.0 111.042 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 m -130.37 96.46 2.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.004 178.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 28.6 m -150.72 98.03 2.56 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.17 177.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -108.12 129.83 55.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.336 0.588 . . . . 0.0 110.489 179.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.4 p -167.84 132.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.315 -0.857 . . . . 0.0 109.678 178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.427 ' CD1' ' HA2' ' A' ' 66' ' ' GLY . 29.9 m-85 -107.81 112.94 25.84 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.13 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.61 34.64 3.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.429 -174.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -49.48 109.92 0.32 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.602 0.564 . . . . 0.0 111.577 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.7 tt0 -143.88 167.12 23.08 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.987 -178.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.685 HD13 HG23 ' A' ' 70' ' ' VAL . 21.8 mm -88.6 132.24 34.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 178.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.443 ' HG2' HG21 ' A' ' 33' ' ' VAL . 0.2 OUTLIER -105.51 153.47 21.69 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.352 175.408 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -72.62 159.71 33.43 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.583 177.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -52.78 -55.03 25.89 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 111.987 0.366 . . . . 0.0 111.987 -177.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.439 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 13.6 t -74.48 -35.83 63.26 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.886 -0.325 . . . . 0.0 110.868 -176.4 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -67.29 -38.68 85.42 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.527 ' HA ' HG22 ' A' ' 33' ' ' VAL . 41.8 t80 -58.34 -47.31 84.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.83 176.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -62.44 -32.59 73.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.041 0.448 . . . . 0.0 110.957 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.5 mptt -74.62 -44.64 49.58 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.036 178.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.527 HG22 ' HA ' ' A' ' 30' ' ' PHE . 26.1 m -77.07 -19.17 14.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.61 -0.268 . . . . 0.0 110.949 -177.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.5 -16.82 57.74 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.998 0.428 . . . . 0.0 110.891 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.0 t -83.67 -17.09 42.63 Favored 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.823 179.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.9 mt-10 -113.86 9.9 17.64 Favored 'General case' 0 C--O 1.236 0.365 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.887 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CE2' HG23 ' A' ' 69' ' ' VAL . 10.3 m-85 -127.88 178.34 6.23 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.18 -177.14 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 96.2 m -137.25 141.49 42.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.856 0.36 . . . . 0.0 111.33 -176.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -85.51 122.4 29.59 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.002 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.633 HD13 ' HG2' ' A' ' 89' ' ' LYS . 24.0 pt -108.86 2.72 9.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.853 0.359 . . . . 0.0 111.653 -177.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 124.77 170.14 13.11 Favored Glycine 0 N--CA 1.445 -0.717 0 C-N-CA 120.353 -0.927 . . . . 0.0 112.449 176.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.4 m -105.7 155.01 19.67 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 120.801 0.334 . . . . 0.0 110.16 179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.471 HG12 ' O ' ' A' ' 85' ' ' ALA . 8.9 pt -119.28 163.23 16.75 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 N-CA-C 108.48 -0.933 . . . . 0.0 108.48 172.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.5 t -148.46 165.39 31.31 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.147 0.499 . . . . 0.0 111.312 -173.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.577 HG23 HD21 ' A' ' 58' ' ' LEU . 1.6 p -146.09 121.08 10.03 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.223 -0.899 . . . . 0.0 110.241 178.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 91.6 m -156.24 119.36 4.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.053 0.454 . . . . 0.0 110.33 -178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 172.93 -116.35 0.6 Allowed Glycine 0 N--CA 1.445 -0.717 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -155.78 90.36 1.22 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.487 0.661 . . . . 0.0 110.93 175.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . 0.456 ' HA ' ' CE ' ' A' ' 49' ' ' MET . 1.4 mmt -143.56 -172.12 3.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 114.999 -1.001 . . . . 0.0 108.677 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.562 ' HB2' ' OD2' ' A' ' 53' ' ' ASP . 48.8 m -90.23 144.36 30.97 Favored Pre-proline 0 C--N 1.321 -0.64 0 N-CA-C 109.243 -0.651 . . . . 0.0 109.243 172.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.7 -41.11 71.46 Favored 'Trans proline' 0 C--N 1.344 0.329 0 C-N-CA 123.177 2.585 . . . . 0.0 113.197 -174.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 8.8 mp -68.56 -35.05 76.88 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.339 -178.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 50' ' ' SER . 70.9 m-20 -62.61 -45.79 91.26 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.168 0.509 . . . . 0.0 109.77 178.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.571 ' HB2' HD13 ' A' ' 81' ' ' ILE . . . -60.08 -45.14 93.9 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.447 177.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -62.81 -48.91 77.06 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.304 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -56.02 -41.59 75.17 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.606 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.609 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 24.0 t70 -69.82 -37.17 76.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.956 0.408 . . . . 0.0 110.192 -177.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.577 HD21 HG23 ' A' ' 45' ' ' THR . 57.8 mt -67.11 -48.8 67.04 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.228 177.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 40.7 mt -63.89 -42.03 94.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.15 -177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' O ' ' HG3' ' A' ' 64' ' ' GLU . 52.5 pttt -69.55 -39.43 77.43 Favored 'General case' 0 C--O 1.222 -0.371 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.609 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -70.86 -39.57 72.82 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.698 -0.228 . . . . 0.0 111.412 -176.129 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.18 -43.63 87.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.855 0.36 . . . . 0.0 110.347 172.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -69.72 -33.24 72.21 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.66 179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.409 ' HG3' ' O ' ' A' ' 60' ' ' LYS . 32.6 mt-10 -69.64 -37.88 76.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.101 175.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.6 ttmm -68.46 -32.52 72.57 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.427 ' HA2' ' CD1' ' A' ' 20' ' ' TYR . . . 117.38 6.86 12.89 Favored Glycine 0 N--CA 1.445 -0.703 0 C-N-CA 120.624 -0.798 . . . . 0.0 113.275 173.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' HA ' ' HD2' ' A' ' 89' ' ' LYS . . . -58.78 153.75 16.27 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.003 0.43 . . . . 0.0 111.299 -177.718 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.1 m-20 -110.76 -27.23 8.97 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.008 -176.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.567 ' HB ' ' HB2' ' A' ' 88' ' ' TYR . 86.3 t -125.94 138.27 55.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.123 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.685 HG23 HD13 ' A' ' 24' ' ' ILE . 25.9 m -123.97 142.2 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.688 -0.405 . . . . 0.0 109.96 175.817 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.5 t -129.24 104.12 10.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.098 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 86.8 mt -80.46 88.02 5.64 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.029 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 13.1 p -75.08 -39.0 61.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.719 0.295 . . . . 0.0 110.663 178.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 33.8 m 59.27 -172.15 0.11 Allowed 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.676 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.91 -141.85 4.95 Favored Glycine 0 N--CA 1.446 -0.678 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -125.35 46.04 2.45 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.233 0.54 . . . . 0.0 110.838 -179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 91.5 m -154.75 102.6 2.38 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.125 0.488 . . . . 0.0 110.546 179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -92.2 -21.87 20.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.182 173.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 33.7 t30 -53.23 -63.09 1.26 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.215 -0.902 . . . . 0.0 112.072 -177.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -118.61 10.72 12.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.438 0.637 . . . . 0.0 110.201 177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.571 HD13 ' HB2' ' A' ' 54' ' ' ALA . 16.2 mt 69.57 152.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 114.508 -1.224 . . . . 0.0 112.127 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 -175.9 45.4 0.01 OUTLIER 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -104.99 146.33 16.06 Favored Glycine 0 N--CA 1.445 -0.735 0 CA-C-N 115.099 -0.955 . . . . 0.0 112.761 -172.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 40.2 p -116.52 153.26 32.49 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.344 -0.428 . . . . 0.0 110.024 177.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 43' ' ' ILE . . . -136.85 132.39 34.54 Favored 'General case' 0 C--N 1.316 -0.877 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 173.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -108.64 126.48 53.01 Favored 'General case' 0 C--N 1.316 -0.879 0 N-CA-C 109.496 -0.557 . . . . 0.0 109.496 -177.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.661 HG22 HG12 ' A' ' 70' ' ' VAL . 22.1 pt -115.71 153.91 17.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.662 0.744 . . . . 0.0 112.447 -170.218 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.567 ' HB2' ' HB ' ' A' ' 69' ' ' VAL . 32.8 m-85 -133.23 155.14 49.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.094 -0.957 . . . . 0.0 110.816 -177.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 40' ' ' ILE . 22.6 mmmt -111.86 153.56 26.45 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.425 175.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 19.5 pttm -81.13 159.07 24.77 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 174.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -105.23 -177.04 3.25 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.083 -176.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.3 pp -100.2 -5.38 27.77 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.499 -177.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -81.06 13.64 2.67 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 121.114 0.483 . . . . 0.0 111.308 179.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -89.29 147.95 23.83 Favored 'General case' 0 C--N 1.319 -0.734 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 173.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t-80 -62.6 -58.58 7.02 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.336 -0.546 . . . . 0.0 110.221 -175.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 97' ' ' HIS . 0.2 OUTLIER -172.78 -47.47 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.822 175.901 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 96' ' ' HIS . 23.4 m170 68.7 152.47 0.09 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.6 0.714 . . . . 0.0 111.649 -175.457 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 62.9 t60 -151.48 132.48 14.27 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.655 178.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 35.5 t-80 . . . . . 0 C--O 1.243 0.741 0 CA-C-O 118.422 -0.799 . . . . 0.0 109.1 178.725 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.482 1.16 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' A' ' 2' ' ' LYS . 0.4 OUTLIER -147.03 101.04 3.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.594 0.711 . . . . 0.0 110.721 179.119 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -152.71 103.59 2.8 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.753 -179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.85 123.53 1.26 Allowed Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.135 -179.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.2 t80 -122.31 136.31 54.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 177.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 46.8 mttp -119.16 144.64 46.56 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.567 -0.288 . . . . 0.0 110.513 178.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.8 p -144.7 119.08 3.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 N-CA-C 109.406 -0.59 . . . . 0.0 109.406 173.545 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 83.3 mtp -137.26 111.61 8.55 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.022 0.439 . . . . 0.0 111.271 -174.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pp -119.04 155.05 32.13 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.864 174.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 151.53 58.65 0.01 OUTLIER Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.076 -1.059 . . . . 0.0 113.151 -178.54 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.2 82.68 4.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 172.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.808 ' H ' HD23 ' A' ' 12' ' ' LEU . 1.8 pt? -95.37 114.79 26.6 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.156 -174.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -132.67 86.57 2.33 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.01 176.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.61 ' HE1' HD12 ' A' ' 12' ' ' LEU . 45.8 p90 -129.21 5.76 5.31 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.973 -176.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.438 HG23 HG23 ' A' ' 16' ' ' VAL . 20.0 m -79.87 -177.3 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -178.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.438 HG23 HG23 ' A' ' 15' ' ' VAL . 33.3 t 66.03 79.3 0.07 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.156 0 CA-C-O 121.579 0.704 . . . . 0.0 109.84 -176.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.657 ' HA ' ' HB3' ' A' ' 96' ' ' HIS . 9.0 t -127.57 -0.92 6.18 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.876 -173.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -91.63 -20.68 21.36 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.596 -175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.2 m -78.28 97.79 2.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.569 0.7 . . . . 0.0 111.096 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' HE1' ' HA ' ' A' ' 98' ' ' HIS . 44.6 t80 -111.95 -72.86 0.69 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.897 -174.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -113.82 -165.63 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.43 -173.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.681 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -73.6 131.95 42.25 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.84 179.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.22 167.52 27.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.191 0.52 . . . . 0.0 111.495 -175.476 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.702 HD13 HG23 ' A' ' 70' ' ' VAL . 18.3 mm -84.36 147.24 5.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 171.346 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.9 mmt -121.48 143.27 49.34 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.718 -0.393 . . . . 0.0 111.368 178.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 75.2 mttt -71.69 161.99 30.14 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 173.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 27' ' ' LYS . 12.4 mptt -63.69 -33.9 76.66 Favored 'General case' 0 C--N 1.32 -0.685 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.563 -173.727 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.613 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 8.9 t -71.73 -43.07 66.48 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.469 178.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -72.62 -39.55 67.17 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 120.792 0.33 . . . . 0.0 110.386 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.4 ' HA ' HG22 ' A' ' 33' ' ' VAL . 67.9 t80 -57.74 -48.27 80.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.454 178.254 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -62.96 -33.01 74.47 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.174 179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.613 ' HD3' ' O ' ' A' ' 28' ' ' THR . 14.3 mptt -74.46 -42.41 59.1 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.885 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' A' ' 30' ' ' PHE . 29.0 m -79.59 -20.55 12.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.698 -0.401 . . . . 0.0 110.796 -178.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.0 -21.04 63.19 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-O 121.243 0.544 . . . . 0.0 110.603 177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -62.73 -42.92 99.9 Favored 'General case' 0 N--CA 1.449 -0.48 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.89 178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -122.84 32.75 5.62 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-O 121.407 0.622 . . . . 0.0 111.661 -175.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.423 ' HD2' ' HB3' ' A' ' 88' ' ' TYR . 2.2 m-85 -113.78 179.93 3.82 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.523 174.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 22.5 m -128.27 144.76 51.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.856 0.36 . . . . 0.0 110.732 -176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -94.43 122.72 37.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.627 177.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.525 HG13 HG13 ' A' ' 87' ' ' ILE . 15.0 pt -116.61 7.87 7.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.01 0.433 . . . . 0.0 111.527 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 111.26 171.6 19.3 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.507 174.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 5.4 m -105.72 153.99 21.09 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 178.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 23.1 pt -121.22 164.51 17.81 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 176.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.527 ' HB2' HG22 ' A' ' 84' ' ' THR . 19.0 t -159.18 -179.58 8.13 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.981 0.42 . . . . 0.0 110.887 -176.375 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 7.0 t -153.82 157.77 39.85 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 172.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 87.3 m -155.51 130.84 9.58 Favored 'General case' 0 C--N 1.312 -1.06 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.113 -174.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.501 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . 141.64 -111.66 0.71 Allowed Glycine 0 N--CA 1.441 -1.005 0 C-N-CA 120.817 -0.706 . . . . 0.0 111.894 174.576 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -141.72 99.2 3.49 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.758 0.789 . . . . 0.0 110.455 -178.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 71.3 mmm -138.86 162.23 35.31 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.121 -0.945 . . . . 0.0 109.358 -176.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.4 m -89.77 148.53 40.12 Favored Pre-proline 0 C--N 1.319 -0.724 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 171.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -59.74 -41.07 58.47 Favored 'Trans proline' 0 CA--C 1.533 0.474 0 C-N-CA 122.127 1.885 . . . . 0.0 113.626 -171.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 57.9 tp -73.95 -37.5 64.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.175 0.512 . . . . 0.0 110.113 177.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -63.9 -36.17 83.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.352 178.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -75.48 -31.57 60.27 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.98 177.227 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 49.1 mtt180 -59.44 -51.1 71.32 Favored 'General case' 0 C--O 1.22 -0.486 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 176.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.416 ' HA ' HD12 ' A' ' 59' ' ' ILE . 39.9 mt-10 -67.29 -26.56 66.6 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.122 -177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.5 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 13.4 t70 -65.75 -48.25 72.49 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 173.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 68.3 mt -62.9 -44.23 96.66 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.183 177.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.416 HD12 ' HA ' ' A' ' 56' ' ' GLU . 50.8 mt -61.45 -48.97 86.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.14 -178.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.549 ' HE2' ' HA ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -63.58 -43.19 97.68 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.524 178.9 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 3.2 ttpt -63.07 -41.46 99.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.171 -179.474 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.32 -44.3 92.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.924 0.393 . . . . 0.0 110.869 175.34 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -64.62 -32.77 74.58 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.353 0.597 . . . . 0.0 110.612 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -78.2 -20.81 51.09 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.334 -0.848 . . . . 0.0 111.695 -179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -92.81 -28.04 16.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.928 0.394 . . . . 0.0 110.302 178.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 106.08 50.87 0.86 Allowed Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.878 -0.677 . . . . 0.0 113.185 175.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.532 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -95.19 168.85 10.5 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.14 0.495 . . . . 0.0 111.489 178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.681 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 17.2 t70 -126.36 -39.37 2.04 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.476 179.571 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 45.8 t -125.44 137.54 57.32 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.321 174.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.738 HG12 HG22 ' A' ' 87' ' ' ILE . 17.6 m -119.74 143.39 31.43 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.849 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.194 -178.485 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.6 t -127.29 115.28 40.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.037 179.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 90.4 mt -90.72 83.45 5.76 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.519 -178.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.8 p -73.9 -42.89 60.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.922 175.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 78.2 p 54.57 -166.75 0.09 Allowed 'General case' 0 CA--C 1.535 0.386 0 CA-C-N 115.015 -0.993 . . . . 0.0 113.158 174.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -146.76 139.16 7.8 Favored Glycine 0 N--CA 1.434 -1.466 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -76.94 72.67 3.52 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-O 121.883 0.849 . . . . 0.0 111.14 -174.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 27.3 m -150.49 90.89 1.69 Allowed 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.383 -1.281 . . . . 0.0 109.101 171.549 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -86.12 -21.36 27.65 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.605 -0.725 . . . . 0.0 112.031 -175.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -53.99 -66.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.313 0.577 . . . . 0.0 109.829 174.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.501 ' HB2' ' O ' ' A' ' 47' ' ' GLY . 17.5 pttp -131.01 113.29 13.79 Favored 'General case' 0 N--CA 1.446 -0.637 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 170.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.482 HG22 ' H ' ' A' ' 83' ' ' GLY . 1.6 mt -75.26 146.68 9.04 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.358 0 CA-C-N 114.836 -1.075 . . . . 0.0 112.117 -165.664 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.7 t-80 -143.8 25.5 1.62 Allowed 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 114.602 -1.181 . . . . 0.0 108.125 179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.482 ' H ' HG22 ' A' ' 81' ' ' ILE . . . -74.24 160.99 53.57 Favored Glycine 0 N--CA 1.445 -0.713 0 CA-C-N 114.924 -1.034 . . . . 0.0 113.469 -173.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.527 HG22 ' HB2' ' A' ' 44' ' ' SER . 23.8 p -123.13 155.32 37.23 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.026 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -131.52 133.44 45.08 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 174.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -107.91 127.06 53.41 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.114 -0.698 . . . . 0.0 109.114 -175.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.738 HG22 HG12 ' A' ' 70' ' ' VAL . 17.5 pt -116.27 152.8 17.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-O 121.613 0.72 . . . . 0.0 112.502 -171.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.423 ' HB3' ' HD2' ' A' ' 37' ' ' TYR . 32.2 m-85 -130.75 153.72 48.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.914 -1.039 . . . . 0.0 109.936 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 60.4 tptt -118.57 130.93 56.17 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.067 -179.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.3 ttmp? -69.9 134.81 48.84 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.724 0.297 . . . . 0.0 110.324 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.657 ' HB2' ' HG2' ' A' ' 93' ' ' GLU . 7.0 mtpm? -84.68 -169.05 2.44 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.281 0.562 . . . . 0.0 110.825 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.454 ' H ' HD23 ' A' ' 92' ' ' LEU . 1.1 pt? -111.8 25.82 11.23 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.655 -177.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.657 ' HG2' ' HB2' ' A' ' 91' ' ' LYS . 19.2 mm-40 -68.42 -162.5 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 114.816 -1.084 . . . . 0.0 111.471 -177.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 21.8 m80 -84.06 123.26 29.84 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.081 -177.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -178.55 157.04 0.95 Allowed 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.323 0.389 . . . . 0.0 110.775 -178.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . 0.657 ' HB3' ' HA ' ' A' ' 17' ' ' THR . 5.5 t60 -93.24 102.33 14.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 177.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -97.9 16.59 20.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.274 0.559 . . . . 0.0 111.739 -171.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . 0.48 ' HA ' ' HE1' ' A' ' 20' ' ' TYR . 17.7 m80 -140.9 -160.61 1.09 Allowed 'General case' 0 C--N 1.319 -0.751 0 O-C-N 122.099 -0.375 . . . . 0.0 110.326 177.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 7.5 p-80 . . . . . 0 C--O 1.243 0.741 0 N-CA-C 109.698 -0.482 . . . . 0.0 109.698 174.363 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.5 mtt . . . . . 0 N--CA 1.482 1.163 0 CA-C-O 120.382 0.134 . . . . 0.0 110.75 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.05 99.33 3.3 Favored 'General case' 0 C--N 1.333 -0.149 0 N-CA-C 108.672 -0.862 . . . . 0.0 108.672 172.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.1 t -132.19 -176.7 4.16 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.22 -169.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.02 55.1 0.05 OUTLIER Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 111.326 -0.71 . . . . 0.0 111.326 -177.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -129.93 89.08 2.75 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.077 0.465 . . . . 0.0 110.043 -177.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 6' ' ' LYS . 37.7 ttpt -155.75 104.44 2.33 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.964 -179.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 11.4 m -121.47 114.75 44.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-O 121.353 0.597 . . . . 0.0 110.895 179.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 66.8 mtt -107.84 103.28 12.51 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.424 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -149.74 157.53 43.31 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.961 178.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.58 36.35 3.55 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.88 -0.676 . . . . 0.0 111.735 -178.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -83.38 79.93 9.25 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.987 0.422 . . . . 0.0 110.935 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 48.5 tp -168.03 120.93 0.88 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.591 179.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.58 171.84 15.98 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.591 0.234 . . . . 0.0 111.016 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 40.5 p90 -130.95 157.76 42.08 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.007 178.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.5 p -127.64 113.09 29.95 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 121.564 0.697 . . . . 0.0 110.614 178.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 8.9 m -83.07 129.31 37.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.097 177.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.6 p -99.26 -176.94 3.45 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.628 -175.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 -148.71 171.98 15.34 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.858 -0.793 . . . . 0.0 108.858 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 m -69.18 143.01 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.695 0.284 . . . . 0.0 110.581 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -109.93 161.27 15.65 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.755 0.312 . . . . 0.0 110.85 -175.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -163.55 115.41 1.44 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.244 179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -76.73 99.59 5.14 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.409 0.443 . . . . 0.0 110.84 -179.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -109.32 153.34 24.04 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.96 -0.563 . . . . 0.0 112.345 -174.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.533 HD13 HG23 ' A' ' 70' ' ' VAL . 12.7 mm -94.56 134.0 33.56 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.6 173.013 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 23.5 mmt -119.81 159.32 24.8 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 177.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.456 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . 94.2 mttt -76.58 140.79 41.19 Favored 'General case' 0 C--O 1.216 -0.661 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 176.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -56.85 -33.15 66.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.795 0.294 . . . . 0.0 111.795 -170.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -68.47 -50.1 54.87 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.573 ' O ' HG22 ' A' ' 33' ' ' VAL . 1.5 p-10 -77.49 -31.97 53.94 Favored 'General case' 0 CA--C 1.513 -0.458 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.196 178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.532 ' HZ ' ' CE1' ' A' ' 88' ' ' TYR . 48.0 t80 -59.05 -44.75 91.84 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.245 177.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -65.59 -33.87 76.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.535 0.683 . . . . 0.0 110.047 -177.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -77.0 -37.67 54.65 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.178 -0.919 . . . . 0.0 112.028 179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 29' ' ' ASP . 34.6 m -88.06 -10.56 10.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.31 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.419 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . . . -64.08 -21.5 66.55 Favored 'General case' 0 CA--C 1.517 -0.32 0 CA-C-O 121.434 0.635 . . . . 0.0 109.625 174.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.1 t -57.03 -28.46 62.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.021 -0.991 . . . . 0.0 110.052 173.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HA ' ' HD2' ' A' ' 91' ' ' LYS . 12.6 mt-10 -105.42 19.95 19.72 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.04 179.163 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.533 ' CE2' HG23 ' A' ' 33' ' ' VAL . 21.7 m-30 -124.99 167.08 15.22 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.717 -0.22 . . . . 0.0 110.794 -178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 94.9 m -144.2 116.38 8.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.828 0.347 . . . . 0.0 110.291 179.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -67.05 137.6 56.55 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 178.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 pt -106.36 -23.2 4.55 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.905 177.556 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 158.12 172.34 25.15 Favored Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 120.688 -0.767 . . . . 0.0 111.973 179.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 7.1 m -105.85 153.32 22.1 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 178.152 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.528 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 13.5 pt -117.95 164.42 14.25 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 172.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 84' ' ' THR . 8.8 t -148.58 165.37 31.46 Favored 'General case' 0 C--N 1.318 -0.763 0 C-N-CA 120.38 -0.528 . . . . 0.0 111.687 -173.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.543 HG23 HD21 ' A' ' 58' ' ' LEU . 1.2 p -140.71 114.87 9.2 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.112 -0.949 . . . . 0.0 110.235 177.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 14.2 m -150.95 119.18 6.33 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 178.387 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 80' ' ' LYS . . . -179.55 -111.21 0.3 Allowed Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.974 -0.632 . . . . 0.0 111.732 -179.012 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.532 ' HA ' ' HB2' ' A' ' 80' ' ' LYS . 6.7 pt-20 -164.94 58.31 0.13 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.034 0.921 . . . . 0.0 110.051 174.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 78.7 mmm -111.41 -166.95 1.12 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.313 -179.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.7 p -99.77 143.0 25.64 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 174.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.423 ' HG2' HD12 ' A' ' 52' ' ' LEU . 17.2 Cg_endo -58.65 -53.12 4.24 Favored 'Trans proline' 0 C--N 1.343 0.27 0 C-N-CA 123.046 2.497 . . . . 0.0 113.903 -171.15 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.676 ' HG ' HH21 ' A' ' 55' ' ' ARG . 6.5 mp -63.12 -39.98 96.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.66 0.267 . . . . 0.0 110.975 -175.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -66.05 -46.75 76.71 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.855 -176.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.457 ' HB3' HD13 ' A' ' 81' ' ' ILE . . . -72.3 -26.57 62.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.065 -179.304 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.676 HH21 ' HG ' ' A' ' 52' ' ' LEU . 15.8 mtm180 -67.6 -38.91 84.65 Favored 'General case' 0 N--CA 1.446 -0.675 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 176.185 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.523 ' HA ' HD12 ' A' ' 59' ' ' ILE . 43.4 mt-10 -60.46 -36.87 79.29 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 116.532 -0.303 . . . . 0.0 110.339 173.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 14.2 t70 -64.63 -41.9 95.86 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 178.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.543 HD21 HG23 ' A' ' 45' ' ' THR . 77.4 mt -61.53 -47.94 83.28 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.612 174.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 56' ' ' GLU . 39.0 mt -59.74 -42.3 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.434 -179.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -67.93 -48.61 65.46 Favored 'General case' 0 C--O 1.218 -0.598 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.705 176.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 8.9 ttpt -59.91 -41.98 92.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.53 -176.384 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.89 -44.39 91.16 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.904 0.383 . . . . 0.0 111.19 174.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -68.24 -40.43 81.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.302 0.572 . . . . 0.0 110.233 178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -65.1 -33.94 77.22 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.188 -0.914 . . . . 0.0 110.867 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.39 -36.82 74.33 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 173.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.61 10.59 16.56 Favored Glycine 0 N--CA 1.447 -0.571 0 CA-C-N 115.599 -0.728 . . . . 0.0 113.381 174.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.511 ' HA ' ' CD ' ' A' ' 89' ' ' LYS . . . -63.69 143.11 58.1 Favored 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 117.201 0.5 . . . . 0.0 111.242 -177.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -90.37 -35.09 15.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.334 0.588 . . . . 0.0 110.62 -176.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.492 HG21 ' CE2' ' A' ' 37' ' ' TYR . 58.9 t -124.68 135.92 62.38 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.802 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.575 HG12 HG22 ' A' ' 87' ' ' ILE . 23.9 m -126.03 143.7 38.64 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.609 -178.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.2 t -129.09 108.93 17.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 93.5 mt -84.39 98.41 10.03 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.187 -176.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.14 -6.94 58.91 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.175 0.512 . . . . 0.0 111.206 174.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.687 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 21.4 p -53.97 103.68 0.09 Allowed 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.988 -1.005 . . . . 0.0 112.524 -178.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -163.85 -143.35 3.67 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 175.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 68.08 -61.15 0.39 Allowed 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.118 0.967 . . . . 0.0 112.109 178.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.63 ' O ' ' HA ' ' A' ' 81' ' ' ILE . 19.6 m -125.89 91.75 3.45 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.177 -0.675 . . . . 0.0 109.177 -172.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -80.35 -23.43 40.55 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.327 -0.851 . . . . 0.0 112.785 -176.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . 0.439 HD22 ' C ' ' A' ' 79' ' ' ASN . 0.2 OUTLIER -55.55 -70.78 0.1 Allowed 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -175.06 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 48' ' ' GLU . 18.7 pttm -106.24 6.18 30.5 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 121.235 0.54 . . . . 0.0 110.05 177.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.63 ' HA ' ' O ' ' A' ' 77' ' ' THR . 10.1 mt 69.62 148.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 114.336 -1.302 . . . . 0.0 111.82 179.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . 0.404 ' HB3' ' HB ' ' A' ' 77' ' ' THR . 23.9 t-80 -161.84 23.42 0.12 Allowed 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.641 -176.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.687 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -101.7 163.91 17.52 Favored Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.498 -0.858 . . . . 0.0 112.632 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.581 ' HA ' ' HA ' ' A' ' 44' ' ' SER . 36.5 p -121.24 -176.94 3.4 Favored 'General case' 0 C--N 1.318 -0.801 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 177.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.528 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -153.41 132.72 12.76 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 169.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -109.18 120.39 42.38 Favored 'General case' 0 C--N 1.316 -0.871 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 -174.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.575 HG22 HG12 ' A' ' 70' ' ' VAL . 26.1 pt -115.98 152.67 17.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.903 0 CA-C-N 115.758 -0.656 . . . . 0.0 112.116 -171.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.532 ' CE1' ' HZ ' ' A' ' 30' ' ' PHE . 62.8 m-85 -138.0 148.82 45.52 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.527 -174.108 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.511 ' CD ' ' HA ' ' A' ' 67' ' ' ALA . 28.0 mmmt -105.65 169.66 8.35 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 172.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? -83.8 150.12 25.98 Favored 'General case' 0 C--N 1.313 -0.983 0 CA-C-O 121.228 0.537 . . . . 0.0 110.903 174.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.451 ' HD2' ' HA ' ' A' ' 36' ' ' GLU . 41.5 mttp -75.51 -174.73 2.57 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.405 175.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.411 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 1.4 pp -92.22 25.1 3.04 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.522 0.677 . . . . 0.0 109.309 178.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.415 ' H ' ' HG3' ' A' ' 93' ' ' GLU . 0.0 OUTLIER -43.28 98.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 113.857 -1.52 . . . . 0.0 113.274 -179.033 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.496 ' H ' ' CD2' ' A' ' 94' ' ' HIS . 1.6 p80 -84.93 151.37 24.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.541 175.61 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.5 m170 56.62 84.05 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 O-C-N 123.518 0.512 . . . . 0.0 110.031 -173.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 27.1 m170 -60.95 101.91 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.43 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 8.0 t-160 -92.48 21.09 5.61 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.693 0.758 . . . . 0.0 109.72 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -140.2 127.26 20.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.253 -0.885 . . . . 0.0 109.597 179.225 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 38.4 m80 . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.719 -0.658 . . . . 0.0 110.025 -179.416 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.3 mtt . . . . . 0 N--CA 1.48 1.071 0 CA-C-O 120.863 0.363 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 97.0 mttt -102.95 99.02 8.9 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.232 0.539 . . . . 0.0 111.441 -173.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 51.4 m -131.99 114.72 14.94 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.551 -0.749 . . . . 0.0 109.24 174.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.01 145.82 14.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.416 -0.897 . . . . 0.0 112.525 -176.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -89.99 92.09 8.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.058 0.456 . . . . 0.0 110.407 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -78.79 -27.21 44.5 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.789 -179.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 4.1 p -122.26 79.79 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-O 121.81 0.814 . . . . 0.0 110.244 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 45.3 ttp -106.38 -9.41 16.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.101 178.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mp -101.49 129.78 47.62 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.761 177.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -150.77 122.32 1.36 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.469 -0.872 . . . . 0.0 112.304 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -133.49 129.81 37.69 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.862 0.363 . . . . 0.0 110.613 179.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -125.19 31.65 5.55 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.148 0.499 . . . . 0.0 110.259 178.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.34 111.09 20.72 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.563 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -76.4 90.12 3.23 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.291 0.567 . . . . 0.0 110.311 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 48.5 t -106.58 97.27 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.517 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 23.6 t -132.96 -76.32 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.956 176.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m 55.04 50.7 14.84 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-O 121.764 0.792 . . . . 0.0 110.362 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.5 t30 -103.02 -34.33 8.95 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.324 -0.853 . . . . 0.0 111.738 -174.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.6 m -74.54 86.89 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -174.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -80.51 -37.12 32.23 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 168.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.06 -166.04 2.43 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.03 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 68' ' ' ASP . . . -50.54 110.43 0.41 Allowed 'General case' 0 N--CA 1.464 0.255 0 O-C-N 123.793 0.683 . . . . 0.0 112.203 -178.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -122.73 153.69 39.13 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.261 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.697 HD13 HG23 ' A' ' 70' ' ' VAL . 29.5 mm -87.65 138.0 19.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.743 -0.662 . . . . 0.0 109.911 176.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 25.0 mmt -125.03 160.54 28.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.85 0.357 . . . . 0.0 111.055 178.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -74.73 160.66 30.47 Favored 'General case' 0 C--O 1.223 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.058 176.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -57.14 -53.1 61.95 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 9.5 t -69.78 -37.51 76.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.146 0.498 . . . . 0.0 111.158 -176.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -71.09 -37.89 72.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.326 -179.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.505 ' HA ' HG22 ' A' ' 33' ' ' VAL . 60.2 t80 -61.41 -41.94 97.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.597 175.772 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -65.93 -31.79 72.92 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.174 0.512 . . . . 0.0 110.635 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.64 -41.26 46.49 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.861 179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' A' ' 30' ' ' PHE . 33.8 m -79.01 -25.07 12.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.409 -0.516 . . . . 0.0 111.391 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -59.65 -22.58 62.09 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 120.949 0.404 . . . . 0.0 111.426 -179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 29.3 t -63.65 -33.13 74.94 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.686 179.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.437 ' CD ' ' HD1' ' A' ' 95' ' ' HIS . 14.6 mt-10 -107.66 28.62 7.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.564 0.697 . . . . 0.0 110.713 -178.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.572 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 11.0 m-85 -135.31 169.99 16.62 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.088 -0.96 . . . . 0.0 109.19 -179.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 23.3 m -129.17 150.35 50.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 -179.59 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.2 tttt -103.64 111.72 24.32 Favored 'General case' 0 C--N 1.314 -0.955 0 CA-C-O 121.525 0.679 . . . . 0.0 110.326 -177.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.559 ' HB ' ' HE3' ' A' ' 65' ' ' LYS . 5.9 pt -82.4 -7.73 10.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.188 -178.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 129.96 169.46 12.52 Favored Glycine 0 N--CA 1.445 -0.73 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.032 175.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.6 m -94.69 151.19 19.49 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.064 0.459 . . . . 0.0 109.943 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.541 HG13 HD22 ' A' ' 58' ' ' LEU . 16.1 pt -121.28 164.19 18.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.948 0 CA-C-N 116.078 -0.51 . . . . 0.0 109.905 177.225 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 9.6 t -150.37 166.98 28.4 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.031 -176.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 3.3 p -125.9 109.57 12.64 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.218 176.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 59.6 m -105.73 116.33 31.75 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-O 121.42 0.628 . . . . 0.0 110.759 -178.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 162.84 -126.38 1.54 Allowed Glycine 0 N--CA 1.436 -1.355 0 N-CA-C 110.225 -1.15 . . . . 0.0 110.225 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -162.49 95.79 0.93 Allowed 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.542 0.686 . . . . 0.0 111.151 179.157 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 25.3 mmt -136.02 178.06 7.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.696 -178.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.1 m -79.4 151.64 75.13 Favored Pre-proline 0 C--N 1.32 -0.687 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 172.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.462 ' O ' ' HG3' ' A' ' 55' ' ' ARG . 4.6 Cg_endo -50.09 -42.89 44.71 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.913 2.408 . . . . 0.0 113.566 -178.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.5 tt -67.68 -42.25 82.41 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -67.26 -37.98 84.37 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.047 0.451 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.01 -33.56 76.08 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.15 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.514 ' HD2' HD13 ' A' ' 72' ' ' LEU . 35.9 mtm180 -65.25 -45.88 82.81 Favored 'General case' 0 N--CA 1.448 -0.549 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.125 177.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.66 ' HA ' HD12 ' A' ' 59' ' ' ILE . 33.0 mt-10 -64.88 -33.27 75.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.273 -179.17 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.623 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 8.4 t70 -70.19 -31.76 69.38 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.308 0.575 . . . . 0.0 109.959 179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . 0.541 HD22 HG13 ' A' ' 43' ' ' ILE . 81.3 mt -72.52 -41.9 65.37 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.277 173.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.66 HD12 ' HA ' ' A' ' 56' ' ' GLU . 48.8 mt -59.91 -41.57 86.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.02 177.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.623 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 33.9 mtpt -56.11 -49.15 74.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.726 174.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -69.34 -38.76 78.3 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.637 -0.711 . . . . 0.0 112.351 -176.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.37 -41.53 89.52 Favored 'General case' 0 C--N 1.31 -1.137 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.216 173.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -67.24 -38.67 85.58 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.079 175.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -62.28 -30.59 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.734 179.145 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.559 ' HE3' ' HB ' ' A' ' 40' ' ' ILE . 33.0 tttp -99.45 -5.71 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.343 0.592 . . . . 0.0 110.782 -177.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.11 42.94 41.86 Favored Glycine 0 N--CA 1.446 -0.645 0 CA-C-N 115.754 -0.657 . . . . 0.0 113.088 175.625 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' HB2' HD12 ' A' ' 87' ' ' ILE . . . -75.12 148.07 40.01 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 175.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 22' ' ' ALA . 25.7 t70 -103.07 -34.23 8.96 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.487 0.66 . . . . 0.0 110.051 -176.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.419 HG23 ' CE2' ' A' ' 37' ' ' TYR . 56.3 t -125.16 139.2 51.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.572 -0.74 . . . . 0.0 109.401 174.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.697 HG23 HD13 ' A' ' 24' ' ' ILE . 24.1 m -129.65 144.09 39.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 120.886 0.374 . . . . 0.0 110.866 -178.008 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.9 t -123.1 112.28 33.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.514 HD13 ' HD2' ' A' ' 55' ' ' ARG . 96.5 mt -86.88 87.14 7.39 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.43 0.633 . . . . 0.0 110.873 -176.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 1.1 p -79.0 -11.36 60.01 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.973 176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.3 p -51.01 100.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.769 -1.105 . . . . 0.0 112.099 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 155.07 69.84 0.01 OUTLIER Glycine 0 N--CA 1.441 -0.992 0 C-N-CA 120.496 -0.859 . . . . 0.0 112.527 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 25.6 mp0 -61.71 -40.23 94.28 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 172.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 24.1 m -151.06 -92.14 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 114.688 -1.142 . . . . 0.0 108.768 169.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -153.38 -56.74 0.12 Allowed 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.809 0.338 . . . . 0.0 110.146 173.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -80.05 -49.83 11.22 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.344 0.592 . . . . 0.0 111.037 178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -81.24 45.09 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.615 -176.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.3 pt -98.62 149.51 5.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.9 0.857 . . . . 0.0 113.178 -175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -133.07 85.09 2.19 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 106.196 -1.779 . . . . 0.0 106.196 164.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.62 134.53 51.42 Favored Glycine 0 CA--C 1.508 -0.401 0 CA-C-N 115.209 -0.905 . . . . 0.0 114.108 -166.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . . . . . . . . . 19.8 p -133.27 146.92 51.84 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.016 -0.592 . . . . 0.0 109.883 178.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.43 ' HB2' HD13 ' A' ' 58' ' ' LEU . . . -131.56 134.78 46.43 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 122.198 -0.314 . . . . 0.0 110.377 178.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -103.52 112.52 25.47 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.648 HG22 HG12 ' A' ' 70' ' ' VAL . 26.2 pt -116.39 152.41 18.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.026 0 CA-C-O 121.578 0.704 . . . . 0.0 112.4 -170.644 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.45 ' HD2' ' HB3' ' A' ' 37' ' ' TYR . 5.3 m-85 -130.93 151.59 51.17 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.24 179.043 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -120.88 147.44 45.41 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 114.53 -1.213 . . . . 0.0 108.317 -171.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -64.8 149.15 49.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.286 0.565 . . . . 0.0 111.083 178.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.572 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 88.4 mttt -90.73 178.85 5.95 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.254 176.166 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 2.2 pp -94.54 13.2 24.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.583 0.706 . . . . 0.0 109.964 174.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -74.51 137.5 42.53 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.058 -0.974 . . . . 0.0 110.007 -179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -100.96 70.15 1.35 Allowed 'General case' 0 C--N 1.312 -1.031 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.976 -177.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . 0.437 ' HD1' ' CD ' ' A' ' 36' ' ' GLU . 3.9 t-160 -83.26 -65.86 0.96 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.674 -0.41 . . . . 0.0 109.966 178.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 39.7 t60 -131.24 91.61 3.06 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.862 0.363 . . . . 0.0 110.665 -177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 40.6 t60 -116.31 124.42 50.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 175.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -87.15 127.26 35.14 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 109.611 -0.514 . . . . 0.0 109.611 179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 48.8 t-80 . . . . . 0 C--O 1.246 0.918 0 CA-C-O 118.154 -0.926 . . . . 0.0 109.565 -178.19 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 46.5 ttm . . . . . 0 N--CA 1.477 0.925 0 CA-C-O 121.0 0.429 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -131.86 120.13 22.16 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.227 -177.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 13.4 t -157.37 156.09 31.69 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.242 -177.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.73 47.44 0.11 Allowed Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.77 -179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -89.98 99.85 12.78 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 175.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.415 ' HE2' ' HB3' ' A' ' 6' ' ' LYS . 13.8 ptpt -144.1 26.22 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.13 -175.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.8 116.27 23.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.835 177.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ptt? -149.29 114.87 5.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.775 177.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 pp -167.62 -179.24 4.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.022 -174.156 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 84.45 113.67 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 121.203 -0.522 . . . . 0.0 112.267 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -162.92 21.34 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.707 0.254 . . . . 0.0 111.659 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tt -115.23 110.66 19.78 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 -179.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -149.94 113.82 5.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.209 179.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -139.2 116.82 11.41 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.044 178.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 22.9 m -135.59 154.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.701 0.286 . . . . 0.0 110.752 -179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 59.5 t -133.55 89.31 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.112 0.482 . . . . 0.0 109.851 175.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.3 m -153.22 94.12 1.79 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.941 -0.572 . . . . 0.0 109.492 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.4 p-10 -105.28 126.75 52.44 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.185 0.516 . . . . 0.0 110.827 -176.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 50.8 t -125.68 119.25 54.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.813 -0.63 . . . . 0.0 109.385 177.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 5.9 t80 -112.88 39.66 2.48 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.525 0.678 . . . . 0.0 109.369 -177.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.94 109.3 7.86 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.304 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.433 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -67.8 119.47 12.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.912 179.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -117.35 155.75 29.04 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.635 -176.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HD13 HG23 ' A' ' 70' ' ' VAL . 32.6 mm -95.34 127.44 47.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.255 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.496 ' SD ' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -110.52 149.73 29.93 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.939 0.399 . . . . 0.0 111.3 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 29' ' ' ASP . 42.3 mtmt -63.86 155.22 31.27 Favored 'General case' 0 C--O 1.222 -0.364 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.078 177.248 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -57.79 -50.08 74.47 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.83 0.307 . . . . 0.0 111.83 -174.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.49 ' O ' ' HD3' ' A' ' 32' ' ' LYS . 10.0 m -69.09 -41.56 77.34 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.476 0.655 . . . . 0.0 110.606 -178.256 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.418 ' HB2' ' HE3' ' A' ' 26' ' ' LYS . 22.9 t70 -66.0 -41.71 90.69 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.583 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' HA ' HG22 ' A' ' 33' ' ' VAL . 54.2 t80 -61.36 -46.43 90.23 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.499 -179.673 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -29.26 68.02 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.395 -0.522 . . . . 0.0 110.184 -177.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 28' ' ' THR . 11.1 mptt -73.97 -45.02 52.78 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.018 176.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.51 HG22 ' HA ' ' A' ' 30' ' ' PHE . 32.8 m -77.55 -16.65 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 C-N-CA 120.657 -0.417 . . . . 0.0 111.045 -179.215 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.45 -20.81 63.54 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.181 0.515 . . . . 0.0 110.492 177.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -72.11 -31.56 66.14 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 115.543 -0.753 . . . . 0.0 109.533 175.105 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.47 ' HB3' ' HB2' ' A' ' 94' ' ' HIS . 12.3 mt-10 -105.39 18.37 22.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.521 -178.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.51 ' O ' ' HE3' ' A' ' 91' ' ' LYS . 7.7 m-85 -131.39 165.19 24.03 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.269 179.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 59.6 m -126.7 125.19 41.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.971 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.55 ' HZ3' ' CG ' ' A' ' 86' ' ' ASP . 63.4 tttp -75.11 109.22 8.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.317 176.595 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 pt -80.73 -11.82 12.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 121.003 0.43 . . . . 0.0 111.292 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.11 178.62 20.83 Favored Glycine 0 N--CA 1.442 -0.911 0 C-N-CA 120.861 -0.685 . . . . 0.0 111.779 177.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.6 m -106.59 154.15 21.31 Favored 'General case' 0 C--N 1.316 -0.852 0 N-CA-C 110.175 -0.305 . . . . 0.0 110.175 176.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.471 ' CG1' ' HB3' ' A' ' 85' ' ' ALA . 19.5 pt -120.61 163.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 174.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 23.5 t -153.19 172.82 16.37 Favored 'General case' 0 C--N 1.319 -0.756 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -175.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.57 HG21 ' HB1' ' A' ' 54' ' ' ALA . 73.7 p -117.63 115.91 26.02 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.022 0.439 . . . . 0.0 111.885 -178.287 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 31.8 m -119.03 111.23 18.05 Favored 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 171.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 158.28 -14.63 0.26 Allowed Glycine 0 N--CA 1.447 -0.59 0 CA-C-N 115.679 -0.691 . . . . 0.0 112.362 -177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 58.83 77.79 0.29 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.338 0.59 . . . . 0.0 111.335 176.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 26.3 mmt -116.13 176.75 4.95 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.568 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 20.7 m -64.46 143.15 98.52 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_endo -49.81 -46.47 27.37 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 123.278 2.652 . . . . 0.0 113.836 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.54 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 95.1 mt -71.02 -39.31 72.43 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.731 0.3 . . . . 0.0 110.68 -179.277 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 36.6 t70 -68.88 -41.28 78.56 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.551 -176.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.57 ' HB1' HG21 ' A' ' 45' ' ' THR . . . -65.69 -33.93 77.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.008 178.416 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 39.1 mtt180 -70.85 -44.45 66.39 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.132 179.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.599 ' HA ' HD12 ' A' ' 59' ' ' ILE . 26.3 mm-40 -58.73 -37.64 76.61 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.999 178.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.629 ' HA ' ' HD3' ' A' ' 60' ' ' LYS . 26.6 t70 -72.21 -34.75 68.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.853 0.358 . . . . 0.0 110.563 -178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 52.7 mt -62.67 -41.28 99.0 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.189 0.518 . . . . 0.0 109.878 174.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.599 HD12 ' HA ' ' A' ' 56' ' ' GLU . 20.5 mt -66.1 -40.43 87.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.069 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.629 ' HD3' ' HA ' ' A' ' 57' ' ' ASP . 30.0 mtpt -59.07 -57.93 10.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.763 174.362 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -66.1 -36.78 84.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.921 -171.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.581 ' HB1' HG21 ' A' ' 87' ' ' ILE . . . -60.66 -43.85 97.15 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.935 0.398 . . . . 0.0 110.822 172.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -42.84 99.78 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.706 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -64.65 -34.07 77.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.377 -0.829 . . . . 0.0 111.639 177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -67.28 -20.85 65.7 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.512 178.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 93.92 44.68 3.54 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.761 -0.733 . . . . 0.0 111.871 -178.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -94.26 143.95 25.94 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 177.209 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -90.92 -42.2 10.72 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.496 HG22 ' SD ' ' A' ' 25' ' ' MET . 98.4 t -125.54 139.48 51.19 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.831 178.509 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.609 HG12 HG22 ' A' ' 87' ' ' ILE . 31.2 m -125.83 143.27 39.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.824 0.345 . . . . 0.0 110.472 178.12 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.0 t -130.77 122.65 52.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.027 0.442 . . . . 0.0 110.232 178.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 97.2 mt -83.52 89.73 7.12 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -178.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 11.2 p -71.6 -47.66 53.27 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.813 174.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.544 ' HA ' ' H ' ' A' ' 84' ' ' THR . 29.9 m 55.31 -159.35 0.2 Allowed 'General case' 0 C--O 1.233 0.201 0 CA-C-N 114.979 -1.01 . . . . 0.0 112.628 170.284 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.94 119.38 3.29 Favored Glycine 0 N--CA 1.432 -1.615 0 N-CA-C 110.289 -1.124 . . . . 0.0 110.289 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.813 ' HA ' HE21 ' A' ' 76' ' ' GLN . 0.0 OUTLIER -59.34 -23.66 62.71 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.253 0.549 . . . . 0.0 110.804 179.61 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 7.7 p -84.91 69.79 10.81 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.294 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.704 ' HA ' HG23 ' A' ' 81' ' ' ILE . 31.3 tt0 -45.4 -41.36 9.1 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 114.974 -1.012 . . . . 0.0 112.623 -176.432 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -62.25 -26.12 68.21 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -176.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -137.88 40.78 2.34 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.934 0.397 . . . . 0.0 110.999 -177.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.704 HG23 ' HA ' ' A' ' 78' ' ' GLU . 12.4 pt -60.78 127.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 25.8 p-80 -86.64 -9.22 56.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.225 167.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.534 ' HA3' ' OG1' ' A' ' 45' ' ' THR . . . 66.22 135.44 0.03 OUTLIER Glycine 0 C--O 1.226 -0.388 0 CA-C-N 114.82 -1.082 . . . . 0.0 113.165 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.544 ' H ' ' HA ' ' A' ' 74' ' ' SER . 0.2 OUTLIER -154.25 151.54 29.27 Favored 'General case' 0 C--N 1.312 -1.039 0 O-C-N 122.555 -0.379 . . . . 0.0 110.723 178.013 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.471 ' HB3' ' CG1' ' A' ' 43' ' ' ILE . . . -156.14 141.81 17.84 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 171.167 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.55 ' CG ' ' HZ3' ' A' ' 39' ' ' LYS . 1.8 t70 -114.29 120.04 39.04 Favored 'General case' 0 CA--C 1.511 -0.53 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.609 HG22 HG12 ' A' ' 70' ' ' VAL . 24.5 pt -118.12 153.35 20.17 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 115.518 -0.764 . . . . 0.0 112.8 -172.579 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.43 ' HB3' ' HB3' ' A' ' 37' ' ' TYR . 19.5 m-85 -135.42 149.97 49.75 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.2 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -111.26 146.58 36.73 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 173.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -67.25 133.73 50.28 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.773 0.321 . . . . 0.0 110.868 -178.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.51 ' HE3' ' O ' ' A' ' 37' ' ' TYR . 91.9 mttt -77.74 -174.4 3.45 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.821 0.819 . . . . 0.0 111.622 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.423 ' H ' ' HG ' ' A' ' 92' ' ' LEU . 3.1 pp -85.7 -8.76 57.99 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.216 167.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.495 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.0 mt-10 -85.25 3.27 40.25 Favored 'General case' 0 C--O 1.226 -0.164 0 CA-C-N 115.159 -0.928 . . . . 0.0 110.841 -179.708 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 45.4 t60 -136.37 121.34 18.8 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.623 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 26.3 m80 -113.35 154.39 26.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.131 -177.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 76.7 t60 69.7 125.75 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.394 0 N-CA-C 113.839 1.051 . . . . 0.0 113.839 169.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 66.0 t-80 -129.16 129.59 45.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.282 -1.007 . . . . 0.0 108.282 167.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 39.9 t60 -77.39 129.55 35.94 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.682 0.277 . . . . 0.0 110.882 -174.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . . . . . . . . . 11.5 p-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.482 -0.77 . . . . 0.0 109.711 173.302 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.7 mtt . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 121.088 0.471 . . . . 0.0 110.12 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -119.44 97.49 5.68 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.188 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.0 t -74.01 -25.56 59.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.515 -177.511 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.23 135.88 2.56 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.539 -0.839 . . . . 0.0 112.658 178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -103.31 113.35 26.77 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 176.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -75.74 112.1 11.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.141 0.496 . . . . 0.0 111.499 -174.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 28.7 m -128.95 140.91 48.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.989 175.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.3 mtm -95.82 19.46 11.33 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.017 0.437 . . . . 0.0 110.591 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 mp -100.61 107.4 19.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.205 178.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -166.27 54.57 0.25 Allowed Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.674 179.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -138.96 128.78 24.89 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.632 0.253 . . . . 0.0 110.732 -178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' HB2' ' HE1' ' A' ' 14' ' ' PHE . 6.8 mp -87.23 -16.44 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.145 0.498 . . . . 0.0 109.81 178.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . 63.16 83.87 0.15 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.484 175.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.51 ' HE1' ' HB2' ' A' ' 12' ' ' LEU . 10.1 p90 -155.57 -164.28 1.71 Allowed 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.733 -0.84 . . . . 0.0 108.733 174.591 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.4 p -150.06 106.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.279 0.561 . . . . 0.0 111.688 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 31.1 m -87.52 160.88 2.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.413 171.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.2 p -109.26 13.94 24.05 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -73.93 101.09 3.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.871 -0.604 . . . . 0.0 112.351 -173.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 15.4 m -136.38 138.9 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 36.3 t80 -156.93 -79.86 0.08 Allowed 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.608 0.242 . . . . 0.0 110.79 -177.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -179.44 162.24 1.13 Allowed 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.476 -0.935 . . . . 0.0 108.476 -176.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.612 ' HB1' HG13 ' A' ' 70' ' ' VAL . . . -54.01 103.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 123.81 0.694 . . . . 0.0 112.106 -176.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -141.37 167.11 22.96 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.095 -0.502 . . . . 0.0 109.78 178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.689 HD13 HG23 ' A' ' 70' ' ' VAL . 31.4 mm -77.89 142.58 13.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.69 -177.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 18.2 mmt -120.9 159.66 25.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.713 0.292 . . . . 0.0 110.719 175.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.83 154.27 42.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.415 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -67.64 -35.28 78.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.199 0.523 . . . . 0.0 110.996 -174.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.7 p -70.65 -46.02 64.03 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.025 179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 33' ' ' VAL . 0.7 OUTLIER -66.76 -30.67 70.94 Favored 'General case' 0 C--O 1.212 -0.893 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.084 175.959 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.539 ' HA ' HG22 ' A' ' 33' ' ' VAL . 65.9 t80 -57.6 -44.3 85.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.952 0.406 . . . . 0.0 111.154 176.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -67.8 -31.13 70.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.133 0.492 . . . . 0.0 110.734 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -83.73 -33.24 25.14 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.984 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.618 ' HB ' ' CD1' ' A' ' 37' ' ' TYR . 26.4 m -82.67 -10.88 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 122.372 -0.205 . . . . 0.0 110.528 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -60.28 -14.38 17.77 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-O 121.368 0.604 . . . . 0.0 110.294 172.09 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -90.15 -32.02 16.82 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.924 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -101.25 -4.07 27.81 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.673 0.619 . . . . 0.0 112.673 -176.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.618 ' CD1' ' HB ' ' A' ' 33' ' ' VAL . 15.6 m-85 -120.11 176.97 5.18 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.153 0.502 . . . . 0.0 111.484 -174.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.4 m -141.81 162.09 36.34 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.338 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -108.78 109.81 21.03 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.526 -0.546 . . . . 0.0 109.526 -175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.8 pt -85.01 -3.21 8.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.776 0.322 . . . . 0.0 111.459 -178.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.07 169.6 11.61 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 121.014 -0.612 . . . . 0.0 111.951 177.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -106.45 150.67 25.84 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 174.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.444 HG13 ' HB3' ' A' ' 85' ' ' ALA . 24.0 pt -121.95 165.64 17.51 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 175.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.585 ' HB3' HG22 ' A' ' 84' ' ' THR . 1.4 p -147.31 172.16 14.31 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-O 120.804 0.335 . . . . 0.0 111.533 -177.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 5.4 p -96.55 129.68 43.88 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.419 178.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 39.7 m -145.5 135.31 23.51 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.372 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.68 -13.3 17.85 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.838 178.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 57.38 79.56 0.19 Allowed 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.314 0.646 . . . . 0.0 111.966 178.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 21.8 mmt -102.4 -164.39 1.08 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.532 178.263 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.3 m -83.39 150.35 60.14 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 173.026 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 5.6 Cg_endo -47.86 -52.59 7.92 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 123.491 2.794 . . . . 0.0 113.985 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -75.29 -26.52 58.8 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.63 0.252 . . . . 0.0 111.232 -177.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -77.06 -34.15 57.14 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.297 0.57 . . . . 0.0 110.057 179.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -67.68 -33.2 74.46 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.712 -0.676 . . . . 0.0 109.916 175.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -63.11 -42.71 99.62 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.932 173.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' O ' ' HG2' ' A' ' 60' ' ' LYS . 19.3 mm-40 -54.4 -42.66 70.7 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.662 174.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.691 ' O ' ' HB2' ' A' ' 61' ' ' LYS . 21.4 t70 -63.27 -44.9 93.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.002 0.429 . . . . 0.0 109.98 -179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LEU . . . . . . . . . . . . . 43.9 mt -66.32 -47.15 74.47 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.212 -178.439 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.55 -43.84 96.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.062 -177.092 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.559 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 33.5 mmtp -73.3 -40.25 64.68 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.554 -0.293 . . . . 0.0 110.848 -179.168 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.691 ' HB2' ' O ' ' A' ' 57' ' ' ASP . 5.5 ttpt -61.64 -39.23 90.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.737 0.303 . . . . 0.0 110.883 179.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -58.16 -42.2 85.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 173.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -67.67 -36.92 81.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.973 176.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.559 ' HG2' ' O ' ' A' ' 60' ' ' LYS . 57.2 mm-40 -56.16 -40.77 74.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.667 178.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -87.47 -25.65 23.62 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.961 -0.295 . . . . 0.0 110.349 179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.78 86.37 1.74 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.604 176.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -124.33 160.45 28.04 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.732 0.301 . . . . 0.0 110.654 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -104.38 -36.03 7.73 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.493 0.663 . . . . 0.0 110.264 177.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.55 142.07 43.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.213 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.825 HG12 HG22 ' A' ' 87' ' ' ILE . 27.8 m -124.23 143.23 38.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 174.006 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 55.6 t -126.82 108.05 18.16 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 176.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 89.6 mt -74.87 90.43 2.39 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.973 0.416 . . . . 0.0 110.683 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.62 -2.34 46.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.292 178.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.5 ' HA ' ' HA3' ' A' ' 83' ' ' GLY . 60.0 m -60.28 104.51 0.33 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.732 175.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.96 -77.03 0.66 Allowed Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 115.43 -0.805 . . . . 0.0 113.261 -177.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 44.2 tp60 -80.35 68.02 6.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.849 0.833 . . . . 0.0 109.999 -175.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.767 ' HA ' HG22 ' A' ' 81' ' ' ILE . 13.3 m -92.81 80.84 4.67 Favored 'General case' 0 C--N 1.309 -1.166 0 CA-C-N 114.586 -1.188 . . . . 0.0 111.434 -177.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -157.63 -48.82 0.07 Allowed 'General case' 0 C--N 1.313 -1.004 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.538 171.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -116.91 -79.89 0.6 Allowed 'General case' 0 N--CA 1.447 -0.594 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.521 -176.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -81.84 51.69 1.77 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.486 0.66 . . . . 0.0 110.761 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.767 HG22 ' HA ' ' A' ' 77' ' ' THR . 28.9 pt -58.35 117.24 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.653 -179.085 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -152.44 25.91 0.59 Allowed 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 176.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.5 ' HA3' ' HA ' ' A' ' 74' ' ' SER . . . -80.97 -174.01 48.21 Favored Glycine 0 N--CA 1.442 -0.924 0 CA-C-N 114.787 -1.097 . . . . 0.0 112.204 -177.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' THR . . . . . 0.585 HG22 ' HB3' ' A' ' 44' ' ' SER . 41.1 p -125.08 177.19 6.21 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 121.049 0.452 . . . . 0.0 111.032 -175.283 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.444 ' HB3' HG13 ' A' ' 43' ' ' ILE . . . -144.55 132.06 20.95 Favored 'General case' 0 C--N 1.315 -0.929 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 168.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -102.44 117.26 34.34 Favored 'General case' 0 C--N 1.316 -0.873 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 -179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.825 HG22 HG12 ' A' ' 70' ' ' VAL . 19.8 pt -107.67 151.99 9.51 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.073 0 CA-C-O 121.224 0.535 . . . . 0.0 110.681 -176.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' TYR . . . . . 0.42 ' CE1' ' HE1' ' A' ' 30' ' ' PHE . 93.5 m-85 -136.28 143.23 44.11 Favored 'General case' 0 C--N 1.317 -0.814 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.29 -175.373 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 21.7 tptp -111.2 139.06 46.89 Favored 'General case' 0 C--N 1.309 -1.175 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.05 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -75.8 141.42 42.52 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 178.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -72.1 -172.4 0.87 Allowed 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.161 0.505 . . . . 0.0 111.308 -176.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.462 ' H ' HD23 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -102.12 -7.61 22.1 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.851 -0.613 . . . . 0.0 111.459 -169.682 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.05 112.05 4.18 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 174.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 50.2 p-80 -152.77 132.96 13.52 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.394 -177.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 64.4 m170 -121.49 168.25 11.92 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 178.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -102.39 151.51 22.18 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.831 0.348 . . . . 0.0 110.967 -177.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 85.8 m-70 -131.1 -68.88 0.65 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.572 174.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -142.09 122.64 14.15 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.247 0.546 . . . . 0.0 110.141 172.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' HIS . . . . . 0.455 ' CD2' ' H ' ' A' ' 99' ' ' HIS . 7.2 p80 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.347 178.063 . . . . . . . . 1 1 . 1 stop_ save_