data_2l2p_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 2l2p _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 p -77.95 155.43 30.84 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.913 1.685 . . . . 0.0 112.208 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.32 167.89 10.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 113.277 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -163.38 156.38 18.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.213 1.805 . . . . 0.0 112.607 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -104.76 140.73 37.66 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.448 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.51 117.7 6.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.189 1.796 . . . . 0.0 111.601 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.72 -27.44 64.97 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.877 0.871 . . . . 0.0 112.293 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -164.14 158.16 18.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.506 1.922 . . . . 0.0 111.089 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.95 151.47 46.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.378 . . . . 0.0 112.751 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -155.01 156.21 35.55 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.108 1.763 . . . . 0.0 111.143 -169.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.39 122.37 5.94 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.701 -1.249 . . . . 0.0 109.531 -170.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 127.27 31.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -159.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -81.04 -36.19 30.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.91 2.484 . . . . 0.0 113.672 -171.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -109.61 -31.79 7.35 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.722 1.609 . . . . 0.0 113.172 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 95.1 -3.75 0.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 130.259 3.424 . . . . 0.0 113.06 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.12 -15.5 31.49 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.228 1.011 . . . . 0.0 112.422 162.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -82.33 168.65 17.34 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.819 2.047 . . . . 0.0 112.492 166.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -113.99 135.1 54.37 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.886 1.674 . . . . 0.0 110.426 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 150.94 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.777 0.831 . . . . 0.0 112.318 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -142.32 171.94 13.37 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 122.88 1.324 . . . . 0.0 113.152 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -149.55 146.29 27.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.054 1.742 . . . . 0.0 108.455 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -48.9 119.51 3.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.199 0.999 . . . . 0.0 113.0 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.55 4.17 90.23 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.625 1.583 . . . . 0.0 115.784 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.5 136.06 55.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.282 2.041 . . . . 0.0 111.537 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -87.55 135.11 33.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.164 0.986 . . . . 0.0 112.433 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -141.17 170.4 15.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.65 1.58 . . . . 0.0 112.486 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -140.02 145.44 37.77 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.41 2.284 . . . . 0.0 108.637 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.06 124.95 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.638 1.175 . . . . 0.0 109.356 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 -36.57 12.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.906 1.682 . . . . 0.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -156.14 136.6 13.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 113.146 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -117.22 -3.39 11.49 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.607 2.763 . . . . 0.0 113.965 -174.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -65.41 -19.6 66.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -164.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.58 -6.72 54.69 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.013 0.824 . . . . 0.0 112.745 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.56 4.35 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.895 2.188 . . . . 0.0 113.994 170.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -89.34 -37.39 14.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.215 1.806 . . . . 0.0 112.671 -171.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -130.54 134.95 47.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.293 1.437 . . . . 0.0 111.173 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -116.73 141.59 48.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.964 1.706 . . . . 0.0 112.121 -171.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -75.83 111.48 11.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.275 1.83 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.64 153.46 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 127.575 2.35 . . . . 0.0 110.273 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -133.01 136.7 46.17 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 125.475 1.51 . . . . 0.0 109.864 161.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -71.8 142.68 49.66 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 123.403 0.681 . . . . 0.0 111.102 167.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -94.93 -30.89 13.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.38 1.472 . . . . 0.0 112.433 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 p -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.825 1.65 . . . . 0.0 111.471 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -110.33 -43.16 3.96 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.676 1.99 . . . . 0.0 113.525 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.98 3.05 39.4 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.249 1.404 . . . . 0.0 115.112 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.12 137.73 56.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.009 1.404 . . . . 0.0 110.916 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.0 m -122.79 147.65 46.28 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.086 1.754 . . . . 0.0 109.262 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.16 -151.12 11.7 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.471 1.51 . . . . 0.0 113.675 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -113.67 153.4 28.98 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 pt -136.48 153.3 76.05 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 126.642 1.977 . . . . 0.0 110.705 163.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -61.17 135.13 56.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.233 1.955 . . . . 0.0 109.262 163.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -61.65 -35.75 25.14 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--N 1.36 1.171 0 CA-C-N 122.614 1.969 . . . . 0.0 113.442 -178.88 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -175.01 160.93 2.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.466 1.907 . . . . 0.0 110.874 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.81 176.58 6.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.293 1.037 . . . . 0.0 112.968 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -162.84 157.82 21.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.661 2.784 . . . . 0.0 109.945 170.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -117.15 134.01 55.3 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.697 0.799 . . . . 0.0 108.96 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.26 118.11 7.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.43 1.492 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.6 mt -85.04 -4.09 59.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.069 1.348 . . . . 0.0 112.551 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -161.03 173.16 15.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.43 1.492 . . . . 0.0 112.005 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.62 154.14 17.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.891 1.676 . . . . 0.0 112.595 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -159.45 166.03 31.85 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.671 1.588 . . . . 0.0 112.884 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -155.67 120.17 4.66 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.642 1.577 . . . . 0.0 109.635 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 133.61 50.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -94.77 -36.74 11.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.168 1.787 . . . . 0.0 114.574 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -94.04 -37.17 11.77 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.014 1.279 . . . . 0.0 111.508 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 105.21 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 131.239 3.816 . . . . 0.0 111.72 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -88.32 -17.47 30.56 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.058 1.743 . . . . 0.0 112.502 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -80.29 162.79 24.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.434 1.893 . . . . 0.0 112.381 166.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.4 mt -106.63 154.3 21.12 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 125.497 1.519 . . . . 0.0 111.237 -176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -105.81 149.22 26.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.806 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.0 160.96 40.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 122.633 1.206 . . . . 0.0 113.337 -168.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -123.24 148.47 45.83 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 113.822 -1.536 . . . . 0.0 109.075 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -56.04 123.81 15.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.251 0.548 . . . . 0.0 111.333 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.06 -13.09 45.07 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 117.54 -1.7 . . . . 0.0 115.0 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.8 135.09 56.35 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.359 2.08 . . . . 0.0 110.475 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.19 126.03 40.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.458 1.103 . . . . 0.0 110.52 177.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -112.26 145.84 39.25 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.037 1.735 . . . . 0.0 111.432 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -100.79 131.08 46.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.118 1.767 . . . . 0.0 107.412 161.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.0 117.38 42.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 109.162 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -86.07 -41.42 14.8 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.148 1.779 . . . . 0.0 111.448 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -168.49 143.71 3.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 126.304 1.842 . . . . 0.0 111.75 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 m -95.01 56.31 1.93 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.613 1.673 . . . . 0.0 112.735 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -79.18 -36.37 40.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -139.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -107.41 19.27 20.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.653 1.181 . . . . 0.0 111.311 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.41 -34.53 1.34 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.882 2.182 . . . . 0.0 114.427 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.36 -20.98 3.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 112.744 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -120.67 121.46 38.34 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.117 0.967 . . . . 0.0 109.315 167.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -111.85 155.74 23.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.099 0.96 . . . . 0.0 112.362 -171.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.57 123.73 33.91 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 109.598 171.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.85 172.46 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 125.642 1.577 . . . . 0.0 111.684 -170.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -144.26 153.59 42.2 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.349 159.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 t -52.15 123.31 10.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.505 155.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.26 -42.67 83.49 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.196 164.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.9 m -63.73 -38.39 90.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.74 2.016 . . . . 0.0 113.88 -171.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -115.35 -40.08 3.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 112.096 -176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.29 -1.62 46.85 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.117 1.817 . . . . 0.0 114.516 -171.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.48 134.16 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.107 1.454 . . . . 0.0 110.614 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.2 m -122.98 147.58 46.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.76 2.024 . . . . 0.0 110.006 -165.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.5 -152.5 20.54 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.951 1.263 . . . . 0.0 114.572 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -103.13 169.95 8.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 112.926 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 pp -156.4 156.55 30.28 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 126.232 1.813 . . . . 0.0 110.376 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 112.72 3.6 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.938 2.425 . . . . 0.0 109.339 158.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -47.37 -55.59 15.69 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.424 1.49 . . . . 0.0 113.758 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--N 1.354 0.864 0 C-N-CA 122.622 2.214 . . . . 0.0 113.885 -171.829 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -174.41 165.4 3.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.644 2.378 . . . . 0.0 110.779 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.1 176.88 5.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 112.219 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -164.84 157.37 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 111.608 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -122.74 133.22 54.48 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.537 1.135 . . . . 0.0 109.683 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 118.89 7.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.086 1.754 . . . . 0.0 110.75 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.64 -1.62 58.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.02 1.328 . . . . 0.0 112.999 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -157.74 170.05 23.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.355 1.462 . . . . 0.0 112.373 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.02 150.76 20.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.724 1.609 . . . . 0.0 112.663 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -160.08 166.52 29.71 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.069 1.748 . . . . 0.0 112.523 -173.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -151.41 121.53 7.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 109.765 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.05 133.46 56.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.37 1.468 . . . . 0.0 114.587 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -102.65 -38.22 7.59 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.484 1.514 . . . . 0.0 114.245 -162.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.4 -27.14 19.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.402 1.481 . . . . 0.0 111.594 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 100.68 -20.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 130.844 3.658 . . . . 0.0 111.168 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -92.75 -10.81 35.68 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.648 1.979 . . . . 0.0 112.82 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.16 179.42 7.49 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.905 2.082 . . . . 0.0 112.181 163.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -125.7 147.16 49.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.683 1.193 . . . . 0.0 112.1 -162.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 m -108.48 147.39 31.75 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.786 0.834 . . . . 0.0 112.165 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -155.84 157.8 37.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 122.72 1.248 . . . . 0.0 113.716 -170.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -121.61 152.2 39.55 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.735 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -59.44 123.64 17.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.323 0.582 . . . . 0.0 111.628 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.64 -11.46 42.33 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.736 2.112 . . . . 0.0 115.2 -170.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.82 138.16 50.1 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 120.099 1.95 . . . . 0.0 111.026 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.87 134.99 41.96 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.407 1.083 . . . . 0.0 112.47 -174.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.89 150.4 41.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.253 1.821 . . . . 0.0 112.13 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.66 135.5 48.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.344 2.258 . . . . 0.0 108.075 169.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.35 117.88 43.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 124.895 1.278 . . . . 0.0 109.905 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.4 mt -88.39 -32.46 18.34 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.118 1.767 . . . . 0.0 111.174 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -168.65 149.9 4.76 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.709 2.004 . . . . 0.0 113.125 170.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 m -99.18 54.04 0.97 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.453 2.301 . . . . 0.0 112.833 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -81.1 -46.26 15.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -136.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -111.26 6.03 20.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.673 1.589 . . . . 0.0 110.907 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.55 -56.5 3.77 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 126.831 2.158 . . . . 0.0 113.369 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -81.35 -23.38 37.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.717 2.007 . . . . 0.0 111.998 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -134.33 140.17 46.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.745 1.618 . . . . 0.0 111.539 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -124.92 163.08 23.04 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.57 1.148 . . . . 0.0 113.51 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.18 119.71 35.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.714 1.606 . . . . 0.0 109.592 170.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 m -145.95 174.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.13 -1.396 . . . . 0.0 111.847 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -145.3 156.4 43.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.39 159.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -54.6 125.36 19.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.708 0.766 . . . . 0.0 110.273 155.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.58 -38.42 67.88 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.949 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -63.55 -42.79 98.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.079 2.152 . . . . 0.0 113.832 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -110.42 -37.75 5.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.19 -7.7 40.89 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.546 2.022 . . . . 0.0 113.972 -172.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.68 133.0 48.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.794 1.297 . . . . 0.0 111.672 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -121.02 149.58 42.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.766 2.026 . . . . 0.0 110.985 -158.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.98 -137.22 5.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.68 1.61 . . . . 0.0 113.353 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -117.9 162.49 18.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 112.859 -173.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 pp -148.72 154.5 40.68 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.46 1.904 . . . . 0.0 109.741 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -76.35 122.35 6.52 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 122.542 2.161 . . . . 0.0 108.704 159.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -52.26 -57.45 15.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.471 1.908 . . . . 0.0 113.655 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo . . . . . 0 C--N 1.356 0.945 0 C-N-CA 122.222 1.948 . . . . 0.0 113.192 -172.71 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -164.31 160.96 21.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.598 1.559 . . . . 0.0 111.954 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.28 167.91 9.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.125 1.77 . . . . 0.0 113.088 -171.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -164.15 154.19 14.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.52 1.928 . . . . 0.0 112.08 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -126.2 133.18 51.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.156 1.382 . . . . 0.0 110.029 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 125.57 27.13 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.76 2.024 . . . . 0.0 112.046 -175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -86.9 -18.24 31.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -145.43 172.66 12.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.983 1.313 . . . . 0.0 112.866 -170.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.61 149.78 23.39 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.231 1.413 . . . . 0.0 112.748 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -158.09 167.15 30.67 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.914 1.685 . . . . 0.0 113.002 -166.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -151.87 125.61 9.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.759 1.624 . . . . 0.0 108.988 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 127.38 31.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.826 1.65 . . . . 0.0 114.723 -167.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -87.25 -36.37 17.98 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.628 1.571 . . . . 0.0 114.434 -166.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -133.08 -10.66 2.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.131 1.372 . . . . 0.0 113.596 -167.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 98.21 -8.96 0.06 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 129.758 3.223 . . . . 0.0 113.374 154.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -79.0 -26.08 43.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.582 2.353 . . . . 0.0 112.379 157.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -82.4 165.52 20.2 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.249 1.82 . . . . 0.0 112.828 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 mt -118.75 147.98 43.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.685 1.594 . . . . 0.0 110.485 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -91.15 142.61 27.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.79 -0.569 . . . . 0.0 111.701 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -140.89 157.85 44.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 122.543 1.163 . . . . 0.0 112.321 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -119.84 159.39 24.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.087 168.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -51.41 122.03 7.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.663 0.785 . . . . 0.0 110.079 171.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.01 -11.14 58.78 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.918 1.723 . . . . 0.0 115.867 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.94 143.24 56.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.842 1.821 . . . . 0.0 110.959 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -112.86 134.84 54.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.61 1.964 . . . . 0.0 111.973 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -130.17 153.75 48.22 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.984 2.113 . . . . 0.0 111.258 -169.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.96 143.71 51.21 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.743 1.217 . . . . 0.0 109.493 160.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.6 mm -101.32 121.74 52.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 125.541 1.536 . . . . 0.0 109.106 -171.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.56 -41.19 14.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.273 1.829 . . . . 0.0 111.581 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -175.93 130.21 0.24 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.639 1.576 . . . . 0.0 111.665 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -121.29 17.1 11.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.628 1.171 . . . . 0.0 113.11 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -60.41 -26.64 66.84 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.14 0.85 57.47 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.758 1.223 . . . . 0.0 113.571 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.32 -49.51 3.82 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 126.843 2.163 . . . . 0.0 116.226 157.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.49 -29.79 12.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.461 1.905 . . . . 0.0 112.857 -172.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.97 127.54 46.1 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.523 1.529 . . . . 0.0 109.093 165.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -107.62 155.18 20.42 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.828 0.851 . . . . 0.0 112.272 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.06 128.22 33.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.353 1.061 . . . . 0.0 109.458 166.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.19 171.93 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 126.397 1.879 . . . . 0.0 112.6 -173.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -141.8 140.4 33.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 127.55 2.34 . . . . 0.0 108.501 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -66.85 129.08 38.7 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 123.841 0.856 . . . . 0.0 110.826 165.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.79 -37.68 76.42 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.155 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -67.4 -43.03 82.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.678 1.991 . . . . 0.0 113.754 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -108.44 -40.99 4.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.654 1.181 . . . . 0.0 112.479 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.23 4.26 53.63 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.9 1.714 . . . . 0.0 114.362 -168.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.37 140.74 57.22 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.948 1.374 . . . . 0.0 111.736 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 p -118.45 142.68 47.33 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.844 2.458 . . . . 0.0 111.921 -170.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.36 -151.85 19.19 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.178 1.371 . . . . 0.0 114.659 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -110.81 171.62 7.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.491 1.916 . . . . 0.0 113.55 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -155.07 154.42 28.77 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 127.105 2.162 . . . . 0.0 110.837 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.47 96.41 0.94 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.474 2.783 . . . . 0.0 109.062 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -53.68 -47.24 97.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 127.303 2.241 . . . . 0.0 115.71 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo . . . . . 0 C--N 1.357 1.008 0 C-N-CA 122.232 1.955 . . . . 0.0 113.091 179.687 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -70.23 152.96 43.64 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.563 2.345 . . . . 0.0 112.072 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.55 168.03 9.53 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.407 1.083 . . . . 0.0 112.891 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.57 160.15 31.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.759 1.623 . . . . 0.0 112.359 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -110.54 143.45 40.89 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.87 0.868 . . . . 0.0 109.491 168.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.16 115.99 4.22 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.312 1.845 . . . . 0.0 112.089 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.65 -36.13 80.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.41 0.684 . . . . 0.0 111.866 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -158.24 158.19 34.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.634 1.574 . . . . 0.0 111.547 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.71 149.02 49.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.64 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -156.15 155.64 32.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.291 1.436 . . . . 0.0 111.934 -169.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -159.18 127.51 5.12 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.119 -0.988 . . . . 0.0 110.948 -171.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.83 121.32 11.43 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -156.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -83.04 -41.91 18.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.064 1.745 . . . . 0.0 113.563 -172.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -96.61 -32.64 12.13 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.488 1.515 . . . . 0.0 111.862 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 98.43 -9.33 0.05 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 131.377 3.871 . . . . 0.0 112.334 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.86 -17.02 42.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.395 1.478 . . . . 0.0 112.531 167.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.92 167.97 12.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.932 2.493 . . . . 0.0 113.821 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -114.93 148.33 38.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.959 2.103 . . . . 0.0 111.191 -167.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -117.28 151.67 36.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -147.64 167.74 23.82 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.996 1.379 . . . . 0.0 113.866 -166.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -132.54 144.49 50.45 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.434 2.294 . . . . 0.0 107.522 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -52.26 129.37 27.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.158 0.98 . . . . 0.0 112.276 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.52 83.64 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.118 1.818 . . . . 0.0 115.85 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.66 144.09 56.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.686 2.243 . . . . 0.0 111.767 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.01 130.14 50.0 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 112.148 -169.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.64 165.59 27.06 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.61 1.564 . . . . 0.0 112.347 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -133.51 139.49 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.802 2.041 . . . . 0.0 108.655 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.9 mm -85.86 131.04 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.29 -30.51 11.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.086 1.754 . . . . 0.0 111.979 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -152.67 130.02 11.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.35 1.46 . . . . 0.0 111.842 174.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.9 p -114.27 -6.02 12.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.945 2.098 . . . . 0.0 113.512 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.9 m -88.32 -3.42 58.85 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.135 -1.603 . . . . 0.0 114.477 -161.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.99 -14.62 62.79 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 121.727 -0.608 . . . . 0.0 111.971 157.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.79 -51.56 4.31 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 127.405 2.431 . . . . 0.0 114.727 166.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.9 -43.87 14.84 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 111.945 -175.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -127.7 140.31 52.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.133 1.373 . . . . 0.0 111.099 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 47.6 m0 -114.81 140.21 49.11 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.958 1.703 . . . . 0.0 111.458 -173.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.54 123.76 26.04 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.978 1.311 . . . . 0.0 109.367 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.38 155.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 126.442 1.897 . . . . 0.0 110.168 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -129.52 137.58 50.87 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 124.721 1.208 . . . . 0.0 109.779 158.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -71.35 146.89 48.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 159.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -97.75 -28.46 13.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.119 1.367 . . . . 0.0 112.154 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.7 p -67.3 -44.48 79.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.528 1.931 . . . . 0.0 111.59 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -117.74 -6.77 11.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.217 2.607 . . . . 0.0 113.807 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.76 -0.77 56.05 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.912 1.244 . . . . 0.0 115.971 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.27 128.85 37.53 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.005 1.403 . . . . 0.0 111.734 -172.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -113.92 146.51 39.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.845 1.658 . . . . 0.0 109.649 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.31 -142.35 7.13 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 125.698 1.618 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -124.22 150.27 45.45 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.5 pt -131.45 149.9 74.87 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.634 1.574 . . . . 0.0 111.487 165.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 135.34 37.27 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.503 2.135 . . . . 0.0 108.32 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 p -60.08 -37.46 48.76 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 CA-C-N 122.77 2.025 . . . . 0.0 113.042 -177.267 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -174.73 171.95 3.1 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.845 2.458 . . . . 0.0 110.731 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -107.69 173.75 6.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.662 1.985 . . . . 0.0 112.2 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -158.23 157.93 33.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.445 1.898 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -125.74 130.59 51.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.248 1.019 . . . . 0.0 109.985 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.67 122.29 16.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.276 1.83 . . . . 0.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 mt -94.33 6.09 49.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.787 1.635 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.22 166.62 27.48 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.943 1.697 . . . . 0.0 111.234 -170.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -96.12 148.41 22.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.054 1.342 . . . . 0.0 112.787 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.14 167.35 30.08 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.036 1.734 . . . . 0.0 113.097 -173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.29 120.63 3.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.462 1.505 . . . . 0.0 109.421 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.13 39.66 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -160.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -90.92 -31.7 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.356 1.463 . . . . 0.0 114.293 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -94.96 -34.02 12.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.36 1.436 . . . . 0.0 112.113 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 109.21 -23.43 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 131.28 3.832 . . . . 0.0 111.192 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.72 -18.18 30.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.489 1.916 . . . . 0.0 113.048 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.71 165.41 25.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.658 1.583 . . . . 0.0 111.981 163.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -106.38 141.75 37.18 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 124.782 1.233 . . . . 0.0 111.244 -170.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -96.74 140.81 30.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.009 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -149.37 159.27 44.43 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 122.843 1.306 . . . . 0.0 113.44 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -126.48 152.98 45.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.996 1.318 . . . . 0.0 109.19 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -57.91 125.73 24.37 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.377 0.608 . . . . 0.0 111.343 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.3 -11.1 58.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.106 1.812 . . . . 0.0 114.88 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.9 134.92 50.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.393 2.097 . . . . 0.0 111.409 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.87 140.0 33.7 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.768 1.227 . . . . 0.0 112.248 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.93 152.57 48.41 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.927 2.091 . . . . 0.0 112.357 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -114.59 133.24 55.97 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.398 2.279 . . . . 0.0 108.605 164.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.4 mm -104.61 122.12 57.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.527 1.531 . . . . 0.0 110.051 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.88 -36.2 9.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.768 2.027 . . . . 0.0 112.836 -169.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -172.48 141.8 1.2 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.053 1.741 . . . . 0.0 113.432 170.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -83.8 50.81 1.89 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.294 1.837 . . . . 0.0 113.877 -177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -75.7 -29.83 59.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -150.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -107.64 5.33 26.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 111.638 173.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.08 -58.44 3.59 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.702 2.096 . . . . 0.0 113.187 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.03 -31.24 31.07 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.508 1.923 . . . . 0.0 112.532 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -117.89 132.76 56.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.992 1.317 . . . . 0.0 110.037 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.62 152.85 27.16 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.156 0.982 . . . . 0.0 111.859 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.84 131.09 35.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.7 1.2 . . . . 0.0 110.168 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.52 175.42 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.336 1.855 . . . . 0.0 112.205 -167.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -141.31 157.88 44.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.024 151.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -54.04 135.29 43.28 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 123.858 0.863 . . . . 0.0 111.193 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.07 -37.59 23.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.486 0.714 . . . . 0.0 111.515 165.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.0 m -63.49 -41.42 98.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.5 1.92 . . . . 0.0 114.007 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.8 p -110.86 -38.2 5.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.336 1.454 . . . . 0.0 112.127 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.97 -6.78 37.53 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.825 1.679 . . . . 0.0 114.635 -172.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.76 130.95 49.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.837 1.318 . . . . 0.0 111.524 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -112.9 141.83 46.27 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.345 1.858 . . . . 0.0 110.661 -165.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.58 -138.19 5.02 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.457 1.503 . . . . 0.0 113.956 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -119.58 170.2 9.39 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.508 1.523 . . . . 0.0 113.478 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 pp -150.61 157.27 36.4 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.164 1.786 . . . . 0.0 110.837 167.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.4 108.1 2.28 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.425 2.75 . . . . 0.0 109.572 164.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -49.68 -52.35 51.72 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.779 1.632 . . . . 0.0 114.971 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 CA--C 1.539 0.749 0 C-N-CA 122.0 1.8 . . . . 0.0 114.022 -174.319 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -169.4 163.18 10.53 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.341 1.456 . . . . 0.0 112.887 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -101.15 167.15 10.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.504 1.922 . . . . 0.0 111.973 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -166.68 149.56 6.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.198 1.799 . . . . 0.0 111.166 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -113.07 135.83 53.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.345 -0.847 . . . . 0.0 109.566 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.61 116.23 3.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.034 1.734 . . . . 0.0 110.305 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.04 -11.16 58.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.776 1.631 . . . . 0.0 112.675 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -157.94 169.93 23.46 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.868 1.267 . . . . 0.0 112.485 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.89 153.39 20.24 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.824 1.25 . . . . 0.0 112.806 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -158.76 167.41 29.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.051 1.74 . . . . 0.0 112.479 -173.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 118.12 5.08 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.508 1.123 . . . . 0.0 111.229 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 136.55 56.91 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.459 1.904 . . . . 0.0 115.245 -168.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -96.66 -39.29 9.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.912 1.685 . . . . 0.0 113.713 -166.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -98.08 -31.95 11.87 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.489 1.515 . . . . 0.0 111.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 95.1 -9.19 0.1 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.841 3.257 . . . . 0.0 111.851 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.1 -16.42 33.57 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.493 1.517 . . . . 0.0 112.121 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.07 166.8 17.39 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.742 2.017 . . . . 0.0 112.18 164.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.1 mt -115.79 151.87 34.38 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.822 1.649 . . . . 0.0 111.879 -169.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 151.53 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.611 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -159.67 165.7 32.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 122.751 1.262 . . . . 0.0 113.453 -166.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.87 149.91 46.68 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.786 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -54.07 113.21 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.022 0.529 . . . . 0.0 111.354 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.52 16.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.802 1.668 . . . . 0.0 115.219 -171.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.92 138.92 52.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.832 1.816 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.66 136.67 40.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.866 1.267 . . . . 0.0 112.041 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.31 150.51 45.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.198 2.199 . . . . 0.0 112.203 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -116.26 131.42 56.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.223 2.209 . . . . 0.0 107.454 168.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.49 109.1 26.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 125.435 1.494 . . . . 0.0 108.168 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.47 -37.38 25.45 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.343 1.457 . . . . 0.0 111.205 -171.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -169.04 144.35 3.24 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.939 1.696 . . . . 0.0 113.325 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -93.35 55.78 2.33 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.186 1.47 . . . . 0.0 112.889 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -77.73 -32.64 52.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -150.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -118.06 4.12 12.07 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.868 1.267 . . . . 0.0 111.205 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -56.2 2.6 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 127.39 2.424 . . . . 0.0 114.436 171.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -77.14 -33.23 56.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.999 2.12 . . . . 0.0 111.195 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -121.73 132.88 54.87 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.129 1.371 . . . . 0.0 111.206 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -111.47 152.55 27.31 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.902 1.281 . . . . 0.0 112.535 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.49 117.29 29.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.652 1.181 . . . . 0.0 109.024 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.5 172.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 125.364 1.465 . . . . 0.0 111.293 -162.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -145.52 153.96 41.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.748 162.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -53.68 126.32 21.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.12 156.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 tp -71.15 -38.83 72.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.461 0.704 . . . . 0.0 110.578 167.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 m -60.79 -43.51 98.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.449 2.3 . . . . 0.0 114.729 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.7 p -111.93 -36.07 5.51 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.917 1.287 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.27 -3.09 56.59 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.76 1.647 . . . . 0.0 113.899 -168.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.35 124.5 20.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.777 1.289 . . . . 0.0 110.157 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.3 m -112.93 146.87 38.22 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.311 1.844 . . . . 0.0 109.999 -166.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.98 -141.01 6.62 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.629 1.585 . . . . 0.0 113.661 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.35 164.97 14.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.121 1.368 . . . . 0.0 113.524 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.49 154.47 38.33 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.071 2.148 . . . . 0.0 108.6 166.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.13 124.07 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.386 2.057 . . . . 0.0 108.218 161.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.6 p -60.05 -36.57 39.57 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo . . . . . 0 C--N 1.359 1.126 0 CA-C-N 122.08 1.779 . . . . 0.0 114.001 -177.777 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 t -170.93 165.17 7.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.216 1.407 . . . . 0.0 113.502 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -96.08 154.33 17.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.644 2.778 . . . . 0.0 112.057 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -163.79 147.66 10.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.334 1.054 . . . . 0.0 112.162 -166.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -103.64 147.46 27.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.499 1.12 . . . . 0.0 110.31 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.64 110.27 9.9 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 109.788 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.18 5.93 44.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.599 1.56 . . . . 0.0 113.341 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -166.67 157.75 12.54 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.862 2.065 . . . . 0.0 110.282 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.21 150.07 24.64 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -153.52 163.87 39.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.517 1.127 . . . . 0.0 112.982 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.76 123.99 3.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.068 1.347 . . . . 0.0 109.958 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.19 13.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.903 2.081 . . . . 0.0 115.531 -165.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -83.42 -35.32 25.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 113.531 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -114.38 -166.01 1.06 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.221 1.809 . . . . 0.0 109.252 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -81.11 -8.94 59.87 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.198 2.199 . . . . 0.0 114.248 170.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.39 -30.74 9.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.22 1.408 . . . . 0.0 114.698 -167.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -88.03 156.76 19.14 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.371 1.468 . . . . 0.0 113.214 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -98.8 140.79 32.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.243 1.017 . . . . 0.0 112.967 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -90.03 153.87 20.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.74 0.816 . . . . 0.0 112.497 166.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -163.3 -162.63 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.276 1.431 . . . . 0.0 112.034 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -147.78 157.22 43.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.395 1.478 . . . . 0.0 109.936 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -61.77 118.07 6.68 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.727 -0.608 . . . . 0.0 110.095 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 -10.67 36.86 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.709 2.1 . . . . 0.0 114.286 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.45 151.39 46.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.73 1.765 . . . . 0.0 111.313 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -108.97 136.86 47.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.007 0.923 . . . . 0.0 111.502 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -134.59 147.08 50.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.848 1.659 . . . . 0.0 112.894 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.2 130.07 50.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.095 2.158 . . . . 0.0 108.081 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mm -97.59 112.07 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.188 1.395 . . . . 0.0 108.505 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -76.31 -48.86 18.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.203 1.401 . . . . 0.0 109.585 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -166.67 151.83 7.86 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.447 1.899 . . . . 0.0 112.479 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 m -97.59 45.93 1.03 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.071 2.148 . . . . 0.0 112.618 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -82.42 -24.86 34.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -137.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -107.76 8.44 28.85 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.491 1.516 . . . . 0.0 110.893 172.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.44 -68.81 2.07 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 127.244 2.354 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.11 -34.57 71.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.475 1.91 . . . . 0.0 111.427 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -113.4 145.22 41.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.107 1.763 . . . . 0.0 111.195 170.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -119.2 164.08 16.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.258 1.823 . . . . 0.0 112.202 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -102.34 120.38 40.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.196 1.798 . . . . 0.0 108.378 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.81 173.71 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.761 1.224 . . . . 0.0 112.042 -170.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -143.17 134.32 25.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 127.291 2.237 . . . . 0.0 109.776 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -79.61 141.43 36.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.137 0.97 . . . . 0.0 112.185 171.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -87.53 8.66 23.99 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.54 1.936 . . . . 0.0 113.721 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -78.2 -51.44 10.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.093 1.357 . . . . 0.0 110.317 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -121.14 -29.52 4.52 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.989 2.115 . . . . 0.0 113.812 -170.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.98 67.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.587 1.565 . . . . 0.0 113.937 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.55 137.22 58.19 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 111.026 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -124.42 147.47 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.726 2.01 . . . . 0.0 110.54 -164.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.63 -156.57 28.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.494 1.521 . . . . 0.0 113.373 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -100.62 150.75 22.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.91 0.884 . . . . 0.0 113.146 -175.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 pp -140.12 154.14 69.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 125.69 1.596 . . . . 0.0 110.454 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.46 121.37 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.67 2.247 . . . . 0.0 108.137 167.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 p -54.38 -40.13 80.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.328 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 C--N 1.359 1.097 0 CA-C-N 123.18 2.171 . . . . 0.0 113.449 -172.546 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -170.28 158.56 6.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.032 2.133 . . . . 0.0 110.448 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.21 174.58 8.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.104 1.362 . . . . 0.0 112.046 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -166.55 142.69 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.357 1.863 . . . . 0.0 111.175 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -117.59 130.5 56.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.325 1.05 . . . . 0.0 109.701 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 127.58 31.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.169 1.388 . . . . 0.0 110.761 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.93 -17.34 47.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -144.01 170.01 16.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.946 1.299 . . . . 0.0 112.784 -170.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -90.2 148.89 22.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.015 0.926 . . . . 0.0 111.651 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.35 165.68 35.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.844 1.658 . . . . 0.0 113.032 -166.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.69 121.87 7.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.975 1.31 . . . . 0.0 110.498 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 139.94 50.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.889 1.675 . . . . 0.0 114.379 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -97.08 -31.06 12.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.68 1.592 . . . . 0.0 113.859 -167.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -113.78 -146.71 0.41 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.907 2.083 . . . . 0.0 109.53 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -110.88 -1.49 16.46 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.632 1.973 . . . . 0.0 112.138 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -126.64 -19.68 4.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.696 1.598 . . . . 0.0 114.511 -169.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -84.78 169.66 13.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.572 0.749 . . . . 0.0 111.957 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 148.11 50.04 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.476 1.11 . . . . 0.0 111.501 -162.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -100.15 150.04 22.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.852 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -152.54 167.3 29.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 123.166 1.46 . . . . 0.0 112.594 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.35 160.63 26.34 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.219 1.408 . . . . 0.0 107.328 166.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -50.95 130.27 25.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.749 0.82 . . . . 0.0 111.162 171.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.4 78.4 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.556 1.551 . . . . 0.0 114.776 -174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.33 143.59 55.12 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.916 1.858 . . . . 0.0 110.947 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -118.99 126.29 51.38 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.953 0.882 . . . . 0.0 112.623 -160.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.84 170.31 11.18 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.352 1.861 . . . . 0.0 110.811 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -126.17 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.601 1.96 . . . . 0.0 108.726 166.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 mm -97.88 112.47 30.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 124.523 1.129 . . . . 0.0 108.553 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.0 -43.18 35.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.042 1.337 . . . . 0.0 110.205 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -166.58 149.55 6.87 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.118 1.767 . . . . 0.0 112.651 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -93.86 48.2 1.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.385 2.274 . . . . 0.0 112.884 -172.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -76.38 -50.44 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -138.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -90.32 -2.93 58.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.125 0.97 . . . . 0.0 110.877 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.7 -49.05 1.65 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.533 2.492 . . . . 0.0 113.095 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.99 -26.02 27.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.998 2.519 . . . . 0.0 112.502 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -132.76 118.2 18.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.244 1.418 . . . . 0.0 110.128 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -98.35 148.65 23.45 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.126 0.97 . . . . 0.0 112.759 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.15 114.85 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 166.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 m -125.87 172.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 125.938 1.695 . . . . 0.0 111.126 -176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -144.9 136.1 25.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.553 1.941 . . . . 0.0 107.417 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -67.51 143.51 56.14 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.407 -1.433 . . . . 0.0 111.019 173.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 tp -78.44 -41.07 33.87 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.366 -0.834 . . . . 0.0 111.186 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -53.81 -45.71 70.87 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.461 2.305 . . . . 0.0 113.513 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -121.29 -39.09 2.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.211 1.404 . . . . 0.0 114.315 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.2 23.77 23.83 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.672 1.13 . . . . 0.0 114.185 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.1 134.98 42.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.704 1.201 . . . . 0.0 109.501 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.1 m -106.97 149.69 27.26 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.258 1.423 . . . . 0.0 110.212 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.02 -151.45 19.9 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 124.808 1.194 . . . . 0.0 113.72 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.38 169.83 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.043 1.737 . . . . 0.0 113.075 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -156.5 156.74 30.47 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 127.035 2.134 . . . . 0.0 109.545 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.44 101.85 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.246 2.631 . . . . 0.0 109.965 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 m -58.66 -42.77 96.13 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.379 1.872 . . . . 0.0 114.467 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo . . . . . 0 C--N 1.356 0.964 0 C-N-CA 123.163 2.575 . . . . 0.0 115.192 175.509 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.8 p -64.83 141.04 58.91 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 127.42 2.288 . . . . 0.0 111.459 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.19 169.37 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.935 0.894 . . . . 0.0 112.565 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -165.96 156.47 12.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.665 2.386 . . . . 0.0 110.467 171.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -106.53 147.56 29.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.69 0.796 . . . . 0.0 110.533 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.27 7.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.249 1.419 . . . . 0.0 111.263 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.83 -26.58 54.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.487 1.515 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -161.03 155.4 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.38 1.872 . . . . 0.0 111.644 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.04 152.27 43.71 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.689 1.195 . . . . 0.0 112.435 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -156.48 159.58 38.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.493 1.517 . . . . 0.0 111.473 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -155.29 121.11 5.08 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.679 1.192 . . . . 0.0 109.168 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.89 121.54 10.78 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.732 1.613 . . . . 0.0 114.618 -159.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -77.02 -23.82 52.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.001 1.72 . . . . 0.0 113.525 -170.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -110.89 -33.35 6.54 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.6 1.56 . . . . 0.0 112.431 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 96.34 -7.78 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 130.679 3.592 . . . . 0.0 112.588 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -81.56 -22.92 37.5 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.911 1.285 . . . . 0.0 112.101 164.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.3 167.4 20.97 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.033 2.133 . . . . 0.0 112.511 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 tp -111.61 127.46 55.75 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 125.457 1.503 . . . . 0.0 111.085 -170.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -82.91 150.69 26.33 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.284 1.834 . . . . 0.0 112.563 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.52 160.84 39.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.409 1.1 . . . . 0.0 112.693 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -122.79 145.93 47.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.268 1.827 . . . . 0.0 108.011 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -50.28 133.95 23.41 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.899 0.856 . . . . 0.0 112.313 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.4 -3.31 54.41 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.165 -1.353 . . . . 0.0 115.7 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.14 143.78 57.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.931 1.866 . . . . 0.0 110.536 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.72 140.23 39.09 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.519 0.728 . . . . 0.0 111.407 -174.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -141.43 165.33 27.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.952 1.301 . . . . 0.0 112.269 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -125.61 137.9 53.91 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.587 2.355 . . . . 0.0 108.538 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.81 125.91 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.481 0.713 . . . . 0.0 109.118 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -93.76 -35.47 12.76 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.088 2.155 . . . . 0.0 111.971 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -157.84 129.76 6.97 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.965 1.306 . . . . 0.0 112.733 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.422 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 13.1 p -115.04 -3.91 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.911 2.485 . . . . 0.0 113.87 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 m -69.07 -14.87 63.27 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.308 -1.495 . . . . 0.0 114.259 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.9 -14.61 61.51 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.704 0.802 . . . . 0.0 112.85 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.97 -51.58 3.52 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 127.379 2.419 . . . . 0.0 115.33 165.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.93 -42.23 10.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.166 1.786 . . . . 0.0 111.662 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -119.23 131.82 55.85 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.781 1.632 . . . . 0.0 110.603 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 49.8 m0 -115.8 144.89 43.36 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.172 1.389 . . . . 0.0 111.881 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.48 126.27 32.6 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.608 1.563 . . . . 0.0 110.06 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.85 156.45 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 126.323 1.849 . . . . 0.0 110.561 -170.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -133.83 137.23 44.93 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.552 1.141 . . . . 0.0 110.303 157.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -72.01 145.52 48.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.937 0.875 . . . . 0.0 110.594 163.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.61 -29.85 11.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.752 2.021 . . . . 0.0 112.224 -171.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 p -62.7 -45.94 90.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.98 2.512 . . . . 0.0 111.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -122.23 -4.11 8.95 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.929 2.492 . . . . 0.0 114.013 -172.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.92 1.28 58.86 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.479 1.352 . . . . 0.0 116.479 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.71 135.38 48.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.526 1.663 . . . . 0.0 112.307 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 m -117.18 150.37 38.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.877 1.671 . . . . 0.0 110.667 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.19 -148.69 9.7 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.789 1.185 . . . . 0.0 113.659 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -118.98 149.53 41.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.26 1.424 . . . . 0.0 112.49 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.47 146.85 61.0 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.652 1.181 . . . . 0.0 111.781 169.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.64 131.8 27.06 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.763 2.309 . . . . 0.0 108.635 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.5 p -58.74 -36.42 43.03 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo . . . . . 0 C--N 1.359 1.122 0 CA-C-N 122.686 1.995 . . . . 0.0 112.746 -172.668 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 p -77.95 155.43 30.84 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.913 1.685 . . . . 0.0 112.208 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.32 167.89 10.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 113.277 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -163.38 156.38 18.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.213 1.805 . . . . 0.0 112.607 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -104.76 140.73 37.66 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.448 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.51 117.7 6.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.189 1.796 . . . . 0.0 111.601 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.72 -27.44 64.97 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.877 0.871 . . . . 0.0 112.293 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -164.14 158.16 18.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.506 1.922 . . . . 0.0 111.089 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.95 151.47 46.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.378 . . . . 0.0 112.751 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -155.01 156.21 35.55 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.108 1.763 . . . . 0.0 111.143 -169.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.39 122.37 5.94 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.701 -1.249 . . . . 0.0 109.531 -170.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 127.27 31.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -159.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -81.04 -36.19 30.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.91 2.484 . . . . 0.0 113.672 -171.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -109.61 -31.79 7.35 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.722 1.609 . . . . 0.0 113.172 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 95.1 -3.75 0.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 130.259 3.424 . . . . 0.0 113.06 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.12 -15.5 31.49 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.228 1.011 . . . . 0.0 112.422 162.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -82.33 168.65 17.34 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.819 2.047 . . . . 0.0 112.492 166.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -113.99 135.1 54.37 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.886 1.674 . . . . 0.0 110.426 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 150.94 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.777 0.831 . . . . 0.0 112.318 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -142.32 171.94 13.37 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 122.88 1.324 . . . . 0.0 113.152 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -149.55 146.29 27.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.054 1.742 . . . . 0.0 108.455 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -48.9 119.51 3.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.199 0.999 . . . . 0.0 113.0 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.55 4.17 90.23 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.625 1.583 . . . . 0.0 115.784 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.5 136.06 55.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.282 2.041 . . . . 0.0 111.537 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -87.55 135.11 33.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.164 0.986 . . . . 0.0 112.433 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -141.17 170.4 15.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.65 1.58 . . . . 0.0 112.486 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -140.02 145.44 37.77 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.41 2.284 . . . . 0.0 108.637 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.06 124.95 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.638 1.175 . . . . 0.0 109.356 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 -36.57 12.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.906 1.682 . . . . 0.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -156.14 136.6 13.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 113.146 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -117.22 -3.39 11.49 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.607 2.763 . . . . 0.0 113.965 -174.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -65.41 -19.6 66.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -164.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.58 -6.72 54.69 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.013 0.824 . . . . 0.0 112.745 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.56 4.35 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.895 2.188 . . . . 0.0 113.994 170.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -89.34 -37.39 14.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.215 1.806 . . . . 0.0 112.671 -171.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -130.54 134.95 47.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.293 1.437 . . . . 0.0 111.173 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -116.73 141.59 48.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.964 1.706 . . . . 0.0 112.121 -171.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -75.83 111.48 11.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.275 1.83 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.64 153.46 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 127.575 2.35 . . . . 0.0 110.273 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -133.01 136.7 46.17 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 125.475 1.51 . . . . 0.0 109.864 161.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -71.8 142.68 49.66 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 123.403 0.681 . . . . 0.0 111.102 167.141 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -94.93 -30.89 13.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.38 1.472 . . . . 0.0 112.433 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 p -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.825 1.65 . . . . 0.0 111.471 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -110.33 -43.16 3.96 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.676 1.99 . . . . 0.0 113.525 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.98 3.05 39.4 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.249 1.404 . . . . 0.0 115.112 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.12 137.73 56.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.009 1.404 . . . . 0.0 110.916 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.0 m -122.79 147.65 46.28 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.086 1.754 . . . . 0.0 109.262 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.16 -151.12 11.7 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.471 1.51 . . . . 0.0 113.675 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -113.67 153.4 28.98 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 pt -136.48 153.3 76.05 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 126.642 1.977 . . . . 0.0 110.705 163.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -61.17 135.13 56.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.233 1.955 . . . . 0.0 109.262 163.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -61.65 -35.75 25.14 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.96 -8.1 22.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 CA-C-N 122.614 1.969 . . . . 0.0 113.442 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -50.55 -36.67 35.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.572 1.149 . . . . 0.0 112.759 170.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.409 ' H ' HD21 ' A' ' 55' ' ' LEU . 2.4 pt? -120.3 -30.18 4.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.375 1.47 . . . . 0.0 113.64 174.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.874 1.269 . . . . 0.0 114.097 -172.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -175.01 160.93 2.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.466 1.907 . . . . 0.0 110.874 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.81 176.58 6.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.293 1.037 . . . . 0.0 112.968 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -162.84 157.82 21.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.661 2.784 . . . . 0.0 109.945 170.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -117.15 134.01 55.3 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.697 0.799 . . . . 0.0 108.96 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.26 118.11 7.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.43 1.492 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.6 mt -85.04 -4.09 59.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.069 1.348 . . . . 0.0 112.551 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -161.03 173.16 15.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.43 1.492 . . . . 0.0 112.005 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.62 154.14 17.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.891 1.676 . . . . 0.0 112.595 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -159.45 166.03 31.85 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.671 1.588 . . . . 0.0 112.884 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -155.67 120.17 4.66 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.642 1.577 . . . . 0.0 109.635 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 133.61 50.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -94.77 -36.74 11.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.168 1.787 . . . . 0.0 114.574 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -94.04 -37.17 11.77 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.014 1.279 . . . . 0.0 111.508 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 105.21 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 131.239 3.816 . . . . 0.0 111.72 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -88.32 -17.47 30.56 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.058 1.743 . . . . 0.0 112.502 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -80.29 162.79 24.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.434 1.893 . . . . 0.0 112.381 166.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.4 mt -106.63 154.3 21.12 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 125.497 1.519 . . . . 0.0 111.237 -176.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -105.81 149.22 26.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.806 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.0 160.96 40.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 122.633 1.206 . . . . 0.0 113.337 -168.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -123.24 148.47 45.83 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 113.822 -1.536 . . . . 0.0 109.075 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -56.04 123.81 15.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.251 0.548 . . . . 0.0 111.333 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.06 -13.09 45.07 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 117.54 -1.7 . . . . 0.0 115.0 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.8 135.09 56.35 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.359 2.08 . . . . 0.0 110.475 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.19 126.03 40.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.458 1.103 . . . . 0.0 110.52 177.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -112.26 145.84 39.25 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.037 1.735 . . . . 0.0 111.432 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -100.79 131.08 46.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.118 1.767 . . . . 0.0 107.412 161.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.0 117.38 42.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 109.162 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -86.07 -41.42 14.8 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.148 1.779 . . . . 0.0 111.448 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -168.49 143.71 3.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 126.304 1.842 . . . . 0.0 111.75 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 m -95.01 56.31 1.93 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.613 1.673 . . . . 0.0 112.735 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -79.18 -36.37 40.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -139.525 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -107.41 19.27 20.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.653 1.181 . . . . 0.0 111.311 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.41 -34.53 1.34 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.882 2.182 . . . . 0.0 114.427 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.36 -20.98 3.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 112.744 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -120.67 121.46 38.34 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.117 0.967 . . . . 0.0 109.315 167.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -111.85 155.74 23.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.099 0.96 . . . . 0.0 112.362 -171.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.57 123.73 33.91 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 109.598 171.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.85 172.46 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 125.642 1.577 . . . . 0.0 111.684 -170.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -144.26 153.59 42.2 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.349 159.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 t -52.15 123.31 10.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.505 155.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.26 -42.67 83.49 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.196 164.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.9 m -63.73 -38.39 90.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.74 2.016 . . . . 0.0 113.88 -171.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -115.35 -40.08 3.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 112.096 -176.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.29 -1.62 46.85 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.117 1.817 . . . . 0.0 114.516 -171.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.48 134.16 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.107 1.454 . . . . 0.0 110.614 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.2 m -122.98 147.58 46.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.76 2.024 . . . . 0.0 110.006 -165.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.5 -152.5 20.54 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.951 1.263 . . . . 0.0 114.572 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -103.13 169.95 8.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 112.926 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 pp -156.4 156.55 30.28 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 126.232 1.813 . . . . 0.0 110.376 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 112.72 3.6 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.938 2.425 . . . . 0.0 109.339 158.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -47.37 -55.59 15.69 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.424 1.49 . . . . 0.0 113.758 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.96 -19.17 30.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.622 2.214 . . . . 0.0 113.885 -171.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.97 -32.01 11.88 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.587 0.63 . . . . 0.0 112.341 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.68 -43.27 84.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.744 -0.597 . . . . 0.0 111.248 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.091 0 C-N-CA 126.031 1.732 . . . . 0.0 113.483 168.245 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -174.41 165.4 3.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.644 2.378 . . . . 0.0 110.779 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.1 176.88 5.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 112.219 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -164.84 157.37 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 111.608 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -122.74 133.22 54.48 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.537 1.135 . . . . 0.0 109.683 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 118.89 7.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.086 1.754 . . . . 0.0 110.75 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.64 -1.62 58.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.02 1.328 . . . . 0.0 112.999 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -157.74 170.05 23.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.355 1.462 . . . . 0.0 112.373 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.02 150.76 20.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.724 1.609 . . . . 0.0 112.663 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -160.08 166.52 29.71 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.069 1.748 . . . . 0.0 112.523 -173.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -151.41 121.53 7.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 109.765 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.05 133.46 56.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.37 1.468 . . . . 0.0 114.587 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -102.65 -38.22 7.59 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.484 1.514 . . . . 0.0 114.245 -162.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.4 -27.14 19.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.402 1.481 . . . . 0.0 111.594 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 100.68 -20.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 130.844 3.658 . . . . 0.0 111.168 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -92.75 -10.81 35.68 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.648 1.979 . . . . 0.0 112.82 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.16 179.42 7.49 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.905 2.082 . . . . 0.0 112.181 163.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -125.7 147.16 49.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.683 1.193 . . . . 0.0 112.1 -162.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 m -108.48 147.39 31.75 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.786 0.834 . . . . 0.0 112.165 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -155.84 157.8 37.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 122.72 1.248 . . . . 0.0 113.716 -170.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -121.61 152.2 39.55 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.735 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -59.44 123.64 17.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.323 0.582 . . . . 0.0 111.628 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.64 -11.46 42.33 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.736 2.112 . . . . 0.0 115.2 -170.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.82 138.16 50.1 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 120.099 1.95 . . . . 0.0 111.026 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.87 134.99 41.96 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.407 1.083 . . . . 0.0 112.47 -174.581 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.89 150.4 41.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.253 1.821 . . . . 0.0 112.13 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.66 135.5 48.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.344 2.258 . . . . 0.0 108.075 169.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.35 117.88 43.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 124.895 1.278 . . . . 0.0 109.905 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.4 mt -88.39 -32.46 18.34 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.118 1.767 . . . . 0.0 111.174 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -168.65 149.9 4.76 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.709 2.004 . . . . 0.0 113.125 170.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 m -99.18 54.04 0.97 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.453 2.301 . . . . 0.0 112.833 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -81.1 -46.26 15.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -136.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -111.26 6.03 20.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.673 1.589 . . . . 0.0 110.907 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.55 -56.5 3.77 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 126.831 2.158 . . . . 0.0 113.369 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -81.35 -23.38 37.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.717 2.007 . . . . 0.0 111.998 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -134.33 140.17 46.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.745 1.618 . . . . 0.0 111.539 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -124.92 163.08 23.04 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.57 1.148 . . . . 0.0 113.51 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.18 119.71 35.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.714 1.606 . . . . 0.0 109.592 170.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 m -145.95 174.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.13 -1.396 . . . . 0.0 111.847 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -145.3 156.4 43.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.39 159.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -54.6 125.36 19.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.708 0.766 . . . . 0.0 110.273 155.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.58 -38.42 67.88 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.949 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -63.55 -42.79 98.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.079 2.152 . . . . 0.0 113.832 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -110.42 -37.75 5.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.19 -7.7 40.89 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.546 2.022 . . . . 0.0 113.972 -172.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.68 133.0 48.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.794 1.297 . . . . 0.0 111.672 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -121.02 149.58 42.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.766 2.026 . . . . 0.0 110.985 -158.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.98 -137.22 5.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.68 1.61 . . . . 0.0 113.353 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -117.9 162.49 18.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 112.859 -173.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 pp -148.72 154.5 40.68 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.46 1.904 . . . . 0.0 109.741 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -76.35 122.35 6.52 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 122.542 2.161 . . . . 0.0 108.704 159.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -52.26 -57.45 15.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.471 1.908 . . . . 0.0 113.655 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.82 -12.41 28.62 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.222 1.948 . . . . 0.0 113.192 -172.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -48.21 6.99 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.128 0.971 . . . . 0.0 110.511 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.83 -45.09 59.42 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.053 0.941 . . . . 0.0 111.875 163.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.937 0 C-N-CA 126.356 1.862 . . . . 0.0 113.857 172.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -164.31 160.96 21.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.598 1.559 . . . . 0.0 111.954 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.28 167.91 9.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.125 1.77 . . . . 0.0 113.088 -171.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -164.15 154.19 14.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.52 1.928 . . . . 0.0 112.08 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -126.2 133.18 51.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.156 1.382 . . . . 0.0 110.029 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 125.57 27.13 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.76 2.024 . . . . 0.0 112.046 -175.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -86.9 -18.24 31.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -145.43 172.66 12.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.983 1.313 . . . . 0.0 112.866 -170.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.61 149.78 23.39 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.231 1.413 . . . . 0.0 112.748 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -158.09 167.15 30.67 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.914 1.685 . . . . 0.0 113.002 -166.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -151.87 125.61 9.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.759 1.624 . . . . 0.0 108.988 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 127.38 31.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.826 1.65 . . . . 0.0 114.723 -167.39 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -87.25 -36.37 17.98 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.628 1.571 . . . . 0.0 114.434 -166.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -133.08 -10.66 2.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.131 1.372 . . . . 0.0 113.596 -167.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 98.21 -8.96 0.06 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 129.758 3.223 . . . . 0.0 113.374 154.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -79.0 -26.08 43.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.582 2.353 . . . . 0.0 112.379 157.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -82.4 165.52 20.2 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.249 1.82 . . . . 0.0 112.828 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 mt -118.75 147.98 43.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.685 1.594 . . . . 0.0 110.485 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -91.15 142.61 27.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.79 -0.569 . . . . 0.0 111.701 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -140.89 157.85 44.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 122.543 1.163 . . . . 0.0 112.321 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -119.84 159.39 24.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.087 168.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -51.41 122.03 7.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.663 0.785 . . . . 0.0 110.079 171.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.01 -11.14 58.78 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.918 1.723 . . . . 0.0 115.867 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.94 143.24 56.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.842 1.821 . . . . 0.0 110.959 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -112.86 134.84 54.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.61 1.964 . . . . 0.0 111.973 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -130.17 153.75 48.22 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.984 2.113 . . . . 0.0 111.258 -169.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.96 143.71 51.21 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.743 1.217 . . . . 0.0 109.493 160.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.6 mm -101.32 121.74 52.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 125.541 1.536 . . . . 0.0 109.106 -171.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.56 -41.19 14.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.273 1.829 . . . . 0.0 111.581 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -175.93 130.21 0.24 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.639 1.576 . . . . 0.0 111.665 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -121.29 17.1 11.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.628 1.171 . . . . 0.0 113.11 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -60.41 -26.64 66.84 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.14 0.85 57.47 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.758 1.223 . . . . 0.0 113.571 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.32 -49.51 3.82 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 126.843 2.163 . . . . 0.0 116.226 157.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.49 -29.79 12.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.461 1.905 . . . . 0.0 112.857 -172.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.97 127.54 46.1 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.523 1.529 . . . . 0.0 109.093 165.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -107.62 155.18 20.42 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.828 0.851 . . . . 0.0 112.272 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.06 128.22 33.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.353 1.061 . . . . 0.0 109.458 166.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.19 171.93 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 126.397 1.879 . . . . 0.0 112.6 -173.433 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -141.8 140.4 33.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 127.55 2.34 . . . . 0.0 108.501 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -66.85 129.08 38.7 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 123.841 0.856 . . . . 0.0 110.826 165.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.79 -37.68 76.42 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.155 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -67.4 -43.03 82.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.678 1.991 . . . . 0.0 113.754 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -108.44 -40.99 4.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.654 1.181 . . . . 0.0 112.479 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.23 4.26 53.63 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.9 1.714 . . . . 0.0 114.362 -168.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.37 140.74 57.22 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.948 1.374 . . . . 0.0 111.736 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 p -118.45 142.68 47.33 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.844 2.458 . . . . 0.0 111.921 -170.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.36 -151.85 19.19 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.178 1.371 . . . . 0.0 114.659 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -110.81 171.62 7.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.491 1.916 . . . . 0.0 113.55 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -155.07 154.42 28.77 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 127.105 2.162 . . . . 0.0 110.837 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.47 96.41 0.94 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.474 2.783 . . . . 0.0 109.062 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -53.68 -47.24 97.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 127.303 2.241 . . . . 0.0 115.71 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.52 -10.78 27.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.232 1.955 . . . . 0.0 113.091 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -96.83 -46.38 6.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.168 0.987 . . . . 0.0 112.268 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.22 -44.81 71.99 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.159 1.384 . . . . 0.0 111.768 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.847 0 C-N-CA 126.243 1.817 . . . . 0.0 114.124 173.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -70.23 152.96 43.64 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.563 2.345 . . . . 0.0 112.072 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.55 168.03 9.53 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.407 1.083 . . . . 0.0 112.891 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.57 160.15 31.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.759 1.623 . . . . 0.0 112.359 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -110.54 143.45 40.89 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.87 0.868 . . . . 0.0 109.491 168.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.16 115.99 4.22 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.312 1.845 . . . . 0.0 112.089 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.65 -36.13 80.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.41 0.684 . . . . 0.0 111.866 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -158.24 158.19 34.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.634 1.574 . . . . 0.0 111.547 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.71 149.02 49.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.64 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -156.15 155.64 32.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.291 1.436 . . . . 0.0 111.934 -169.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -159.18 127.51 5.12 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.119 -0.988 . . . . 0.0 110.948 -171.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.83 121.32 11.43 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -156.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -83.04 -41.91 18.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.064 1.745 . . . . 0.0 113.563 -172.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -96.61 -32.64 12.13 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.488 1.515 . . . . 0.0 111.862 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 98.43 -9.33 0.05 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 131.377 3.871 . . . . 0.0 112.334 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.86 -17.02 42.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.395 1.478 . . . . 0.0 112.531 167.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.92 167.97 12.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.932 2.493 . . . . 0.0 113.821 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -114.93 148.33 38.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.959 2.103 . . . . 0.0 111.191 -167.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -117.28 151.67 36.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -147.64 167.74 23.82 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.996 1.379 . . . . 0.0 113.866 -166.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -132.54 144.49 50.45 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.434 2.294 . . . . 0.0 107.522 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -52.26 129.37 27.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.158 0.98 . . . . 0.0 112.276 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.52 83.64 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.118 1.818 . . . . 0.0 115.85 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.66 144.09 56.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.686 2.243 . . . . 0.0 111.767 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.01 130.14 50.0 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 112.148 -169.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.64 165.59 27.06 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.61 1.564 . . . . 0.0 112.347 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -133.51 139.49 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.802 2.041 . . . . 0.0 108.655 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.9 mm -85.86 131.04 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.29 -30.51 11.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.086 1.754 . . . . 0.0 111.979 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -152.67 130.02 11.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.35 1.46 . . . . 0.0 111.842 174.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.425 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.9 p -114.27 -6.02 12.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.945 2.098 . . . . 0.0 113.512 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.9 m -88.32 -3.42 58.85 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.135 -1.603 . . . . 0.0 114.477 -161.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.99 -14.62 62.79 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 121.727 -0.608 . . . . 0.0 111.971 157.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.79 -51.56 4.31 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 127.405 2.431 . . . . 0.0 114.727 166.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.9 -43.87 14.84 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 111.945 -175.373 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -127.7 140.31 52.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.133 1.373 . . . . 0.0 111.099 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.425 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 47.6 m0 -114.81 140.21 49.11 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.958 1.703 . . . . 0.0 111.458 -173.265 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.54 123.76 26.04 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.978 1.311 . . . . 0.0 109.367 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.38 155.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 126.442 1.897 . . . . 0.0 110.168 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -129.52 137.58 50.87 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 124.721 1.208 . . . . 0.0 109.779 158.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -71.35 146.89 48.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 159.647 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -97.75 -28.46 13.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.119 1.367 . . . . 0.0 112.154 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.7 p -67.3 -44.48 79.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.528 1.931 . . . . 0.0 111.59 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -117.74 -6.77 11.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.217 2.607 . . . . 0.0 113.807 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.76 -0.77 56.05 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.912 1.244 . . . . 0.0 115.971 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.27 128.85 37.53 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.005 1.403 . . . . 0.0 111.734 -172.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -113.92 146.51 39.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.845 1.658 . . . . 0.0 109.649 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.31 -142.35 7.13 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 125.698 1.618 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -124.22 150.27 45.45 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.5 pt -131.45 149.9 74.87 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.634 1.574 . . . . 0.0 111.487 165.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 135.34 37.27 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.503 2.135 . . . . 0.0 108.32 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 p -60.08 -37.46 48.76 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.81 -11.59 32.27 Favored 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 122.77 2.025 . . . . 0.0 113.042 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -48.95 -38.02 21.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.658 1.183 . . . . 0.0 112.647 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -121.82 -25.1 5.09 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.112 1.365 . . . . 0.0 114.161 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -174.73 171.95 3.1 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.845 2.458 . . . . 0.0 110.731 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -107.69 173.75 6.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.662 1.985 . . . . 0.0 112.2 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -158.23 157.93 33.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.445 1.898 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -125.74 130.59 51.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.248 1.019 . . . . 0.0 109.985 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.67 122.29 16.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.276 1.83 . . . . 0.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 mt -94.33 6.09 49.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.787 1.635 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.22 166.62 27.48 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.943 1.697 . . . . 0.0 111.234 -170.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -96.12 148.41 22.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.054 1.342 . . . . 0.0 112.787 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.14 167.35 30.08 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.036 1.734 . . . . 0.0 113.097 -173.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.29 120.63 3.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.462 1.505 . . . . 0.0 109.421 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.13 39.66 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -160.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -90.92 -31.7 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.356 1.463 . . . . 0.0 114.293 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -94.96 -34.02 12.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.36 1.436 . . . . 0.0 112.113 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 109.21 -23.43 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 131.28 3.832 . . . . 0.0 111.192 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.72 -18.18 30.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.489 1.916 . . . . 0.0 113.048 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.71 165.41 25.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.658 1.583 . . . . 0.0 111.981 163.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -106.38 141.75 37.18 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 124.782 1.233 . . . . 0.0 111.244 -170.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -96.74 140.81 30.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.009 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -149.37 159.27 44.43 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 122.843 1.306 . . . . 0.0 113.44 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -126.48 152.98 45.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.996 1.318 . . . . 0.0 109.19 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -57.91 125.73 24.37 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.377 0.608 . . . . 0.0 111.343 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.3 -11.1 58.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.106 1.812 . . . . 0.0 114.88 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.9 134.92 50.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.393 2.097 . . . . 0.0 111.409 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.87 140.0 33.7 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.768 1.227 . . . . 0.0 112.248 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.93 152.57 48.41 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.927 2.091 . . . . 0.0 112.357 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -114.59 133.24 55.97 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.398 2.279 . . . . 0.0 108.605 164.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.4 mm -104.61 122.12 57.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.527 1.531 . . . . 0.0 110.051 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.88 -36.2 9.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.768 2.027 . . . . 0.0 112.836 -169.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -172.48 141.8 1.2 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.053 1.741 . . . . 0.0 113.432 170.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -83.8 50.81 1.89 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.294 1.837 . . . . 0.0 113.877 -177.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -75.7 -29.83 59.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -150.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -107.64 5.33 26.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 111.638 173.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.08 -58.44 3.59 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.702 2.096 . . . . 0.0 113.187 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.03 -31.24 31.07 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.508 1.923 . . . . 0.0 112.532 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -117.89 132.76 56.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.992 1.317 . . . . 0.0 110.037 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.62 152.85 27.16 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.156 0.982 . . . . 0.0 111.859 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.84 131.09 35.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.7 1.2 . . . . 0.0 110.168 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.52 175.42 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.336 1.855 . . . . 0.0 112.205 -167.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -141.31 157.88 44.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.024 151.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -54.04 135.29 43.28 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 123.858 0.863 . . . . 0.0 111.193 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.07 -37.59 23.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.486 0.714 . . . . 0.0 111.515 165.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.0 m -63.49 -41.42 98.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.5 1.92 . . . . 0.0 114.007 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.8 p -110.86 -38.2 5.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.336 1.454 . . . . 0.0 112.127 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.97 -6.78 37.53 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.825 1.679 . . . . 0.0 114.635 -172.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.76 130.95 49.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.837 1.318 . . . . 0.0 111.524 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -112.9 141.83 46.27 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.345 1.858 . . . . 0.0 110.661 -165.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.58 -138.19 5.02 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.457 1.503 . . . . 0.0 113.956 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -119.58 170.2 9.39 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.508 1.523 . . . . 0.0 113.478 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 pp -150.61 157.27 36.4 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.164 1.786 . . . . 0.0 110.837 167.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.4 108.1 2.28 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.425 2.75 . . . . 0.0 109.572 164.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -49.68 -52.35 51.72 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.779 1.632 . . . . 0.0 114.971 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -72.66 -13.4 27.16 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 122.0 1.8 . . . . 0.0 114.022 -174.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -100.85 -36.21 9.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.848 0.859 . . . . 0.0 111.666 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.1 tp -47.25 -43.45 21.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.0 1.32 . . . . 0.0 111.614 159.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 126.443 1.897 . . . . 0.0 114.223 175.329 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -169.4 163.18 10.53 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.341 1.456 . . . . 0.0 112.887 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -101.15 167.15 10.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.504 1.922 . . . . 0.0 111.973 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -166.68 149.56 6.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.198 1.799 . . . . 0.0 111.166 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -113.07 135.83 53.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.345 -0.847 . . . . 0.0 109.566 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.61 116.23 3.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.034 1.734 . . . . 0.0 110.305 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.04 -11.16 58.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.776 1.631 . . . . 0.0 112.675 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -157.94 169.93 23.46 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.868 1.267 . . . . 0.0 112.485 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.89 153.39 20.24 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.824 1.25 . . . . 0.0 112.806 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -158.76 167.41 29.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.051 1.74 . . . . 0.0 112.479 -173.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 118.12 5.08 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.508 1.123 . . . . 0.0 111.229 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 136.55 56.91 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.459 1.904 . . . . 0.0 115.245 -168.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -96.66 -39.29 9.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.912 1.685 . . . . 0.0 113.713 -166.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -98.08 -31.95 11.87 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.489 1.515 . . . . 0.0 111.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 95.1 -9.19 0.1 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.841 3.257 . . . . 0.0 111.851 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.1 -16.42 33.57 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.493 1.517 . . . . 0.0 112.121 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.07 166.8 17.39 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.742 2.017 . . . . 0.0 112.18 164.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.1 mt -115.79 151.87 34.38 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.822 1.649 . . . . 0.0 111.879 -169.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 151.53 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.611 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -159.67 165.7 32.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 122.751 1.262 . . . . 0.0 113.453 -166.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.87 149.91 46.68 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.786 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -54.07 113.21 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.022 0.529 . . . . 0.0 111.354 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.52 16.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.802 1.668 . . . . 0.0 115.219 -171.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.92 138.92 52.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.832 1.816 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.66 136.67 40.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.866 1.267 . . . . 0.0 112.041 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.31 150.51 45.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.198 2.199 . . . . 0.0 112.203 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -116.26 131.42 56.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.223 2.209 . . . . 0.0 107.454 168.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.49 109.1 26.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 125.435 1.494 . . . . 0.0 108.168 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.47 -37.38 25.45 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.343 1.457 . . . . 0.0 111.205 -171.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -169.04 144.35 3.24 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.939 1.696 . . . . 0.0 113.325 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -93.35 55.78 2.33 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.186 1.47 . . . . 0.0 112.889 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -77.73 -32.64 52.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -150.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -118.06 4.12 12.07 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.868 1.267 . . . . 0.0 111.205 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -56.2 2.6 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 127.39 2.424 . . . . 0.0 114.436 171.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -77.14 -33.23 56.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.999 2.12 . . . . 0.0 111.195 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -121.73 132.88 54.87 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.129 1.371 . . . . 0.0 111.206 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -111.47 152.55 27.31 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.902 1.281 . . . . 0.0 112.535 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.49 117.29 29.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.652 1.181 . . . . 0.0 109.024 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.5 172.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 125.364 1.465 . . . . 0.0 111.293 -162.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -145.52 153.96 41.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.748 162.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -53.68 126.32 21.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.12 156.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 tp -71.15 -38.83 72.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.461 0.704 . . . . 0.0 110.578 167.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 m -60.79 -43.51 98.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.449 2.3 . . . . 0.0 114.729 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.7 p -111.93 -36.07 5.51 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.917 1.287 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.27 -3.09 56.59 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.76 1.647 . . . . 0.0 113.899 -168.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.35 124.5 20.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.777 1.289 . . . . 0.0 110.157 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.3 m -112.93 146.87 38.22 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.311 1.844 . . . . 0.0 109.999 -166.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.98 -141.01 6.62 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.629 1.585 . . . . 0.0 113.661 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.35 164.97 14.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.121 1.368 . . . . 0.0 113.524 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.49 154.47 38.33 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.071 2.148 . . . . 0.0 108.6 166.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.13 124.07 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.386 2.057 . . . . 0.0 108.218 161.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.6 p -60.05 -36.57 39.57 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.61 -19.53 48.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 122.08 1.779 . . . . 0.0 114.001 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -92.22 -46.8 7.55 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.856 0.863 . . . . 0.0 111.893 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.8 tp -49.67 -46.06 49.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.126 0.57 . . . . 0.0 110.934 168.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.977 0 C-N-CA 125.518 1.527 . . . . 0.0 113.59 175.82 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 t -170.93 165.17 7.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.216 1.407 . . . . 0.0 113.502 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -96.08 154.33 17.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.644 2.778 . . . . 0.0 112.057 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -163.79 147.66 10.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.334 1.054 . . . . 0.0 112.162 -166.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -103.64 147.46 27.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.499 1.12 . . . . 0.0 110.31 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.64 110.27 9.9 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 109.788 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.18 5.93 44.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.599 1.56 . . . . 0.0 113.341 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -166.67 157.75 12.54 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.862 2.065 . . . . 0.0 110.282 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.21 150.07 24.64 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -153.52 163.87 39.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.517 1.127 . . . . 0.0 112.982 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.76 123.99 3.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.068 1.347 . . . . 0.0 109.958 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.19 13.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.903 2.081 . . . . 0.0 115.531 -165.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -83.42 -35.32 25.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 113.531 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -114.38 -166.01 1.06 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.221 1.809 . . . . 0.0 109.252 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -81.11 -8.94 59.87 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.198 2.199 . . . . 0.0 114.248 170.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.39 -30.74 9.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.22 1.408 . . . . 0.0 114.698 -167.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -88.03 156.76 19.14 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.371 1.468 . . . . 0.0 113.214 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -98.8 140.79 32.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.243 1.017 . . . . 0.0 112.967 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -90.03 153.87 20.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.74 0.816 . . . . 0.0 112.497 166.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -163.3 -162.63 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.276 1.431 . . . . 0.0 112.034 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -147.78 157.22 43.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.395 1.478 . . . . 0.0 109.936 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -61.77 118.07 6.68 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.727 -0.608 . . . . 0.0 110.095 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 -10.67 36.86 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.709 2.1 . . . . 0.0 114.286 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.45 151.39 46.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.73 1.765 . . . . 0.0 111.313 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -108.97 136.86 47.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.007 0.923 . . . . 0.0 111.502 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -134.59 147.08 50.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.848 1.659 . . . . 0.0 112.894 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.2 130.07 50.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.095 2.158 . . . . 0.0 108.081 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mm -97.59 112.07 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.188 1.395 . . . . 0.0 108.505 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -76.31 -48.86 18.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.203 1.401 . . . . 0.0 109.585 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -166.67 151.83 7.86 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.447 1.899 . . . . 0.0 112.479 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 m -97.59 45.93 1.03 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.071 2.148 . . . . 0.0 112.618 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -82.42 -24.86 34.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -137.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -107.76 8.44 28.85 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.491 1.516 . . . . 0.0 110.893 172.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.44 -68.81 2.07 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 127.244 2.354 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.11 -34.57 71.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.475 1.91 . . . . 0.0 111.427 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -113.4 145.22 41.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.107 1.763 . . . . 0.0 111.195 170.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -119.2 164.08 16.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.258 1.823 . . . . 0.0 112.202 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -102.34 120.38 40.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.196 1.798 . . . . 0.0 108.378 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.81 173.71 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.761 1.224 . . . . 0.0 112.042 -170.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -143.17 134.32 25.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 127.291 2.237 . . . . 0.0 109.776 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -79.61 141.43 36.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.137 0.97 . . . . 0.0 112.185 171.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -87.53 8.66 23.99 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.54 1.936 . . . . 0.0 113.721 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -78.2 -51.44 10.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.093 1.357 . . . . 0.0 110.317 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -121.14 -29.52 4.52 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.989 2.115 . . . . 0.0 113.812 -170.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.98 67.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.587 1.565 . . . . 0.0 113.937 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.55 137.22 58.19 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 111.026 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -124.42 147.47 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.726 2.01 . . . . 0.0 110.54 -164.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.63 -156.57 28.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.494 1.521 . . . . 0.0 113.373 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -100.62 150.75 22.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.91 0.884 . . . . 0.0 113.146 -175.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 pp -140.12 154.14 69.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 125.69 1.596 . . . . 0.0 110.454 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.46 121.37 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.67 2.247 . . . . 0.0 108.137 167.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 p -54.38 -40.13 80.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.328 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -70.43 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 123.18 2.171 . . . . 0.0 113.449 -172.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -118.9 3.93 11.51 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.561 . . . . 0.0 112.663 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -97.53 -44.87 6.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.903 0.481 . . . . 0.0 110.845 154.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 127.274 2.23 . . . . 0.0 114.349 179.316 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -170.28 158.56 6.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.032 2.133 . . . . 0.0 110.448 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.21 174.58 8.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.104 1.362 . . . . 0.0 112.046 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -166.55 142.69 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.357 1.863 . . . . 0.0 111.175 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -117.59 130.5 56.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.325 1.05 . . . . 0.0 109.701 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 127.58 31.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.169 1.388 . . . . 0.0 110.761 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.93 -17.34 47.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -144.01 170.01 16.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.946 1.299 . . . . 0.0 112.784 -170.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -90.2 148.89 22.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.015 0.926 . . . . 0.0 111.651 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.35 165.68 35.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.844 1.658 . . . . 0.0 113.032 -166.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.69 121.87 7.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.975 1.31 . . . . 0.0 110.498 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 139.94 50.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.889 1.675 . . . . 0.0 114.379 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -97.08 -31.06 12.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.68 1.592 . . . . 0.0 113.859 -167.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -113.78 -146.71 0.41 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.907 2.083 . . . . 0.0 109.53 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -110.88 -1.49 16.46 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.632 1.973 . . . . 0.0 112.138 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -126.64 -19.68 4.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.696 1.598 . . . . 0.0 114.511 -169.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -84.78 169.66 13.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.572 0.749 . . . . 0.0 111.957 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 148.11 50.04 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.476 1.11 . . . . 0.0 111.501 -162.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -100.15 150.04 22.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.852 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -152.54 167.3 29.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 123.166 1.46 . . . . 0.0 112.594 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.35 160.63 26.34 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.219 1.408 . . . . 0.0 107.328 166.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -50.95 130.27 25.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.749 0.82 . . . . 0.0 111.162 171.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.4 78.4 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.556 1.551 . . . . 0.0 114.776 -174.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.33 143.59 55.12 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.916 1.858 . . . . 0.0 110.947 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -118.99 126.29 51.38 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.953 0.882 . . . . 0.0 112.623 -160.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.84 170.31 11.18 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.352 1.861 . . . . 0.0 110.811 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -126.17 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.601 1.96 . . . . 0.0 108.726 166.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 mm -97.88 112.47 30.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 124.523 1.129 . . . . 0.0 108.553 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.0 -43.18 35.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.042 1.337 . . . . 0.0 110.205 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -166.58 149.55 6.87 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.118 1.767 . . . . 0.0 112.651 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -93.86 48.2 1.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.385 2.274 . . . . 0.0 112.884 -172.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -76.38 -50.44 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -138.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -90.32 -2.93 58.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.125 0.97 . . . . 0.0 110.877 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.7 -49.05 1.65 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.533 2.492 . . . . 0.0 113.095 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.99 -26.02 27.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.998 2.519 . . . . 0.0 112.502 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -132.76 118.2 18.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.244 1.418 . . . . 0.0 110.128 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -98.35 148.65 23.45 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.126 0.97 . . . . 0.0 112.759 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.15 114.85 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 166.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 m -125.87 172.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 125.938 1.695 . . . . 0.0 111.126 -176.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -144.9 136.1 25.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.553 1.941 . . . . 0.0 107.417 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -67.51 143.51 56.14 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.407 -1.433 . . . . 0.0 111.019 173.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 tp -78.44 -41.07 33.87 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.366 -0.834 . . . . 0.0 111.186 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -53.81 -45.71 70.87 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.461 2.305 . . . . 0.0 113.513 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -121.29 -39.09 2.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.211 1.404 . . . . 0.0 114.315 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.2 23.77 23.83 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.672 1.13 . . . . 0.0 114.185 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.1 134.98 42.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.704 1.201 . . . . 0.0 109.501 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.1 m -106.97 149.69 27.26 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.258 1.423 . . . . 0.0 110.212 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.02 -151.45 19.9 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 124.808 1.194 . . . . 0.0 113.72 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.38 169.83 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.043 1.737 . . . . 0.0 113.075 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -156.5 156.74 30.47 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 127.035 2.134 . . . . 0.0 109.545 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.44 101.85 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.246 2.631 . . . . 0.0 109.965 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 m -58.66 -42.77 96.13 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.379 1.872 . . . . 0.0 114.467 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -62.2 -22.97 75.03 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 123.163 2.575 . . . . 0.0 115.192 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -101.95 -37.19 8.33 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.866 0.866 . . . . 0.0 112.811 -174.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.06 -46.61 65.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 110.912 168.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 127.008 2.123 . . . . 0.0 114.338 176.103 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.8 p -64.83 141.04 58.91 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 127.42 2.288 . . . . 0.0 111.459 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.19 169.37 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.935 0.894 . . . . 0.0 112.565 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -165.96 156.47 12.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.665 2.386 . . . . 0.0 110.467 171.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -106.53 147.56 29.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.69 0.796 . . . . 0.0 110.533 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.27 7.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.249 1.419 . . . . 0.0 111.263 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.83 -26.58 54.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.487 1.515 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -161.03 155.4 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.38 1.872 . . . . 0.0 111.644 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.04 152.27 43.71 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.689 1.195 . . . . 0.0 112.435 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -156.48 159.58 38.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.493 1.517 . . . . 0.0 111.473 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -155.29 121.11 5.08 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.679 1.192 . . . . 0.0 109.168 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.89 121.54 10.78 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.732 1.613 . . . . 0.0 114.618 -159.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -77.02 -23.82 52.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.001 1.72 . . . . 0.0 113.525 -170.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -110.89 -33.35 6.54 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.6 1.56 . . . . 0.0 112.431 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 96.34 -7.78 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 130.679 3.592 . . . . 0.0 112.588 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -81.56 -22.92 37.5 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.911 1.285 . . . . 0.0 112.101 164.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.3 167.4 20.97 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.033 2.133 . . . . 0.0 112.511 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 tp -111.61 127.46 55.75 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 125.457 1.503 . . . . 0.0 111.085 -170.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -82.91 150.69 26.33 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.284 1.834 . . . . 0.0 112.563 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.52 160.84 39.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.409 1.1 . . . . 0.0 112.693 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -122.79 145.93 47.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.268 1.827 . . . . 0.0 108.011 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -50.28 133.95 23.41 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.899 0.856 . . . . 0.0 112.313 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.4 -3.31 54.41 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.165 -1.353 . . . . 0.0 115.7 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.14 143.78 57.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.931 1.866 . . . . 0.0 110.536 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.72 140.23 39.09 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.519 0.728 . . . . 0.0 111.407 -174.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -141.43 165.33 27.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.952 1.301 . . . . 0.0 112.269 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -125.61 137.9 53.91 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.587 2.355 . . . . 0.0 108.538 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.81 125.91 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.481 0.713 . . . . 0.0 109.118 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -93.76 -35.47 12.76 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.088 2.155 . . . . 0.0 111.971 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -157.84 129.76 6.97 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.965 1.306 . . . . 0.0 112.733 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.422 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 13.1 p -115.04 -3.91 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.911 2.485 . . . . 0.0 113.87 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 m -69.07 -14.87 63.27 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.308 -1.495 . . . . 0.0 114.259 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.9 -14.61 61.51 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.704 0.802 . . . . 0.0 112.85 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.97 -51.58 3.52 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 127.379 2.419 . . . . 0.0 115.33 165.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.93 -42.23 10.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.166 1.786 . . . . 0.0 111.662 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -119.23 131.82 55.85 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.781 1.632 . . . . 0.0 110.603 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TRP . . . . . 0.422 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 49.8 m0 -115.8 144.89 43.36 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.172 1.389 . . . . 0.0 111.881 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.48 126.27 32.6 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.608 1.563 . . . . 0.0 110.06 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.85 156.45 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 126.323 1.849 . . . . 0.0 110.561 -170.468 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -133.83 137.23 44.93 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.552 1.141 . . . . 0.0 110.303 157.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -72.01 145.52 48.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.937 0.875 . . . . 0.0 110.594 163.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.61 -29.85 11.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.752 2.021 . . . . 0.0 112.224 -171.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 p -62.7 -45.94 90.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.98 2.512 . . . . 0.0 111.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -122.23 -4.11 8.95 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.929 2.492 . . . . 0.0 114.013 -172.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.92 1.28 58.86 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.479 1.352 . . . . 0.0 116.479 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.71 135.38 48.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.526 1.663 . . . . 0.0 112.307 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 m -117.18 150.37 38.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.877 1.671 . . . . 0.0 110.667 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.19 -148.69 9.7 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.789 1.185 . . . . 0.0 113.659 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -118.98 149.53 41.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.26 1.424 . . . . 0.0 112.49 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.47 146.85 61.0 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.652 1.181 . . . . 0.0 111.781 169.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.64 131.8 27.06 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.763 2.309 . . . . 0.0 108.635 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.5 p -58.74 -36.42 43.03 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -9.06 23.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 CA-C-N 122.686 1.995 . . . . 0.0 112.746 -172.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -42.12 -45.84 4.12 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.782 166.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.424 ' H ' HD21 ' A' ' 55' ' ' LEU . 2.0 pt? -119.4 -23.13 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.768 1.627 . . . . 0.0 113.841 178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 178.217 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 p -77.95 155.43 30.84 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.913 1.685 . . . . 0.0 112.208 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.32 167.89 10.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 113.277 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -163.38 156.38 18.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.213 1.805 . . . . 0.0 112.607 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -104.76 140.73 37.66 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.448 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.51 117.7 6.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.189 1.796 . . . . 0.0 111.601 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.72 -27.44 64.97 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.877 0.871 . . . . 0.0 112.293 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -164.14 158.16 18.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.506 1.922 . . . . 0.0 111.089 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.95 151.47 46.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.378 . . . . 0.0 112.751 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -155.01 156.21 35.55 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.108 1.763 . . . . 0.0 111.143 -169.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.39 122.37 5.94 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.701 -1.249 . . . . 0.0 109.531 -170.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 127.27 31.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -159.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -81.04 -36.19 30.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.91 2.484 . . . . 0.0 113.672 -171.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -109.61 -31.79 7.35 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.722 1.609 . . . . 0.0 113.172 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 95.1 -3.75 0.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 130.259 3.424 . . . . 0.0 113.06 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.12 -15.5 31.49 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.228 1.011 . . . . 0.0 112.422 162.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.429 ' HA ' ' H ' ' A' ' 49' ' ' TYR . 16.6 p-10 -82.33 168.65 17.34 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.819 2.047 . . . . 0.0 112.492 166.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -113.99 135.1 54.37 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.886 1.674 . . . . 0.0 110.426 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 150.94 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.777 0.831 . . . . 0.0 112.318 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -142.32 171.94 13.37 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 122.88 1.324 . . . . 0.0 113.152 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -149.55 146.29 27.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.054 1.742 . . . . 0.0 108.455 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -48.9 119.51 3.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.199 0.999 . . . . 0.0 113.0 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.55 4.17 90.23 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.625 1.583 . . . . 0.0 115.784 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.5 136.06 55.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.282 2.041 . . . . 0.0 111.537 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -87.55 135.11 33.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.164 0.986 . . . . 0.0 112.433 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -141.17 170.4 15.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.65 1.58 . . . . 0.0 112.486 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -140.02 145.44 37.77 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.41 2.284 . . . . 0.0 108.637 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.06 124.95 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.638 1.175 . . . . 0.0 109.356 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 -36.57 12.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.906 1.682 . . . . 0.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -156.14 136.6 13.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 113.146 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -117.22 -3.39 11.49 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.607 2.763 . . . . 0.0 113.965 -174.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -65.41 -19.6 66.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -164.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.58 -6.72 54.69 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.013 0.824 . . . . 0.0 112.745 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.56 4.35 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.895 2.188 . . . . 0.0 113.994 170.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -89.34 -37.39 14.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.215 1.806 . . . . 0.0 112.671 -171.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -130.54 134.95 47.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.293 1.437 . . . . 0.0 111.173 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -116.73 141.59 48.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.964 1.706 . . . . 0.0 112.121 -171.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -75.83 111.48 11.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.275 1.83 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.64 153.46 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 127.575 2.35 . . . . 0.0 110.273 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -133.01 136.7 46.17 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 125.475 1.51 . . . . 0.0 109.864 161.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -71.8 142.68 49.66 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 123.403 0.681 . . . . 0.0 111.102 167.141 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -94.93 -30.89 13.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.38 1.472 . . . . 0.0 112.433 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 p -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.825 1.65 . . . . 0.0 111.471 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -110.33 -43.16 3.96 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.676 1.99 . . . . 0.0 113.525 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.98 3.05 39.4 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.249 1.404 . . . . 0.0 115.112 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.12 137.73 56.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.009 1.404 . . . . 0.0 110.916 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.0 m -122.79 147.65 46.28 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.086 1.754 . . . . 0.0 109.262 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.16 -151.12 11.7 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.471 1.51 . . . . 0.0 113.675 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' TYR . . . . . 0.429 ' H ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m-85 -113.67 153.4 28.98 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 pt -136.48 153.3 76.05 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 126.642 1.977 . . . . 0.0 110.705 163.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -61.17 135.13 56.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.233 1.955 . . . . 0.0 109.262 163.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -61.65 -35.75 25.14 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--N 1.36 1.171 0 CA-C-N 122.614 1.969 . . . . 0.0 113.442 -178.88 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -175.01 160.93 2.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.466 1.907 . . . . 0.0 110.874 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.81 176.58 6.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.293 1.037 . . . . 0.0 112.968 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -162.84 157.82 21.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.661 2.784 . . . . 0.0 109.945 170.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -117.15 134.01 55.3 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.697 0.799 . . . . 0.0 108.96 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.26 118.11 7.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.43 1.492 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.6 mt -85.04 -4.09 59.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.069 1.348 . . . . 0.0 112.551 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -161.03 173.16 15.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.43 1.492 . . . . 0.0 112.005 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.62 154.14 17.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.891 1.676 . . . . 0.0 112.595 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -159.45 166.03 31.85 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.671 1.588 . . . . 0.0 112.884 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -155.67 120.17 4.66 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.642 1.577 . . . . 0.0 109.635 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 133.61 50.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -94.77 -36.74 11.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.168 1.787 . . . . 0.0 114.574 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -94.04 -37.17 11.77 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.014 1.279 . . . . 0.0 111.508 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 105.21 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 131.239 3.816 . . . . 0.0 111.72 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -88.32 -17.47 30.56 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.058 1.743 . . . . 0.0 112.502 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -80.29 162.79 24.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.434 1.893 . . . . 0.0 112.381 166.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.4 mt -106.63 154.3 21.12 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 125.497 1.519 . . . . 0.0 111.237 -176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -105.81 149.22 26.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.806 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.0 160.96 40.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 122.633 1.206 . . . . 0.0 113.337 -168.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -123.24 148.47 45.83 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 113.822 -1.536 . . . . 0.0 109.075 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -56.04 123.81 15.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.251 0.548 . . . . 0.0 111.333 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.06 -13.09 45.07 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 117.54 -1.7 . . . . 0.0 115.0 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.8 135.09 56.35 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.359 2.08 . . . . 0.0 110.475 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.19 126.03 40.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.458 1.103 . . . . 0.0 110.52 177.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -112.26 145.84 39.25 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.037 1.735 . . . . 0.0 111.432 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -100.79 131.08 46.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.118 1.767 . . . . 0.0 107.412 161.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.0 117.38 42.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 109.162 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -86.07 -41.42 14.8 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.148 1.779 . . . . 0.0 111.448 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -168.49 143.71 3.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 126.304 1.842 . . . . 0.0 111.75 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 m -95.01 56.31 1.93 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.613 1.673 . . . . 0.0 112.735 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -79.18 -36.37 40.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -139.525 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -107.41 19.27 20.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.653 1.181 . . . . 0.0 111.311 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.41 -34.53 1.34 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.882 2.182 . . . . 0.0 114.427 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.36 -20.98 3.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 112.744 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -120.67 121.46 38.34 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.117 0.967 . . . . 0.0 109.315 167.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -111.85 155.74 23.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.099 0.96 . . . . 0.0 112.362 -171.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.57 123.73 33.91 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 109.598 171.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.85 172.46 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 125.642 1.577 . . . . 0.0 111.684 -170.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -144.26 153.59 42.2 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.349 159.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 t -52.15 123.31 10.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.505 155.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.26 -42.67 83.49 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.196 164.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.9 m -63.73 -38.39 90.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.74 2.016 . . . . 0.0 113.88 -171.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -115.35 -40.08 3.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 112.096 -176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.29 -1.62 46.85 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.117 1.817 . . . . 0.0 114.516 -171.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.48 134.16 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.107 1.454 . . . . 0.0 110.614 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.2 m -122.98 147.58 46.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.76 2.024 . . . . 0.0 110.006 -165.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.5 -152.5 20.54 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.951 1.263 . . . . 0.0 114.572 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -103.13 169.95 8.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 112.926 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 pp -156.4 156.55 30.28 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 126.232 1.813 . . . . 0.0 110.376 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 112.72 3.6 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.938 2.425 . . . . 0.0 109.339 158.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -47.37 -55.59 15.69 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.424 1.49 . . . . 0.0 113.758 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--N 1.354 0.864 0 C-N-CA 122.622 2.214 . . . . 0.0 113.885 -171.829 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -174.41 165.4 3.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.644 2.378 . . . . 0.0 110.779 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.1 176.88 5.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 112.219 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -164.84 157.37 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 111.608 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -122.74 133.22 54.48 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.537 1.135 . . . . 0.0 109.683 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 118.89 7.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.086 1.754 . . . . 0.0 110.75 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.64 -1.62 58.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.02 1.328 . . . . 0.0 112.999 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -157.74 170.05 23.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.355 1.462 . . . . 0.0 112.373 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.02 150.76 20.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.724 1.609 . . . . 0.0 112.663 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -160.08 166.52 29.71 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.069 1.748 . . . . 0.0 112.523 -173.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -151.41 121.53 7.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 109.765 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.05 133.46 56.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.37 1.468 . . . . 0.0 114.587 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -102.65 -38.22 7.59 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.484 1.514 . . . . 0.0 114.245 -162.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.4 -27.14 19.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.402 1.481 . . . . 0.0 111.594 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 100.68 -20.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 130.844 3.658 . . . . 0.0 111.168 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -92.75 -10.81 35.68 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.648 1.979 . . . . 0.0 112.82 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.16 179.42 7.49 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.905 2.082 . . . . 0.0 112.181 163.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -125.7 147.16 49.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.683 1.193 . . . . 0.0 112.1 -162.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 m -108.48 147.39 31.75 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.786 0.834 . . . . 0.0 112.165 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -155.84 157.8 37.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 122.72 1.248 . . . . 0.0 113.716 -170.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -121.61 152.2 39.55 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.735 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -59.44 123.64 17.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.323 0.582 . . . . 0.0 111.628 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.64 -11.46 42.33 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.736 2.112 . . . . 0.0 115.2 -170.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.82 138.16 50.1 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 120.099 1.95 . . . . 0.0 111.026 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.87 134.99 41.96 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.407 1.083 . . . . 0.0 112.47 -174.581 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.89 150.4 41.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.253 1.821 . . . . 0.0 112.13 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.66 135.5 48.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.344 2.258 . . . . 0.0 108.075 169.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.35 117.88 43.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 124.895 1.278 . . . . 0.0 109.905 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.4 mt -88.39 -32.46 18.34 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.118 1.767 . . . . 0.0 111.174 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -168.65 149.9 4.76 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.709 2.004 . . . . 0.0 113.125 170.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 m -99.18 54.04 0.97 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.453 2.301 . . . . 0.0 112.833 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -81.1 -46.26 15.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -136.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -111.26 6.03 20.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.673 1.589 . . . . 0.0 110.907 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.55 -56.5 3.77 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 126.831 2.158 . . . . 0.0 113.369 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -81.35 -23.38 37.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.717 2.007 . . . . 0.0 111.998 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -134.33 140.17 46.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.745 1.618 . . . . 0.0 111.539 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -124.92 163.08 23.04 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.57 1.148 . . . . 0.0 113.51 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.18 119.71 35.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.714 1.606 . . . . 0.0 109.592 170.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 m -145.95 174.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.13 -1.396 . . . . 0.0 111.847 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -145.3 156.4 43.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.39 159.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -54.6 125.36 19.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.708 0.766 . . . . 0.0 110.273 155.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.58 -38.42 67.88 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.949 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -63.55 -42.79 98.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.079 2.152 . . . . 0.0 113.832 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -110.42 -37.75 5.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.19 -7.7 40.89 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.546 2.022 . . . . 0.0 113.972 -172.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.68 133.0 48.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.794 1.297 . . . . 0.0 111.672 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -121.02 149.58 42.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.766 2.026 . . . . 0.0 110.985 -158.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.98 -137.22 5.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.68 1.61 . . . . 0.0 113.353 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -117.9 162.49 18.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 112.859 -173.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 pp -148.72 154.5 40.68 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.46 1.904 . . . . 0.0 109.741 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -76.35 122.35 6.52 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 122.542 2.161 . . . . 0.0 108.704 159.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -52.26 -57.45 15.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.471 1.908 . . . . 0.0 113.655 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo . . . . . 0 C--N 1.356 0.945 0 C-N-CA 122.222 1.948 . . . . 0.0 113.192 -172.71 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -164.31 160.96 21.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.598 1.559 . . . . 0.0 111.954 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.28 167.91 9.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.125 1.77 . . . . 0.0 113.088 -171.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -164.15 154.19 14.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.52 1.928 . . . . 0.0 112.08 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -126.2 133.18 51.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.156 1.382 . . . . 0.0 110.029 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 125.57 27.13 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.76 2.024 . . . . 0.0 112.046 -175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -86.9 -18.24 31.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -145.43 172.66 12.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.983 1.313 . . . . 0.0 112.866 -170.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.61 149.78 23.39 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.231 1.413 . . . . 0.0 112.748 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -158.09 167.15 30.67 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.914 1.685 . . . . 0.0 113.002 -166.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -151.87 125.61 9.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.759 1.624 . . . . 0.0 108.988 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 127.38 31.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.826 1.65 . . . . 0.0 114.723 -167.39 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -87.25 -36.37 17.98 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.628 1.571 . . . . 0.0 114.434 -166.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -133.08 -10.66 2.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.131 1.372 . . . . 0.0 113.596 -167.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 98.21 -8.96 0.06 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 129.758 3.223 . . . . 0.0 113.374 154.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -79.0 -26.08 43.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.582 2.353 . . . . 0.0 112.379 157.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -82.4 165.52 20.2 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.249 1.82 . . . . 0.0 112.828 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 mt -118.75 147.98 43.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.685 1.594 . . . . 0.0 110.485 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -91.15 142.61 27.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.79 -0.569 . . . . 0.0 111.701 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -140.89 157.85 44.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 122.543 1.163 . . . . 0.0 112.321 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -119.84 159.39 24.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.087 168.094 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -51.41 122.03 7.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.663 0.785 . . . . 0.0 110.079 171.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.01 -11.14 58.78 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.918 1.723 . . . . 0.0 115.867 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.94 143.24 56.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.842 1.821 . . . . 0.0 110.959 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -112.86 134.84 54.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.61 1.964 . . . . 0.0 111.973 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -130.17 153.75 48.22 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.984 2.113 . . . . 0.0 111.258 -169.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.96 143.71 51.21 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.743 1.217 . . . . 0.0 109.493 160.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.6 mm -101.32 121.74 52.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 125.541 1.536 . . . . 0.0 109.106 -171.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.56 -41.19 14.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.273 1.829 . . . . 0.0 111.581 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -175.93 130.21 0.24 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.639 1.576 . . . . 0.0 111.665 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -121.29 17.1 11.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.628 1.171 . . . . 0.0 113.11 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -60.41 -26.64 66.84 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.14 0.85 57.47 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.758 1.223 . . . . 0.0 113.571 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.32 -49.51 3.82 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 126.843 2.163 . . . . 0.0 116.226 157.353 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.49 -29.79 12.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.461 1.905 . . . . 0.0 112.857 -172.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.97 127.54 46.1 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.523 1.529 . . . . 0.0 109.093 165.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -107.62 155.18 20.42 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.828 0.851 . . . . 0.0 112.272 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.06 128.22 33.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.353 1.061 . . . . 0.0 109.458 166.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.19 171.93 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 126.397 1.879 . . . . 0.0 112.6 -173.433 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -141.8 140.4 33.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 127.55 2.34 . . . . 0.0 108.501 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -66.85 129.08 38.7 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 123.841 0.856 . . . . 0.0 110.826 165.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.79 -37.68 76.42 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.155 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -67.4 -43.03 82.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.678 1.991 . . . . 0.0 113.754 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -108.44 -40.99 4.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.654 1.181 . . . . 0.0 112.479 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.23 4.26 53.63 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.9 1.714 . . . . 0.0 114.362 -168.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.37 140.74 57.22 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.948 1.374 . . . . 0.0 111.736 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 p -118.45 142.68 47.33 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.844 2.458 . . . . 0.0 111.921 -170.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.36 -151.85 19.19 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.178 1.371 . . . . 0.0 114.659 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -110.81 171.62 7.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.491 1.916 . . . . 0.0 113.55 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -155.07 154.42 28.77 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 127.105 2.162 . . . . 0.0 110.837 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.47 96.41 0.94 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.474 2.783 . . . . 0.0 109.062 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -53.68 -47.24 97.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 127.303 2.241 . . . . 0.0 115.71 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo . . . . . 0 C--N 1.357 1.008 0 C-N-CA 122.232 1.955 . . . . 0.0 113.091 179.687 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -70.23 152.96 43.64 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.563 2.345 . . . . 0.0 112.072 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.55 168.03 9.53 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.407 1.083 . . . . 0.0 112.891 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.57 160.15 31.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.759 1.623 . . . . 0.0 112.359 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -110.54 143.45 40.89 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.87 0.868 . . . . 0.0 109.491 168.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.16 115.99 4.22 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.312 1.845 . . . . 0.0 112.089 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.65 -36.13 80.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.41 0.684 . . . . 0.0 111.866 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -158.24 158.19 34.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.634 1.574 . . . . 0.0 111.547 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.71 149.02 49.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.64 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -156.15 155.64 32.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.291 1.436 . . . . 0.0 111.934 -169.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -159.18 127.51 5.12 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.119 -0.988 . . . . 0.0 110.948 -171.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.83 121.32 11.43 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -156.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -83.04 -41.91 18.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.064 1.745 . . . . 0.0 113.563 -172.294 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -96.61 -32.64 12.13 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.488 1.515 . . . . 0.0 111.862 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 98.43 -9.33 0.05 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 131.377 3.871 . . . . 0.0 112.334 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.86 -17.02 42.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.395 1.478 . . . . 0.0 112.531 167.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.92 167.97 12.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.932 2.493 . . . . 0.0 113.821 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -114.93 148.33 38.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.959 2.103 . . . . 0.0 111.191 -167.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -117.28 151.67 36.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -147.64 167.74 23.82 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.996 1.379 . . . . 0.0 113.866 -166.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -132.54 144.49 50.45 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.434 2.294 . . . . 0.0 107.522 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -52.26 129.37 27.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.158 0.98 . . . . 0.0 112.276 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.52 83.64 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.118 1.818 . . . . 0.0 115.85 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.66 144.09 56.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.686 2.243 . . . . 0.0 111.767 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.01 130.14 50.0 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 112.148 -169.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.64 165.59 27.06 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.61 1.564 . . . . 0.0 112.347 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -133.51 139.49 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.802 2.041 . . . . 0.0 108.655 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.9 mm -85.86 131.04 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.29 -30.51 11.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.086 1.754 . . . . 0.0 111.979 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -152.67 130.02 11.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.35 1.46 . . . . 0.0 111.842 174.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.9 p -114.27 -6.02 12.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.945 2.098 . . . . 0.0 113.512 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.9 m -88.32 -3.42 58.85 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.135 -1.603 . . . . 0.0 114.477 -161.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.99 -14.62 62.79 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 121.727 -0.608 . . . . 0.0 111.971 157.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.79 -51.56 4.31 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 127.405 2.431 . . . . 0.0 114.727 166.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.9 -43.87 14.84 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 111.945 -175.373 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -127.7 140.31 52.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.133 1.373 . . . . 0.0 111.099 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 47.6 m0 -114.81 140.21 49.11 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.958 1.703 . . . . 0.0 111.458 -173.265 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.54 123.76 26.04 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.978 1.311 . . . . 0.0 109.367 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.38 155.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 126.442 1.897 . . . . 0.0 110.168 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -129.52 137.58 50.87 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 124.721 1.208 . . . . 0.0 109.779 158.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -71.35 146.89 48.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 159.647 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -97.75 -28.46 13.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.119 1.367 . . . . 0.0 112.154 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.7 p -67.3 -44.48 79.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.528 1.931 . . . . 0.0 111.59 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -117.74 -6.77 11.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.217 2.607 . . . . 0.0 113.807 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.76 -0.77 56.05 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.912 1.244 . . . . 0.0 115.971 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.27 128.85 37.53 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.005 1.403 . . . . 0.0 111.734 -172.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -113.92 146.51 39.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.845 1.658 . . . . 0.0 109.649 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.31 -142.35 7.13 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 125.698 1.618 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -124.22 150.27 45.45 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.5 pt -131.45 149.9 74.87 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.634 1.574 . . . . 0.0 111.487 165.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 135.34 37.27 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.503 2.135 . . . . 0.0 108.32 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 p -60.08 -37.46 48.76 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 CA-C-N 122.77 2.025 . . . . 0.0 113.042 -177.267 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -174.73 171.95 3.1 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.845 2.458 . . . . 0.0 110.731 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -107.69 173.75 6.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.662 1.985 . . . . 0.0 112.2 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -158.23 157.93 33.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.445 1.898 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -125.74 130.59 51.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.248 1.019 . . . . 0.0 109.985 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.67 122.29 16.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.276 1.83 . . . . 0.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 mt -94.33 6.09 49.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.787 1.635 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.22 166.62 27.48 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.943 1.697 . . . . 0.0 111.234 -170.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -96.12 148.41 22.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.054 1.342 . . . . 0.0 112.787 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.14 167.35 30.08 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.036 1.734 . . . . 0.0 113.097 -173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.29 120.63 3.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.462 1.505 . . . . 0.0 109.421 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.13 39.66 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -160.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -90.92 -31.7 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.356 1.463 . . . . 0.0 114.293 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -94.96 -34.02 12.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.36 1.436 . . . . 0.0 112.113 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 109.21 -23.43 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 131.28 3.832 . . . . 0.0 111.192 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.72 -18.18 30.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.489 1.916 . . . . 0.0 113.048 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.71 165.41 25.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.658 1.583 . . . . 0.0 111.981 163.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -106.38 141.75 37.18 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 124.782 1.233 . . . . 0.0 111.244 -170.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -96.74 140.81 30.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.009 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -149.37 159.27 44.43 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 122.843 1.306 . . . . 0.0 113.44 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -126.48 152.98 45.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.996 1.318 . . . . 0.0 109.19 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -57.91 125.73 24.37 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.377 0.608 . . . . 0.0 111.343 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.3 -11.1 58.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.106 1.812 . . . . 0.0 114.88 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.9 134.92 50.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.393 2.097 . . . . 0.0 111.409 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.87 140.0 33.7 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.768 1.227 . . . . 0.0 112.248 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.93 152.57 48.41 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.927 2.091 . . . . 0.0 112.357 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -114.59 133.24 55.97 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.398 2.279 . . . . 0.0 108.605 164.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.4 mm -104.61 122.12 57.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.527 1.531 . . . . 0.0 110.051 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.88 -36.2 9.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.768 2.027 . . . . 0.0 112.836 -169.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -172.48 141.8 1.2 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.053 1.741 . . . . 0.0 113.432 170.391 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -83.8 50.81 1.89 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.294 1.837 . . . . 0.0 113.877 -177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -75.7 -29.83 59.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -150.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -107.64 5.33 26.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 111.638 173.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.08 -58.44 3.59 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.702 2.096 . . . . 0.0 113.187 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.03 -31.24 31.07 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.508 1.923 . . . . 0.0 112.532 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -117.89 132.76 56.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.992 1.317 . . . . 0.0 110.037 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.62 152.85 27.16 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.156 0.982 . . . . 0.0 111.859 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.84 131.09 35.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.7 1.2 . . . . 0.0 110.168 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.52 175.42 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.336 1.855 . . . . 0.0 112.205 -167.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -141.31 157.88 44.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.024 151.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -54.04 135.29 43.28 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 123.858 0.863 . . . . 0.0 111.193 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.07 -37.59 23.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.486 0.714 . . . . 0.0 111.515 165.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.0 m -63.49 -41.42 98.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.5 1.92 . . . . 0.0 114.007 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.8 p -110.86 -38.2 5.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.336 1.454 . . . . 0.0 112.127 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.97 -6.78 37.53 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.825 1.679 . . . . 0.0 114.635 -172.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.76 130.95 49.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.837 1.318 . . . . 0.0 111.524 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -112.9 141.83 46.27 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.345 1.858 . . . . 0.0 110.661 -165.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.58 -138.19 5.02 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.457 1.503 . . . . 0.0 113.956 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -119.58 170.2 9.39 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.508 1.523 . . . . 0.0 113.478 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 pp -150.61 157.27 36.4 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.164 1.786 . . . . 0.0 110.837 167.291 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.4 108.1 2.28 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.425 2.75 . . . . 0.0 109.572 164.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -49.68 -52.35 51.72 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.779 1.632 . . . . 0.0 114.971 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 CA--C 1.539 0.749 0 C-N-CA 122.0 1.8 . . . . 0.0 114.022 -174.319 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -169.4 163.18 10.53 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.341 1.456 . . . . 0.0 112.887 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -101.15 167.15 10.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.504 1.922 . . . . 0.0 111.973 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -166.68 149.56 6.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.198 1.799 . . . . 0.0 111.166 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -113.07 135.83 53.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.345 -0.847 . . . . 0.0 109.566 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.61 116.23 3.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.034 1.734 . . . . 0.0 110.305 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.04 -11.16 58.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.776 1.631 . . . . 0.0 112.675 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -157.94 169.93 23.46 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.868 1.267 . . . . 0.0 112.485 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.89 153.39 20.24 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.824 1.25 . . . . 0.0 112.806 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -158.76 167.41 29.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.051 1.74 . . . . 0.0 112.479 -173.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 118.12 5.08 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.508 1.123 . . . . 0.0 111.229 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 136.55 56.91 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.459 1.904 . . . . 0.0 115.245 -168.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -96.66 -39.29 9.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.912 1.685 . . . . 0.0 113.713 -166.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -98.08 -31.95 11.87 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.489 1.515 . . . . 0.0 111.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 95.1 -9.19 0.1 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.841 3.257 . . . . 0.0 111.851 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.1 -16.42 33.57 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.493 1.517 . . . . 0.0 112.121 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.07 166.8 17.39 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.742 2.017 . . . . 0.0 112.18 164.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.1 mt -115.79 151.87 34.38 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.822 1.649 . . . . 0.0 111.879 -169.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 151.53 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.611 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -159.67 165.7 32.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 122.751 1.262 . . . . 0.0 113.453 -166.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.87 149.91 46.68 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.786 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -54.07 113.21 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.022 0.529 . . . . 0.0 111.354 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.52 16.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.802 1.668 . . . . 0.0 115.219 -171.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.92 138.92 52.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.832 1.816 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.66 136.67 40.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.866 1.267 . . . . 0.0 112.041 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.31 150.51 45.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.198 2.199 . . . . 0.0 112.203 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -116.26 131.42 56.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.223 2.209 . . . . 0.0 107.454 168.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.49 109.1 26.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 125.435 1.494 . . . . 0.0 108.168 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.47 -37.38 25.45 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.343 1.457 . . . . 0.0 111.205 -171.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -169.04 144.35 3.24 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.939 1.696 . . . . 0.0 113.325 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -93.35 55.78 2.33 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.186 1.47 . . . . 0.0 112.889 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -77.73 -32.64 52.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -150.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -118.06 4.12 12.07 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.868 1.267 . . . . 0.0 111.205 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -56.2 2.6 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 127.39 2.424 . . . . 0.0 114.436 171.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -77.14 -33.23 56.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.999 2.12 . . . . 0.0 111.195 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -121.73 132.88 54.87 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.129 1.371 . . . . 0.0 111.206 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -111.47 152.55 27.31 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.902 1.281 . . . . 0.0 112.535 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.49 117.29 29.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.652 1.181 . . . . 0.0 109.024 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.5 172.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 125.364 1.465 . . . . 0.0 111.293 -162.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -145.52 153.96 41.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.748 162.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -53.68 126.32 21.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.12 156.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 tp -71.15 -38.83 72.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.461 0.704 . . . . 0.0 110.578 167.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 m -60.79 -43.51 98.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.449 2.3 . . . . 0.0 114.729 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.7 p -111.93 -36.07 5.51 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.917 1.287 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.27 -3.09 56.59 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.76 1.647 . . . . 0.0 113.899 -168.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.35 124.5 20.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.777 1.289 . . . . 0.0 110.157 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.3 m -112.93 146.87 38.22 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.311 1.844 . . . . 0.0 109.999 -166.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.98 -141.01 6.62 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.629 1.585 . . . . 0.0 113.661 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.35 164.97 14.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.121 1.368 . . . . 0.0 113.524 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.49 154.47 38.33 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.071 2.148 . . . . 0.0 108.6 166.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.13 124.07 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.386 2.057 . . . . 0.0 108.218 161.353 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.6 p -60.05 -36.57 39.57 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo . . . . . 0 C--N 1.359 1.126 0 CA-C-N 122.08 1.779 . . . . 0.0 114.001 -177.777 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 t -170.93 165.17 7.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.216 1.407 . . . . 0.0 113.502 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -96.08 154.33 17.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.644 2.778 . . . . 0.0 112.057 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -163.79 147.66 10.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.334 1.054 . . . . 0.0 112.162 -166.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -103.64 147.46 27.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.499 1.12 . . . . 0.0 110.31 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.64 110.27 9.9 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 109.788 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.18 5.93 44.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.599 1.56 . . . . 0.0 113.341 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -166.67 157.75 12.54 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.862 2.065 . . . . 0.0 110.282 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.21 150.07 24.64 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -153.52 163.87 39.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.517 1.127 . . . . 0.0 112.982 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.76 123.99 3.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.068 1.347 . . . . 0.0 109.958 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.19 13.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.903 2.081 . . . . 0.0 115.531 -165.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -83.42 -35.32 25.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 113.531 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -114.38 -166.01 1.06 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.221 1.809 . . . . 0.0 109.252 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -81.11 -8.94 59.87 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.198 2.199 . . . . 0.0 114.248 170.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.39 -30.74 9.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.22 1.408 . . . . 0.0 114.698 -167.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -88.03 156.76 19.14 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.371 1.468 . . . . 0.0 113.214 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -98.8 140.79 32.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.243 1.017 . . . . 0.0 112.967 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -90.03 153.87 20.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.74 0.816 . . . . 0.0 112.497 166.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -163.3 -162.63 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.276 1.431 . . . . 0.0 112.034 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -147.78 157.22 43.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.395 1.478 . . . . 0.0 109.936 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -61.77 118.07 6.68 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.727 -0.608 . . . . 0.0 110.095 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 -10.67 36.86 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.709 2.1 . . . . 0.0 114.286 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.45 151.39 46.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.73 1.765 . . . . 0.0 111.313 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -108.97 136.86 47.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.007 0.923 . . . . 0.0 111.502 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -134.59 147.08 50.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.848 1.659 . . . . 0.0 112.894 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.2 130.07 50.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.095 2.158 . . . . 0.0 108.081 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mm -97.59 112.07 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.188 1.395 . . . . 0.0 108.505 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -76.31 -48.86 18.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.203 1.401 . . . . 0.0 109.585 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -166.67 151.83 7.86 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.447 1.899 . . . . 0.0 112.479 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 m -97.59 45.93 1.03 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.071 2.148 . . . . 0.0 112.618 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -82.42 -24.86 34.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -137.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -107.76 8.44 28.85 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.491 1.516 . . . . 0.0 110.893 172.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.44 -68.81 2.07 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 127.244 2.354 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.11 -34.57 71.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.475 1.91 . . . . 0.0 111.427 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -113.4 145.22 41.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.107 1.763 . . . . 0.0 111.195 170.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -119.2 164.08 16.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.258 1.823 . . . . 0.0 112.202 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -102.34 120.38 40.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.196 1.798 . . . . 0.0 108.378 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.81 173.71 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.761 1.224 . . . . 0.0 112.042 -170.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -143.17 134.32 25.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 127.291 2.237 . . . . 0.0 109.776 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -79.61 141.43 36.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.137 0.97 . . . . 0.0 112.185 171.185 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -87.53 8.66 23.99 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.54 1.936 . . . . 0.0 113.721 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -78.2 -51.44 10.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.093 1.357 . . . . 0.0 110.317 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -121.14 -29.52 4.52 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.989 2.115 . . . . 0.0 113.812 -170.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.98 67.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.587 1.565 . . . . 0.0 113.937 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.55 137.22 58.19 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 111.026 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -124.42 147.47 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.726 2.01 . . . . 0.0 110.54 -164.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.63 -156.57 28.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.494 1.521 . . . . 0.0 113.373 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -100.62 150.75 22.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.91 0.884 . . . . 0.0 113.146 -175.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 pp -140.12 154.14 69.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 125.69 1.596 . . . . 0.0 110.454 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.46 121.37 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.67 2.247 . . . . 0.0 108.137 167.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 p -54.38 -40.13 80.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.328 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 C--N 1.359 1.097 0 CA-C-N 123.18 2.171 . . . . 0.0 113.449 -172.546 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -170.28 158.56 6.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.032 2.133 . . . . 0.0 110.448 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.21 174.58 8.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.104 1.362 . . . . 0.0 112.046 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -166.55 142.69 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.357 1.863 . . . . 0.0 111.175 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -117.59 130.5 56.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.325 1.05 . . . . 0.0 109.701 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 127.58 31.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.169 1.388 . . . . 0.0 110.761 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.93 -17.34 47.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -144.01 170.01 16.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.946 1.299 . . . . 0.0 112.784 -170.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -90.2 148.89 22.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.015 0.926 . . . . 0.0 111.651 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.35 165.68 35.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.844 1.658 . . . . 0.0 113.032 -166.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.69 121.87 7.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.975 1.31 . . . . 0.0 110.498 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 139.94 50.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.889 1.675 . . . . 0.0 114.379 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -97.08 -31.06 12.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.68 1.592 . . . . 0.0 113.859 -167.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -113.78 -146.71 0.41 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.907 2.083 . . . . 0.0 109.53 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -110.88 -1.49 16.46 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.632 1.973 . . . . 0.0 112.138 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -126.64 -19.68 4.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.696 1.598 . . . . 0.0 114.511 -169.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -84.78 169.66 13.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.572 0.749 . . . . 0.0 111.957 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 148.11 50.04 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.476 1.11 . . . . 0.0 111.501 -162.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -100.15 150.04 22.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.852 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -152.54 167.3 29.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 123.166 1.46 . . . . 0.0 112.594 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.35 160.63 26.34 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.219 1.408 . . . . 0.0 107.328 166.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -50.95 130.27 25.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.749 0.82 . . . . 0.0 111.162 171.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.4 78.4 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.556 1.551 . . . . 0.0 114.776 -174.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.33 143.59 55.12 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.916 1.858 . . . . 0.0 110.947 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -118.99 126.29 51.38 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.953 0.882 . . . . 0.0 112.623 -160.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.84 170.31 11.18 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.352 1.861 . . . . 0.0 110.811 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -126.17 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.601 1.96 . . . . 0.0 108.726 166.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 mm -97.88 112.47 30.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 124.523 1.129 . . . . 0.0 108.553 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.0 -43.18 35.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.042 1.337 . . . . 0.0 110.205 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -166.58 149.55 6.87 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.118 1.767 . . . . 0.0 112.651 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -93.86 48.2 1.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.385 2.274 . . . . 0.0 112.884 -172.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -76.38 -50.44 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -138.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -90.32 -2.93 58.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.125 0.97 . . . . 0.0 110.877 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.7 -49.05 1.65 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.533 2.492 . . . . 0.0 113.095 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.99 -26.02 27.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.998 2.519 . . . . 0.0 112.502 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -132.76 118.2 18.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.244 1.418 . . . . 0.0 110.128 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -98.35 148.65 23.45 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.126 0.97 . . . . 0.0 112.759 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.15 114.85 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 166.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 m -125.87 172.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 125.938 1.695 . . . . 0.0 111.126 -176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -144.9 136.1 25.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.553 1.941 . . . . 0.0 107.417 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -67.51 143.51 56.14 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.407 -1.433 . . . . 0.0 111.019 173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 tp -78.44 -41.07 33.87 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.366 -0.834 . . . . 0.0 111.186 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -53.81 -45.71 70.87 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.461 2.305 . . . . 0.0 113.513 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -121.29 -39.09 2.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.211 1.404 . . . . 0.0 114.315 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.2 23.77 23.83 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.672 1.13 . . . . 0.0 114.185 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.1 134.98 42.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.704 1.201 . . . . 0.0 109.501 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.1 m -106.97 149.69 27.26 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.258 1.423 . . . . 0.0 110.212 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.02 -151.45 19.9 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 124.808 1.194 . . . . 0.0 113.72 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.38 169.83 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.043 1.737 . . . . 0.0 113.075 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -156.5 156.74 30.47 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 127.035 2.134 . . . . 0.0 109.545 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.44 101.85 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.246 2.631 . . . . 0.0 109.965 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 m -58.66 -42.77 96.13 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.379 1.872 . . . . 0.0 114.467 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo . . . . . 0 C--N 1.356 0.964 0 C-N-CA 123.163 2.575 . . . . 0.0 115.192 175.509 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.8 p -64.83 141.04 58.91 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 127.42 2.288 . . . . 0.0 111.459 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.19 169.37 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.935 0.894 . . . . 0.0 112.565 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -165.96 156.47 12.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.665 2.386 . . . . 0.0 110.467 171.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -106.53 147.56 29.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.69 0.796 . . . . 0.0 110.533 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.27 7.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.249 1.419 . . . . 0.0 111.263 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.83 -26.58 54.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.487 1.515 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -161.03 155.4 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.38 1.872 . . . . 0.0 111.644 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.04 152.27 43.71 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.689 1.195 . . . . 0.0 112.435 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -156.48 159.58 38.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.493 1.517 . . . . 0.0 111.473 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -155.29 121.11 5.08 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.679 1.192 . . . . 0.0 109.168 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.89 121.54 10.78 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.732 1.613 . . . . 0.0 114.618 -159.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -77.02 -23.82 52.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.001 1.72 . . . . 0.0 113.525 -170.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -110.89 -33.35 6.54 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.6 1.56 . . . . 0.0 112.431 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 96.34 -7.78 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 130.679 3.592 . . . . 0.0 112.588 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -81.56 -22.92 37.5 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.911 1.285 . . . . 0.0 112.101 164.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.3 167.4 20.97 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.033 2.133 . . . . 0.0 112.511 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 tp -111.61 127.46 55.75 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 125.457 1.503 . . . . 0.0 111.085 -170.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -82.91 150.69 26.33 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.284 1.834 . . . . 0.0 112.563 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.52 160.84 39.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.409 1.1 . . . . 0.0 112.693 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -122.79 145.93 47.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.268 1.827 . . . . 0.0 108.011 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -50.28 133.95 23.41 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.899 0.856 . . . . 0.0 112.313 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.4 -3.31 54.41 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.165 -1.353 . . . . 0.0 115.7 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.14 143.78 57.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.931 1.866 . . . . 0.0 110.536 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.72 140.23 39.09 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.519 0.728 . . . . 0.0 111.407 -174.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -141.43 165.33 27.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.952 1.301 . . . . 0.0 112.269 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -125.61 137.9 53.91 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.587 2.355 . . . . 0.0 108.538 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.81 125.91 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.481 0.713 . . . . 0.0 109.118 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -93.76 -35.47 12.76 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.088 2.155 . . . . 0.0 111.971 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -157.84 129.76 6.97 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.965 1.306 . . . . 0.0 112.733 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 13.1 p -115.04 -3.91 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.911 2.485 . . . . 0.0 113.87 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 m -69.07 -14.87 63.27 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.308 -1.495 . . . . 0.0 114.259 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.9 -14.61 61.51 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.704 0.802 . . . . 0.0 112.85 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.97 -51.58 3.52 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 127.379 2.419 . . . . 0.0 115.33 165.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.93 -42.23 10.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.166 1.786 . . . . 0.0 111.662 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -119.23 131.82 55.85 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.781 1.632 . . . . 0.0 110.603 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 49.8 m0 -115.8 144.89 43.36 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.172 1.389 . . . . 0.0 111.881 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.48 126.27 32.6 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.608 1.563 . . . . 0.0 110.06 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.85 156.45 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 126.323 1.849 . . . . 0.0 110.561 -170.468 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -133.83 137.23 44.93 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.552 1.141 . . . . 0.0 110.303 157.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -72.01 145.52 48.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.937 0.875 . . . . 0.0 110.594 163.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.61 -29.85 11.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.752 2.021 . . . . 0.0 112.224 -171.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 p -62.7 -45.94 90.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.98 2.512 . . . . 0.0 111.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -122.23 -4.11 8.95 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.929 2.492 . . . . 0.0 114.013 -172.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.92 1.28 58.86 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.479 1.352 . . . . 0.0 116.479 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.71 135.38 48.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.526 1.663 . . . . 0.0 112.307 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 m -117.18 150.37 38.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.877 1.671 . . . . 0.0 110.667 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.19 -148.69 9.7 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.789 1.185 . . . . 0.0 113.659 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -118.98 149.53 41.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.26 1.424 . . . . 0.0 112.49 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.47 146.85 61.0 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.652 1.181 . . . . 0.0 111.781 169.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.64 131.8 27.06 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.763 2.309 . . . . 0.0 108.635 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.5 p -58.74 -36.42 43.03 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo . . . . . 0 C--N 1.359 1.122 0 CA-C-N 122.686 1.995 . . . . 0.0 112.746 -172.668 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 p -77.95 155.43 30.84 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.913 1.685 . . . . 0.0 112.208 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.32 167.89 10.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 113.277 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -163.38 156.38 18.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.213 1.805 . . . . 0.0 112.607 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -104.76 140.73 37.66 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.448 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.51 117.7 6.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.189 1.796 . . . . 0.0 111.601 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.72 -27.44 64.97 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.877 0.871 . . . . 0.0 112.293 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -164.14 158.16 18.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.506 1.922 . . . . 0.0 111.089 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.95 151.47 46.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.378 . . . . 0.0 112.751 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -155.01 156.21 35.55 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.108 1.763 . . . . 0.0 111.143 -169.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.39 122.37 5.94 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.701 -1.249 . . . . 0.0 109.531 -170.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 127.27 31.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -159.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -81.04 -36.19 30.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.91 2.484 . . . . 0.0 113.672 -171.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -109.61 -31.79 7.35 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.722 1.609 . . . . 0.0 113.172 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 95.1 -3.75 0.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 130.259 3.424 . . . . 0.0 113.06 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.12 -15.5 31.49 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.228 1.011 . . . . 0.0 112.422 162.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.429 ' HA ' ' H ' ' A' ' 49' ' ' TYR . 16.6 p-10 -82.33 168.65 17.34 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.819 2.047 . . . . 0.0 112.492 166.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -113.99 135.1 54.37 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.886 1.674 . . . . 0.0 110.426 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 150.94 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.777 0.831 . . . . 0.0 112.318 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -142.32 171.94 13.37 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 122.88 1.324 . . . . 0.0 113.152 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -149.55 146.29 27.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.054 1.742 . . . . 0.0 108.455 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -48.9 119.51 3.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.199 0.999 . . . . 0.0 113.0 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.55 4.17 90.23 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.625 1.583 . . . . 0.0 115.784 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.5 136.06 55.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.282 2.041 . . . . 0.0 111.537 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -87.55 135.11 33.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.164 0.986 . . . . 0.0 112.433 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -141.17 170.4 15.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.65 1.58 . . . . 0.0 112.486 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -140.02 145.44 37.77 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.41 2.284 . . . . 0.0 108.637 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.06 124.95 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.638 1.175 . . . . 0.0 109.356 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 -36.57 12.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.906 1.682 . . . . 0.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -156.14 136.6 13.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 113.146 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -117.22 -3.39 11.49 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.607 2.763 . . . . 0.0 113.965 -174.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -65.41 -19.6 66.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -164.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.58 -6.72 54.69 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.013 0.824 . . . . 0.0 112.745 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.56 4.35 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.895 2.188 . . . . 0.0 113.994 170.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -89.34 -37.39 14.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.215 1.806 . . . . 0.0 112.671 -171.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -130.54 134.95 47.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.293 1.437 . . . . 0.0 111.173 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -116.73 141.59 48.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.964 1.706 . . . . 0.0 112.121 -171.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -75.83 111.48 11.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.275 1.83 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.64 153.46 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 127.575 2.35 . . . . 0.0 110.273 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -133.01 136.7 46.17 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 125.475 1.51 . . . . 0.0 109.864 161.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -71.8 142.68 49.66 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 123.403 0.681 . . . . 0.0 111.102 167.141 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -94.93 -30.89 13.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.38 1.472 . . . . 0.0 112.433 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 p -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.825 1.65 . . . . 0.0 111.471 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -110.33 -43.16 3.96 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.676 1.99 . . . . 0.0 113.525 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.98 3.05 39.4 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.249 1.404 . . . . 0.0 115.112 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.12 137.73 56.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.009 1.404 . . . . 0.0 110.916 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.0 m -122.79 147.65 46.28 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.086 1.754 . . . . 0.0 109.262 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.16 -151.12 11.7 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.471 1.51 . . . . 0.0 113.675 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' TYR . . . . . 0.429 ' H ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m-85 -113.67 153.4 28.98 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 pt -136.48 153.3 76.05 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 126.642 1.977 . . . . 0.0 110.705 163.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -61.17 135.13 56.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.233 1.955 . . . . 0.0 109.262 163.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -61.65 -35.75 25.14 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.96 -8.1 22.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 CA-C-N 122.614 1.969 . . . . 0.0 113.442 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -50.55 -36.67 35.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.572 1.149 . . . . 0.0 112.759 170.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -120.3 -30.18 4.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.375 1.47 . . . . 0.0 113.64 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.874 1.269 . . . . 0.0 114.097 -172.914 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -175.01 160.93 2.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.466 1.907 . . . . 0.0 110.874 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.81 176.58 6.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.293 1.037 . . . . 0.0 112.968 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -162.84 157.82 21.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.661 2.784 . . . . 0.0 109.945 170.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -117.15 134.01 55.3 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.697 0.799 . . . . 0.0 108.96 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.26 118.11 7.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.43 1.492 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.6 mt -85.04 -4.09 59.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.069 1.348 . . . . 0.0 112.551 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -161.03 173.16 15.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.43 1.492 . . . . 0.0 112.005 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.62 154.14 17.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.891 1.676 . . . . 0.0 112.595 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -159.45 166.03 31.85 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.671 1.588 . . . . 0.0 112.884 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -155.67 120.17 4.66 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.642 1.577 . . . . 0.0 109.635 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 133.61 50.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -94.77 -36.74 11.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.168 1.787 . . . . 0.0 114.574 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -94.04 -37.17 11.77 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.014 1.279 . . . . 0.0 111.508 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 105.21 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 131.239 3.816 . . . . 0.0 111.72 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -88.32 -17.47 30.56 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.058 1.743 . . . . 0.0 112.502 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -80.29 162.79 24.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.434 1.893 . . . . 0.0 112.381 166.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.4 mt -106.63 154.3 21.12 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 125.497 1.519 . . . . 0.0 111.237 -176.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -105.81 149.22 26.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.806 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.0 160.96 40.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 122.633 1.206 . . . . 0.0 113.337 -168.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -123.24 148.47 45.83 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 113.822 -1.536 . . . . 0.0 109.075 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -56.04 123.81 15.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.251 0.548 . . . . 0.0 111.333 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.06 -13.09 45.07 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 117.54 -1.7 . . . . 0.0 115.0 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.8 135.09 56.35 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.359 2.08 . . . . 0.0 110.475 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.19 126.03 40.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.458 1.103 . . . . 0.0 110.52 177.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -112.26 145.84 39.25 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.037 1.735 . . . . 0.0 111.432 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -100.79 131.08 46.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.118 1.767 . . . . 0.0 107.412 161.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.0 117.38 42.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 109.162 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -86.07 -41.42 14.8 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.148 1.779 . . . . 0.0 111.448 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -168.49 143.71 3.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 126.304 1.842 . . . . 0.0 111.75 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 m -95.01 56.31 1.93 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.613 1.673 . . . . 0.0 112.735 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -79.18 -36.37 40.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -139.525 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -107.41 19.27 20.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.653 1.181 . . . . 0.0 111.311 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.41 -34.53 1.34 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.882 2.182 . . . . 0.0 114.427 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.36 -20.98 3.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 112.744 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -120.67 121.46 38.34 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.117 0.967 . . . . 0.0 109.315 167.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -111.85 155.74 23.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.099 0.96 . . . . 0.0 112.362 -171.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.57 123.73 33.91 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 109.598 171.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.85 172.46 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 125.642 1.577 . . . . 0.0 111.684 -170.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -144.26 153.59 42.2 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.349 159.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 t -52.15 123.31 10.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.505 155.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.26 -42.67 83.49 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.196 164.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.9 m -63.73 -38.39 90.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.74 2.016 . . . . 0.0 113.88 -171.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -115.35 -40.08 3.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 112.096 -176.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.29 -1.62 46.85 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.117 1.817 . . . . 0.0 114.516 -171.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.48 134.16 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.107 1.454 . . . . 0.0 110.614 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.2 m -122.98 147.58 46.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.76 2.024 . . . . 0.0 110.006 -165.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.5 -152.5 20.54 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.951 1.263 . . . . 0.0 114.572 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -103.13 169.95 8.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 112.926 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 pp -156.4 156.55 30.28 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 126.232 1.813 . . . . 0.0 110.376 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 112.72 3.6 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.938 2.425 . . . . 0.0 109.339 158.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -47.37 -55.59 15.69 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.424 1.49 . . . . 0.0 113.758 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.96 -19.17 30.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.622 2.214 . . . . 0.0 113.885 -171.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.97 -32.01 11.88 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.587 0.63 . . . . 0.0 112.341 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.68 -43.27 84.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.744 -0.597 . . . . 0.0 111.248 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.091 0 C-N-CA 126.031 1.732 . . . . 0.0 113.483 168.245 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -174.41 165.4 3.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.644 2.378 . . . . 0.0 110.779 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.1 176.88 5.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 112.219 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -164.84 157.37 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 111.608 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -122.74 133.22 54.48 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.537 1.135 . . . . 0.0 109.683 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 118.89 7.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.086 1.754 . . . . 0.0 110.75 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.64 -1.62 58.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.02 1.328 . . . . 0.0 112.999 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -157.74 170.05 23.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.355 1.462 . . . . 0.0 112.373 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.02 150.76 20.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.724 1.609 . . . . 0.0 112.663 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -160.08 166.52 29.71 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.069 1.748 . . . . 0.0 112.523 -173.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -151.41 121.53 7.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 109.765 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.05 133.46 56.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.37 1.468 . . . . 0.0 114.587 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -102.65 -38.22 7.59 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.484 1.514 . . . . 0.0 114.245 -162.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.4 -27.14 19.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.402 1.481 . . . . 0.0 111.594 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 100.68 -20.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 130.844 3.658 . . . . 0.0 111.168 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -92.75 -10.81 35.68 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.648 1.979 . . . . 0.0 112.82 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.16 179.42 7.49 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.905 2.082 . . . . 0.0 112.181 163.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -125.7 147.16 49.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.683 1.193 . . . . 0.0 112.1 -162.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 m -108.48 147.39 31.75 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.786 0.834 . . . . 0.0 112.165 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -155.84 157.8 37.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 122.72 1.248 . . . . 0.0 113.716 -170.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -121.61 152.2 39.55 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.735 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -59.44 123.64 17.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.323 0.582 . . . . 0.0 111.628 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.64 -11.46 42.33 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.736 2.112 . . . . 0.0 115.2 -170.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.82 138.16 50.1 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 120.099 1.95 . . . . 0.0 111.026 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.87 134.99 41.96 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.407 1.083 . . . . 0.0 112.47 -174.581 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.89 150.4 41.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.253 1.821 . . . . 0.0 112.13 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.66 135.5 48.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.344 2.258 . . . . 0.0 108.075 169.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.35 117.88 43.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 124.895 1.278 . . . . 0.0 109.905 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.4 mt -88.39 -32.46 18.34 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.118 1.767 . . . . 0.0 111.174 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -168.65 149.9 4.76 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.709 2.004 . . . . 0.0 113.125 170.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 m -99.18 54.04 0.97 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.453 2.301 . . . . 0.0 112.833 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -81.1 -46.26 15.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -136.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -111.26 6.03 20.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.673 1.589 . . . . 0.0 110.907 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.55 -56.5 3.77 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 126.831 2.158 . . . . 0.0 113.369 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -81.35 -23.38 37.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.717 2.007 . . . . 0.0 111.998 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -134.33 140.17 46.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.745 1.618 . . . . 0.0 111.539 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -124.92 163.08 23.04 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.57 1.148 . . . . 0.0 113.51 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.18 119.71 35.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.714 1.606 . . . . 0.0 109.592 170.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 m -145.95 174.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.13 -1.396 . . . . 0.0 111.847 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -145.3 156.4 43.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.39 159.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -54.6 125.36 19.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.708 0.766 . . . . 0.0 110.273 155.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.58 -38.42 67.88 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.949 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -63.55 -42.79 98.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.079 2.152 . . . . 0.0 113.832 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -110.42 -37.75 5.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.19 -7.7 40.89 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.546 2.022 . . . . 0.0 113.972 -172.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.68 133.0 48.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.794 1.297 . . . . 0.0 111.672 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -121.02 149.58 42.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.766 2.026 . . . . 0.0 110.985 -158.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.98 -137.22 5.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.68 1.61 . . . . 0.0 113.353 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -117.9 162.49 18.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 112.859 -173.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 pp -148.72 154.5 40.68 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.46 1.904 . . . . 0.0 109.741 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -76.35 122.35 6.52 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 122.542 2.161 . . . . 0.0 108.704 159.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -52.26 -57.45 15.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.471 1.908 . . . . 0.0 113.655 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.82 -12.41 28.62 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.222 1.948 . . . . 0.0 113.192 -172.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -48.21 6.99 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.128 0.971 . . . . 0.0 110.511 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.83 -45.09 59.42 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.053 0.941 . . . . 0.0 111.875 163.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.937 0 C-N-CA 126.356 1.862 . . . . 0.0 113.857 172.866 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -164.31 160.96 21.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.598 1.559 . . . . 0.0 111.954 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.28 167.91 9.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.125 1.77 . . . . 0.0 113.088 -171.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -164.15 154.19 14.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.52 1.928 . . . . 0.0 112.08 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -126.2 133.18 51.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.156 1.382 . . . . 0.0 110.029 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 125.57 27.13 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.76 2.024 . . . . 0.0 112.046 -175.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -86.9 -18.24 31.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -145.43 172.66 12.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.983 1.313 . . . . 0.0 112.866 -170.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.61 149.78 23.39 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.231 1.413 . . . . 0.0 112.748 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -158.09 167.15 30.67 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.914 1.685 . . . . 0.0 113.002 -166.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -151.87 125.61 9.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.759 1.624 . . . . 0.0 108.988 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 127.38 31.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.826 1.65 . . . . 0.0 114.723 -167.39 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -87.25 -36.37 17.98 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.628 1.571 . . . . 0.0 114.434 -166.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -133.08 -10.66 2.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.131 1.372 . . . . 0.0 113.596 -167.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 98.21 -8.96 0.06 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 129.758 3.223 . . . . 0.0 113.374 154.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -79.0 -26.08 43.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.582 2.353 . . . . 0.0 112.379 157.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -82.4 165.52 20.2 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.249 1.82 . . . . 0.0 112.828 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 mt -118.75 147.98 43.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.685 1.594 . . . . 0.0 110.485 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -91.15 142.61 27.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.79 -0.569 . . . . 0.0 111.701 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -140.89 157.85 44.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 122.543 1.163 . . . . 0.0 112.321 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -119.84 159.39 24.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.087 168.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -51.41 122.03 7.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.663 0.785 . . . . 0.0 110.079 171.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.01 -11.14 58.78 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.918 1.723 . . . . 0.0 115.867 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.94 143.24 56.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.842 1.821 . . . . 0.0 110.959 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -112.86 134.84 54.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.61 1.964 . . . . 0.0 111.973 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -130.17 153.75 48.22 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.984 2.113 . . . . 0.0 111.258 -169.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.96 143.71 51.21 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.743 1.217 . . . . 0.0 109.493 160.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.6 mm -101.32 121.74 52.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 125.541 1.536 . . . . 0.0 109.106 -171.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.56 -41.19 14.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.273 1.829 . . . . 0.0 111.581 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -175.93 130.21 0.24 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.639 1.576 . . . . 0.0 111.665 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -121.29 17.1 11.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.628 1.171 . . . . 0.0 113.11 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -60.41 -26.64 66.84 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.14 0.85 57.47 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.758 1.223 . . . . 0.0 113.571 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.32 -49.51 3.82 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 126.843 2.163 . . . . 0.0 116.226 157.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.49 -29.79 12.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.461 1.905 . . . . 0.0 112.857 -172.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.97 127.54 46.1 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.523 1.529 . . . . 0.0 109.093 165.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -107.62 155.18 20.42 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.828 0.851 . . . . 0.0 112.272 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.06 128.22 33.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.353 1.061 . . . . 0.0 109.458 166.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.19 171.93 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 126.397 1.879 . . . . 0.0 112.6 -173.433 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -141.8 140.4 33.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 127.55 2.34 . . . . 0.0 108.501 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -66.85 129.08 38.7 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 123.841 0.856 . . . . 0.0 110.826 165.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.79 -37.68 76.42 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.155 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -67.4 -43.03 82.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.678 1.991 . . . . 0.0 113.754 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -108.44 -40.99 4.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.654 1.181 . . . . 0.0 112.479 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.23 4.26 53.63 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.9 1.714 . . . . 0.0 114.362 -168.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.37 140.74 57.22 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.948 1.374 . . . . 0.0 111.736 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 p -118.45 142.68 47.33 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.844 2.458 . . . . 0.0 111.921 -170.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.36 -151.85 19.19 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.178 1.371 . . . . 0.0 114.659 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -110.81 171.62 7.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.491 1.916 . . . . 0.0 113.55 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -155.07 154.42 28.77 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 127.105 2.162 . . . . 0.0 110.837 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.47 96.41 0.94 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.474 2.783 . . . . 0.0 109.062 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -53.68 -47.24 97.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 127.303 2.241 . . . . 0.0 115.71 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.52 -10.78 27.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.232 1.955 . . . . 0.0 113.091 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -96.83 -46.38 6.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.168 0.987 . . . . 0.0 112.268 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.22 -44.81 71.99 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.159 1.384 . . . . 0.0 111.768 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.847 0 C-N-CA 126.243 1.817 . . . . 0.0 114.124 173.981 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -70.23 152.96 43.64 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.563 2.345 . . . . 0.0 112.072 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.55 168.03 9.53 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.407 1.083 . . . . 0.0 112.891 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.57 160.15 31.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.759 1.623 . . . . 0.0 112.359 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -110.54 143.45 40.89 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.87 0.868 . . . . 0.0 109.491 168.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.16 115.99 4.22 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.312 1.845 . . . . 0.0 112.089 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.65 -36.13 80.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.41 0.684 . . . . 0.0 111.866 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -158.24 158.19 34.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.634 1.574 . . . . 0.0 111.547 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.71 149.02 49.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.64 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -156.15 155.64 32.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.291 1.436 . . . . 0.0 111.934 -169.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -159.18 127.51 5.12 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.119 -0.988 . . . . 0.0 110.948 -171.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.83 121.32 11.43 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -156.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -83.04 -41.91 18.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.064 1.745 . . . . 0.0 113.563 -172.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -96.61 -32.64 12.13 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.488 1.515 . . . . 0.0 111.862 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 98.43 -9.33 0.05 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 131.377 3.871 . . . . 0.0 112.334 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.86 -17.02 42.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.395 1.478 . . . . 0.0 112.531 167.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.92 167.97 12.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.932 2.493 . . . . 0.0 113.821 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -114.93 148.33 38.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.959 2.103 . . . . 0.0 111.191 -167.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -117.28 151.67 36.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -147.64 167.74 23.82 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.996 1.379 . . . . 0.0 113.866 -166.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -132.54 144.49 50.45 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.434 2.294 . . . . 0.0 107.522 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -52.26 129.37 27.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.158 0.98 . . . . 0.0 112.276 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.52 83.64 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.118 1.818 . . . . 0.0 115.85 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.66 144.09 56.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.686 2.243 . . . . 0.0 111.767 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.01 130.14 50.0 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 112.148 -169.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.64 165.59 27.06 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.61 1.564 . . . . 0.0 112.347 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -133.51 139.49 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.802 2.041 . . . . 0.0 108.655 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.9 mm -85.86 131.04 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.29 -30.51 11.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.086 1.754 . . . . 0.0 111.979 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -152.67 130.02 11.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.35 1.46 . . . . 0.0 111.842 174.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.9 p -114.27 -6.02 12.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.945 2.098 . . . . 0.0 113.512 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.9 m -88.32 -3.42 58.85 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.135 -1.603 . . . . 0.0 114.477 -161.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.99 -14.62 62.79 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 121.727 -0.608 . . . . 0.0 111.971 157.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.79 -51.56 4.31 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 127.405 2.431 . . . . 0.0 114.727 166.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.9 -43.87 14.84 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 111.945 -175.373 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -127.7 140.31 52.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.133 1.373 . . . . 0.0 111.099 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 47.6 m0 -114.81 140.21 49.11 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.958 1.703 . . . . 0.0 111.458 -173.265 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.54 123.76 26.04 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.978 1.311 . . . . 0.0 109.367 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.38 155.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 126.442 1.897 . . . . 0.0 110.168 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -129.52 137.58 50.87 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 124.721 1.208 . . . . 0.0 109.779 158.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -71.35 146.89 48.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 159.647 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -97.75 -28.46 13.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.119 1.367 . . . . 0.0 112.154 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.7 p -67.3 -44.48 79.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.528 1.931 . . . . 0.0 111.59 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -117.74 -6.77 11.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.217 2.607 . . . . 0.0 113.807 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.76 -0.77 56.05 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.912 1.244 . . . . 0.0 115.971 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.27 128.85 37.53 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.005 1.403 . . . . 0.0 111.734 -172.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -113.92 146.51 39.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.845 1.658 . . . . 0.0 109.649 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.31 -142.35 7.13 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 125.698 1.618 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -124.22 150.27 45.45 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.5 pt -131.45 149.9 74.87 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.634 1.574 . . . . 0.0 111.487 165.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 135.34 37.27 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.503 2.135 . . . . 0.0 108.32 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 p -60.08 -37.46 48.76 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.81 -11.59 32.27 Favored 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 122.77 2.025 . . . . 0.0 113.042 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -48.95 -38.02 21.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.658 1.183 . . . . 0.0 112.647 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -121.82 -25.1 5.09 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.112 1.365 . . . . 0.0 114.161 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -174.73 171.95 3.1 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.845 2.458 . . . . 0.0 110.731 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -107.69 173.75 6.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.662 1.985 . . . . 0.0 112.2 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -158.23 157.93 33.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.445 1.898 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -125.74 130.59 51.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.248 1.019 . . . . 0.0 109.985 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.67 122.29 16.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.276 1.83 . . . . 0.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 mt -94.33 6.09 49.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.787 1.635 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.22 166.62 27.48 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.943 1.697 . . . . 0.0 111.234 -170.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -96.12 148.41 22.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.054 1.342 . . . . 0.0 112.787 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.14 167.35 30.08 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.036 1.734 . . . . 0.0 113.097 -173.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.29 120.63 3.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.462 1.505 . . . . 0.0 109.421 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.13 39.66 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -160.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -90.92 -31.7 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.356 1.463 . . . . 0.0 114.293 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -94.96 -34.02 12.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.36 1.436 . . . . 0.0 112.113 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 109.21 -23.43 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 131.28 3.832 . . . . 0.0 111.192 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.72 -18.18 30.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.489 1.916 . . . . 0.0 113.048 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.71 165.41 25.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.658 1.583 . . . . 0.0 111.981 163.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -106.38 141.75 37.18 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 124.782 1.233 . . . . 0.0 111.244 -170.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -96.74 140.81 30.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.009 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -149.37 159.27 44.43 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 122.843 1.306 . . . . 0.0 113.44 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -126.48 152.98 45.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.996 1.318 . . . . 0.0 109.19 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -57.91 125.73 24.37 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.377 0.608 . . . . 0.0 111.343 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.3 -11.1 58.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.106 1.812 . . . . 0.0 114.88 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.9 134.92 50.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.393 2.097 . . . . 0.0 111.409 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.87 140.0 33.7 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.768 1.227 . . . . 0.0 112.248 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.93 152.57 48.41 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.927 2.091 . . . . 0.0 112.357 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -114.59 133.24 55.97 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.398 2.279 . . . . 0.0 108.605 164.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.4 mm -104.61 122.12 57.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.527 1.531 . . . . 0.0 110.051 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.88 -36.2 9.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.768 2.027 . . . . 0.0 112.836 -169.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -172.48 141.8 1.2 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.053 1.741 . . . . 0.0 113.432 170.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -83.8 50.81 1.89 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.294 1.837 . . . . 0.0 113.877 -177.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -75.7 -29.83 59.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -150.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -107.64 5.33 26.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 111.638 173.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.08 -58.44 3.59 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.702 2.096 . . . . 0.0 113.187 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.03 -31.24 31.07 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.508 1.923 . . . . 0.0 112.532 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -117.89 132.76 56.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.992 1.317 . . . . 0.0 110.037 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.62 152.85 27.16 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.156 0.982 . . . . 0.0 111.859 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.84 131.09 35.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.7 1.2 . . . . 0.0 110.168 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.52 175.42 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.336 1.855 . . . . 0.0 112.205 -167.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -141.31 157.88 44.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.024 151.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -54.04 135.29 43.28 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 123.858 0.863 . . . . 0.0 111.193 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.07 -37.59 23.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.486 0.714 . . . . 0.0 111.515 165.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.0 m -63.49 -41.42 98.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.5 1.92 . . . . 0.0 114.007 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.8 p -110.86 -38.2 5.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.336 1.454 . . . . 0.0 112.127 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.97 -6.78 37.53 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.825 1.679 . . . . 0.0 114.635 -172.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.76 130.95 49.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.837 1.318 . . . . 0.0 111.524 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -112.9 141.83 46.27 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.345 1.858 . . . . 0.0 110.661 -165.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.58 -138.19 5.02 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.457 1.503 . . . . 0.0 113.956 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -119.58 170.2 9.39 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.508 1.523 . . . . 0.0 113.478 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 pp -150.61 157.27 36.4 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.164 1.786 . . . . 0.0 110.837 167.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.4 108.1 2.28 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.425 2.75 . . . . 0.0 109.572 164.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -49.68 -52.35 51.72 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.779 1.632 . . . . 0.0 114.971 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -72.66 -13.4 27.16 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 122.0 1.8 . . . . 0.0 114.022 -174.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -100.85 -36.21 9.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.848 0.859 . . . . 0.0 111.666 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.1 tp -47.25 -43.45 21.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.0 1.32 . . . . 0.0 111.614 159.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 126.443 1.897 . . . . 0.0 114.223 175.329 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -169.4 163.18 10.53 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.341 1.456 . . . . 0.0 112.887 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -101.15 167.15 10.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.504 1.922 . . . . 0.0 111.973 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -166.68 149.56 6.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.198 1.799 . . . . 0.0 111.166 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -113.07 135.83 53.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.345 -0.847 . . . . 0.0 109.566 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.61 116.23 3.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.034 1.734 . . . . 0.0 110.305 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.04 -11.16 58.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.776 1.631 . . . . 0.0 112.675 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -157.94 169.93 23.46 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.868 1.267 . . . . 0.0 112.485 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.89 153.39 20.24 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.824 1.25 . . . . 0.0 112.806 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -158.76 167.41 29.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.051 1.74 . . . . 0.0 112.479 -173.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 118.12 5.08 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.508 1.123 . . . . 0.0 111.229 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 136.55 56.91 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.459 1.904 . . . . 0.0 115.245 -168.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -96.66 -39.29 9.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.912 1.685 . . . . 0.0 113.713 -166.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -98.08 -31.95 11.87 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.489 1.515 . . . . 0.0 111.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 95.1 -9.19 0.1 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.841 3.257 . . . . 0.0 111.851 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.1 -16.42 33.57 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.493 1.517 . . . . 0.0 112.121 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.07 166.8 17.39 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.742 2.017 . . . . 0.0 112.18 164.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.1 mt -115.79 151.87 34.38 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.822 1.649 . . . . 0.0 111.879 -169.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 151.53 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.611 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -159.67 165.7 32.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 122.751 1.262 . . . . 0.0 113.453 -166.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.87 149.91 46.68 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.786 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -54.07 113.21 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.022 0.529 . . . . 0.0 111.354 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.52 16.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.802 1.668 . . . . 0.0 115.219 -171.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.92 138.92 52.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.832 1.816 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.66 136.67 40.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.866 1.267 . . . . 0.0 112.041 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.31 150.51 45.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.198 2.199 . . . . 0.0 112.203 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -116.26 131.42 56.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.223 2.209 . . . . 0.0 107.454 168.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.49 109.1 26.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 125.435 1.494 . . . . 0.0 108.168 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.47 -37.38 25.45 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.343 1.457 . . . . 0.0 111.205 -171.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -169.04 144.35 3.24 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.939 1.696 . . . . 0.0 113.325 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -93.35 55.78 2.33 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.186 1.47 . . . . 0.0 112.889 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -77.73 -32.64 52.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -150.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -118.06 4.12 12.07 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.868 1.267 . . . . 0.0 111.205 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -56.2 2.6 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 127.39 2.424 . . . . 0.0 114.436 171.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -77.14 -33.23 56.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.999 2.12 . . . . 0.0 111.195 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -121.73 132.88 54.87 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.129 1.371 . . . . 0.0 111.206 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -111.47 152.55 27.31 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.902 1.281 . . . . 0.0 112.535 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.49 117.29 29.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.652 1.181 . . . . 0.0 109.024 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.5 172.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 125.364 1.465 . . . . 0.0 111.293 -162.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -145.52 153.96 41.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.748 162.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -53.68 126.32 21.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.12 156.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 tp -71.15 -38.83 72.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.461 0.704 . . . . 0.0 110.578 167.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 m -60.79 -43.51 98.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.449 2.3 . . . . 0.0 114.729 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.7 p -111.93 -36.07 5.51 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.917 1.287 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.27 -3.09 56.59 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.76 1.647 . . . . 0.0 113.899 -168.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.35 124.5 20.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.777 1.289 . . . . 0.0 110.157 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.3 m -112.93 146.87 38.22 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.311 1.844 . . . . 0.0 109.999 -166.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.98 -141.01 6.62 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.629 1.585 . . . . 0.0 113.661 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.35 164.97 14.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.121 1.368 . . . . 0.0 113.524 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.49 154.47 38.33 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.071 2.148 . . . . 0.0 108.6 166.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.13 124.07 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.386 2.057 . . . . 0.0 108.218 161.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.6 p -60.05 -36.57 39.57 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.61 -19.53 48.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 122.08 1.779 . . . . 0.0 114.001 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -92.22 -46.8 7.55 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.856 0.863 . . . . 0.0 111.893 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.8 tp -49.67 -46.06 49.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.126 0.57 . . . . 0.0 110.934 168.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.977 0 C-N-CA 125.518 1.527 . . . . 0.0 113.59 175.82 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 t -170.93 165.17 7.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.216 1.407 . . . . 0.0 113.502 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -96.08 154.33 17.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.644 2.778 . . . . 0.0 112.057 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -163.79 147.66 10.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.334 1.054 . . . . 0.0 112.162 -166.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -103.64 147.46 27.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.499 1.12 . . . . 0.0 110.31 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.64 110.27 9.9 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 109.788 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.18 5.93 44.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.599 1.56 . . . . 0.0 113.341 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -166.67 157.75 12.54 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.862 2.065 . . . . 0.0 110.282 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.21 150.07 24.64 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -153.52 163.87 39.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.517 1.127 . . . . 0.0 112.982 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.76 123.99 3.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.068 1.347 . . . . 0.0 109.958 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.19 13.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.903 2.081 . . . . 0.0 115.531 -165.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -83.42 -35.32 25.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 113.531 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -114.38 -166.01 1.06 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.221 1.809 . . . . 0.0 109.252 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -81.11 -8.94 59.87 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.198 2.199 . . . . 0.0 114.248 170.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.39 -30.74 9.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.22 1.408 . . . . 0.0 114.698 -167.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -88.03 156.76 19.14 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.371 1.468 . . . . 0.0 113.214 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -98.8 140.79 32.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.243 1.017 . . . . 0.0 112.967 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -90.03 153.87 20.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.74 0.816 . . . . 0.0 112.497 166.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -163.3 -162.63 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.276 1.431 . . . . 0.0 112.034 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -147.78 157.22 43.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.395 1.478 . . . . 0.0 109.936 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -61.77 118.07 6.68 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.727 -0.608 . . . . 0.0 110.095 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 -10.67 36.86 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.709 2.1 . . . . 0.0 114.286 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.45 151.39 46.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.73 1.765 . . . . 0.0 111.313 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -108.97 136.86 47.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.007 0.923 . . . . 0.0 111.502 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -134.59 147.08 50.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.848 1.659 . . . . 0.0 112.894 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.2 130.07 50.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.095 2.158 . . . . 0.0 108.081 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mm -97.59 112.07 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.188 1.395 . . . . 0.0 108.505 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -76.31 -48.86 18.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.203 1.401 . . . . 0.0 109.585 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -166.67 151.83 7.86 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.447 1.899 . . . . 0.0 112.479 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 m -97.59 45.93 1.03 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.071 2.148 . . . . 0.0 112.618 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -82.42 -24.86 34.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -137.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -107.76 8.44 28.85 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.491 1.516 . . . . 0.0 110.893 172.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.44 -68.81 2.07 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 127.244 2.354 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.11 -34.57 71.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.475 1.91 . . . . 0.0 111.427 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -113.4 145.22 41.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.107 1.763 . . . . 0.0 111.195 170.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -119.2 164.08 16.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.258 1.823 . . . . 0.0 112.202 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -102.34 120.38 40.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.196 1.798 . . . . 0.0 108.378 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.81 173.71 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.761 1.224 . . . . 0.0 112.042 -170.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -143.17 134.32 25.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 127.291 2.237 . . . . 0.0 109.776 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -79.61 141.43 36.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.137 0.97 . . . . 0.0 112.185 171.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -87.53 8.66 23.99 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.54 1.936 . . . . 0.0 113.721 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -78.2 -51.44 10.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.093 1.357 . . . . 0.0 110.317 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -121.14 -29.52 4.52 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.989 2.115 . . . . 0.0 113.812 -170.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.98 67.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.587 1.565 . . . . 0.0 113.937 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.55 137.22 58.19 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 111.026 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -124.42 147.47 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.726 2.01 . . . . 0.0 110.54 -164.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.63 -156.57 28.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.494 1.521 . . . . 0.0 113.373 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -100.62 150.75 22.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.91 0.884 . . . . 0.0 113.146 -175.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 pp -140.12 154.14 69.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 125.69 1.596 . . . . 0.0 110.454 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.46 121.37 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.67 2.247 . . . . 0.0 108.137 167.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 p -54.38 -40.13 80.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.328 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -70.43 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 123.18 2.171 . . . . 0.0 113.449 -172.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -118.9 3.93 11.51 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.561 . . . . 0.0 112.663 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -97.53 -44.87 6.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.903 0.481 . . . . 0.0 110.845 154.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 127.274 2.23 . . . . 0.0 114.349 179.316 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -170.28 158.56 6.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.032 2.133 . . . . 0.0 110.448 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.21 174.58 8.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.104 1.362 . . . . 0.0 112.046 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -166.55 142.69 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.357 1.863 . . . . 0.0 111.175 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -117.59 130.5 56.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.325 1.05 . . . . 0.0 109.701 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 127.58 31.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.169 1.388 . . . . 0.0 110.761 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.93 -17.34 47.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -144.01 170.01 16.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.946 1.299 . . . . 0.0 112.784 -170.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -90.2 148.89 22.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.015 0.926 . . . . 0.0 111.651 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.35 165.68 35.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.844 1.658 . . . . 0.0 113.032 -166.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.69 121.87 7.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.975 1.31 . . . . 0.0 110.498 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 139.94 50.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.889 1.675 . . . . 0.0 114.379 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -97.08 -31.06 12.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.68 1.592 . . . . 0.0 113.859 -167.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -113.78 -146.71 0.41 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.907 2.083 . . . . 0.0 109.53 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -110.88 -1.49 16.46 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.632 1.973 . . . . 0.0 112.138 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -126.64 -19.68 4.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.696 1.598 . . . . 0.0 114.511 -169.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -84.78 169.66 13.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.572 0.749 . . . . 0.0 111.957 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 148.11 50.04 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.476 1.11 . . . . 0.0 111.501 -162.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -100.15 150.04 22.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.852 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -152.54 167.3 29.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 123.166 1.46 . . . . 0.0 112.594 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.35 160.63 26.34 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.219 1.408 . . . . 0.0 107.328 166.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -50.95 130.27 25.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.749 0.82 . . . . 0.0 111.162 171.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.4 78.4 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.556 1.551 . . . . 0.0 114.776 -174.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.33 143.59 55.12 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.916 1.858 . . . . 0.0 110.947 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -118.99 126.29 51.38 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.953 0.882 . . . . 0.0 112.623 -160.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.84 170.31 11.18 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.352 1.861 . . . . 0.0 110.811 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -126.17 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.601 1.96 . . . . 0.0 108.726 166.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 mm -97.88 112.47 30.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 124.523 1.129 . . . . 0.0 108.553 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.0 -43.18 35.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.042 1.337 . . . . 0.0 110.205 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -166.58 149.55 6.87 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.118 1.767 . . . . 0.0 112.651 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -93.86 48.2 1.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.385 2.274 . . . . 0.0 112.884 -172.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -76.38 -50.44 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -138.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -90.32 -2.93 58.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.125 0.97 . . . . 0.0 110.877 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.7 -49.05 1.65 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.533 2.492 . . . . 0.0 113.095 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.99 -26.02 27.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.998 2.519 . . . . 0.0 112.502 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -132.76 118.2 18.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.244 1.418 . . . . 0.0 110.128 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -98.35 148.65 23.45 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.126 0.97 . . . . 0.0 112.759 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.15 114.85 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 166.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 m -125.87 172.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 125.938 1.695 . . . . 0.0 111.126 -176.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -144.9 136.1 25.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.553 1.941 . . . . 0.0 107.417 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -67.51 143.51 56.14 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.407 -1.433 . . . . 0.0 111.019 173.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 tp -78.44 -41.07 33.87 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.366 -0.834 . . . . 0.0 111.186 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -53.81 -45.71 70.87 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.461 2.305 . . . . 0.0 113.513 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -121.29 -39.09 2.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.211 1.404 . . . . 0.0 114.315 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.2 23.77 23.83 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.672 1.13 . . . . 0.0 114.185 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.1 134.98 42.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.704 1.201 . . . . 0.0 109.501 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.1 m -106.97 149.69 27.26 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.258 1.423 . . . . 0.0 110.212 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.02 -151.45 19.9 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 124.808 1.194 . . . . 0.0 113.72 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.38 169.83 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.043 1.737 . . . . 0.0 113.075 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -156.5 156.74 30.47 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 127.035 2.134 . . . . 0.0 109.545 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.44 101.85 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.246 2.631 . . . . 0.0 109.965 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 m -58.66 -42.77 96.13 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.379 1.872 . . . . 0.0 114.467 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -62.2 -22.97 75.03 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 123.163 2.575 . . . . 0.0 115.192 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -101.95 -37.19 8.33 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.866 0.866 . . . . 0.0 112.811 -174.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.06 -46.61 65.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 110.912 168.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 127.008 2.123 . . . . 0.0 114.338 176.103 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.8 p -64.83 141.04 58.91 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 127.42 2.288 . . . . 0.0 111.459 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.19 169.37 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.935 0.894 . . . . 0.0 112.565 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -165.96 156.47 12.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.665 2.386 . . . . 0.0 110.467 171.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -106.53 147.56 29.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.69 0.796 . . . . 0.0 110.533 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.27 7.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.249 1.419 . . . . 0.0 111.263 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.83 -26.58 54.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.487 1.515 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -161.03 155.4 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.38 1.872 . . . . 0.0 111.644 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.04 152.27 43.71 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.689 1.195 . . . . 0.0 112.435 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -156.48 159.58 38.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.493 1.517 . . . . 0.0 111.473 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -155.29 121.11 5.08 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.679 1.192 . . . . 0.0 109.168 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.89 121.54 10.78 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.732 1.613 . . . . 0.0 114.618 -159.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -77.02 -23.82 52.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.001 1.72 . . . . 0.0 113.525 -170.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -110.89 -33.35 6.54 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.6 1.56 . . . . 0.0 112.431 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 96.34 -7.78 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 130.679 3.592 . . . . 0.0 112.588 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -81.56 -22.92 37.5 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.911 1.285 . . . . 0.0 112.101 164.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.3 167.4 20.97 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.033 2.133 . . . . 0.0 112.511 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 tp -111.61 127.46 55.75 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 125.457 1.503 . . . . 0.0 111.085 -170.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -82.91 150.69 26.33 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.284 1.834 . . . . 0.0 112.563 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.52 160.84 39.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.409 1.1 . . . . 0.0 112.693 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -122.79 145.93 47.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.268 1.827 . . . . 0.0 108.011 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -50.28 133.95 23.41 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.899 0.856 . . . . 0.0 112.313 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.4 -3.31 54.41 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.165 -1.353 . . . . 0.0 115.7 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.14 143.78 57.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.931 1.866 . . . . 0.0 110.536 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.72 140.23 39.09 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.519 0.728 . . . . 0.0 111.407 -174.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -141.43 165.33 27.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.952 1.301 . . . . 0.0 112.269 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -125.61 137.9 53.91 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.587 2.355 . . . . 0.0 108.538 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.81 125.91 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.481 0.713 . . . . 0.0 109.118 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -93.76 -35.47 12.76 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.088 2.155 . . . . 0.0 111.971 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -157.84 129.76 6.97 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.965 1.306 . . . . 0.0 112.733 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 13.1 p -115.04 -3.91 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.911 2.485 . . . . 0.0 113.87 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 m -69.07 -14.87 63.27 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.308 -1.495 . . . . 0.0 114.259 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.9 -14.61 61.51 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.704 0.802 . . . . 0.0 112.85 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.97 -51.58 3.52 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 127.379 2.419 . . . . 0.0 115.33 165.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.93 -42.23 10.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.166 1.786 . . . . 0.0 111.662 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -119.23 131.82 55.85 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.781 1.632 . . . . 0.0 110.603 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 49.8 m0 -115.8 144.89 43.36 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.172 1.389 . . . . 0.0 111.881 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.48 126.27 32.6 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.608 1.563 . . . . 0.0 110.06 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.85 156.45 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 126.323 1.849 . . . . 0.0 110.561 -170.468 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -133.83 137.23 44.93 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.552 1.141 . . . . 0.0 110.303 157.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -72.01 145.52 48.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.937 0.875 . . . . 0.0 110.594 163.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.61 -29.85 11.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.752 2.021 . . . . 0.0 112.224 -171.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 p -62.7 -45.94 90.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.98 2.512 . . . . 0.0 111.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -122.23 -4.11 8.95 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.929 2.492 . . . . 0.0 114.013 -172.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.92 1.28 58.86 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.479 1.352 . . . . 0.0 116.479 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.71 135.38 48.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.526 1.663 . . . . 0.0 112.307 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 m -117.18 150.37 38.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.877 1.671 . . . . 0.0 110.667 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.19 -148.69 9.7 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.789 1.185 . . . . 0.0 113.659 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -118.98 149.53 41.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.26 1.424 . . . . 0.0 112.49 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.47 146.85 61.0 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.652 1.181 . . . . 0.0 111.781 169.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.64 131.8 27.06 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.763 2.309 . . . . 0.0 108.635 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.5 p -58.74 -36.42 43.03 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -9.06 23.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 CA-C-N 122.686 1.995 . . . . 0.0 112.746 -172.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -42.12 -45.84 4.12 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.782 166.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -119.4 -23.13 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.768 1.627 . . . . 0.0 113.841 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 178.217 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 p -77.95 155.43 30.84 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.913 1.685 . . . . 0.0 112.208 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.32 167.89 10.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 113.277 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -163.38 156.38 18.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.213 1.805 . . . . 0.0 112.607 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -104.76 140.73 37.66 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.448 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.51 117.7 6.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.189 1.796 . . . . 0.0 111.601 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.72 -27.44 64.97 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.877 0.871 . . . . 0.0 112.293 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -164.14 158.16 18.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.506 1.922 . . . . 0.0 111.089 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.95 151.47 46.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.378 . . . . 0.0 112.751 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -155.01 156.21 35.55 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.108 1.763 . . . . 0.0 111.143 -169.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.39 122.37 5.94 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.701 -1.249 . . . . 0.0 109.531 -170.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 127.27 31.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -159.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -81.04 -36.19 30.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.91 2.484 . . . . 0.0 113.672 -171.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -109.61 -31.79 7.35 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.722 1.609 . . . . 0.0 113.172 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 95.1 -3.75 0.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 130.259 3.424 . . . . 0.0 113.06 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.12 -15.5 31.49 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.228 1.011 . . . . 0.0 112.422 162.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.429 ' HA ' ' H ' ' A' ' 49' ' ' TYR . 16.6 p-10 -82.33 168.65 17.34 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.819 2.047 . . . . 0.0 112.492 166.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -113.99 135.1 54.37 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.886 1.674 . . . . 0.0 110.426 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 150.94 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.777 0.831 . . . . 0.0 112.318 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -142.32 171.94 13.37 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 122.88 1.324 . . . . 0.0 113.152 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -149.55 146.29 27.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.054 1.742 . . . . 0.0 108.455 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -48.9 119.51 3.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.199 0.999 . . . . 0.0 113.0 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.55 4.17 90.23 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.625 1.583 . . . . 0.0 115.784 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.5 136.06 55.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.282 2.041 . . . . 0.0 111.537 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -87.55 135.11 33.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.164 0.986 . . . . 0.0 112.433 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -141.17 170.4 15.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.65 1.58 . . . . 0.0 112.486 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -140.02 145.44 37.77 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.41 2.284 . . . . 0.0 108.637 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.06 124.95 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.638 1.175 . . . . 0.0 109.356 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 -36.57 12.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.906 1.682 . . . . 0.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -156.14 136.6 13.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 113.146 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -117.22 -3.39 11.49 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.607 2.763 . . . . 0.0 113.965 -174.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -65.41 -19.6 66.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -164.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.58 -6.72 54.69 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.013 0.824 . . . . 0.0 112.745 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.56 4.35 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.895 2.188 . . . . 0.0 113.994 170.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -89.34 -37.39 14.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.215 1.806 . . . . 0.0 112.671 -171.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -130.54 134.95 47.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.293 1.437 . . . . 0.0 111.173 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -116.73 141.59 48.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.964 1.706 . . . . 0.0 112.121 -171.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -75.83 111.48 11.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.275 1.83 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.64 153.46 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 127.575 2.35 . . . . 0.0 110.273 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -133.01 136.7 46.17 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 125.475 1.51 . . . . 0.0 109.864 161.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -71.8 142.68 49.66 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 123.403 0.681 . . . . 0.0 111.102 167.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -94.93 -30.89 13.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.38 1.472 . . . . 0.0 112.433 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 p -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.825 1.65 . . . . 0.0 111.471 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -110.33 -43.16 3.96 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.676 1.99 . . . . 0.0 113.525 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.98 3.05 39.4 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.249 1.404 . . . . 0.0 115.112 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.12 137.73 56.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.009 1.404 . . . . 0.0 110.916 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.0 m -122.79 147.65 46.28 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.086 1.754 . . . . 0.0 109.262 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.16 -151.12 11.7 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.471 1.51 . . . . 0.0 113.675 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . 0.429 ' H ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m-85 -113.67 153.4 28.98 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 pt -136.48 153.3 76.05 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 126.642 1.977 . . . . 0.0 110.705 163.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -61.17 135.13 56.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.233 1.955 . . . . 0.0 109.262 163.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -61.65 -35.75 25.14 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo . . . . . 0 C--N 1.36 1.171 0 CA-C-N 122.614 1.969 . . . . 0.0 113.442 -178.88 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -175.01 160.93 2.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.466 1.907 . . . . 0.0 110.874 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.81 176.58 6.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.293 1.037 . . . . 0.0 112.968 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -162.84 157.82 21.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.661 2.784 . . . . 0.0 109.945 170.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -117.15 134.01 55.3 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.697 0.799 . . . . 0.0 108.96 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.26 118.11 7.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.43 1.492 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.6 mt -85.04 -4.09 59.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.069 1.348 . . . . 0.0 112.551 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -161.03 173.16 15.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.43 1.492 . . . . 0.0 112.005 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.62 154.14 17.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.891 1.676 . . . . 0.0 112.595 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -159.45 166.03 31.85 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.671 1.588 . . . . 0.0 112.884 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -155.67 120.17 4.66 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.642 1.577 . . . . 0.0 109.635 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 133.61 50.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -94.77 -36.74 11.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.168 1.787 . . . . 0.0 114.574 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -94.04 -37.17 11.77 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.014 1.279 . . . . 0.0 111.508 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 105.21 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 131.239 3.816 . . . . 0.0 111.72 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -88.32 -17.47 30.56 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.058 1.743 . . . . 0.0 112.502 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -80.29 162.79 24.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.434 1.893 . . . . 0.0 112.381 166.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.4 mt -106.63 154.3 21.12 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 125.497 1.519 . . . . 0.0 111.237 -176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -105.81 149.22 26.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.806 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.0 160.96 40.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 122.633 1.206 . . . . 0.0 113.337 -168.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -123.24 148.47 45.83 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 113.822 -1.536 . . . . 0.0 109.075 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -56.04 123.81 15.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.251 0.548 . . . . 0.0 111.333 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.06 -13.09 45.07 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 117.54 -1.7 . . . . 0.0 115.0 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.8 135.09 56.35 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.359 2.08 . . . . 0.0 110.475 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.19 126.03 40.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.458 1.103 . . . . 0.0 110.52 177.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -112.26 145.84 39.25 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.037 1.735 . . . . 0.0 111.432 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -100.79 131.08 46.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.118 1.767 . . . . 0.0 107.412 161.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.0 117.38 42.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 109.162 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -86.07 -41.42 14.8 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.148 1.779 . . . . 0.0 111.448 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -168.49 143.71 3.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 126.304 1.842 . . . . 0.0 111.75 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 m -95.01 56.31 1.93 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.613 1.673 . . . . 0.0 112.735 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -79.18 -36.37 40.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -139.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -107.41 19.27 20.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.653 1.181 . . . . 0.0 111.311 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.41 -34.53 1.34 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.882 2.182 . . . . 0.0 114.427 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.36 -20.98 3.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 112.744 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -120.67 121.46 38.34 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.117 0.967 . . . . 0.0 109.315 167.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -111.85 155.74 23.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.099 0.96 . . . . 0.0 112.362 -171.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.57 123.73 33.91 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 109.598 171.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.85 172.46 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 125.642 1.577 . . . . 0.0 111.684 -170.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -144.26 153.59 42.2 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.349 159.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 t -52.15 123.31 10.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.505 155.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.26 -42.67 83.49 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.196 164.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.9 m -63.73 -38.39 90.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.74 2.016 . . . . 0.0 113.88 -171.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -115.35 -40.08 3.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 112.096 -176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.29 -1.62 46.85 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.117 1.817 . . . . 0.0 114.516 -171.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.48 134.16 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.107 1.454 . . . . 0.0 110.614 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.2 m -122.98 147.58 46.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.76 2.024 . . . . 0.0 110.006 -165.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.5 -152.5 20.54 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.951 1.263 . . . . 0.0 114.572 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -103.13 169.95 8.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 112.926 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 pp -156.4 156.55 30.28 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 126.232 1.813 . . . . 0.0 110.376 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 112.72 3.6 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.938 2.425 . . . . 0.0 109.339 158.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -47.37 -55.59 15.69 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.424 1.49 . . . . 0.0 113.758 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo . . . . . 0 C--N 1.354 0.864 0 C-N-CA 122.622 2.214 . . . . 0.0 113.885 -171.829 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -174.41 165.4 3.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.644 2.378 . . . . 0.0 110.779 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.1 176.88 5.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 112.219 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -164.84 157.37 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 111.608 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -122.74 133.22 54.48 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.537 1.135 . . . . 0.0 109.683 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 118.89 7.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.086 1.754 . . . . 0.0 110.75 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.64 -1.62 58.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.02 1.328 . . . . 0.0 112.999 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -157.74 170.05 23.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.355 1.462 . . . . 0.0 112.373 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.02 150.76 20.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.724 1.609 . . . . 0.0 112.663 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -160.08 166.52 29.71 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.069 1.748 . . . . 0.0 112.523 -173.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -151.41 121.53 7.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 109.765 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.05 133.46 56.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.37 1.468 . . . . 0.0 114.587 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -102.65 -38.22 7.59 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.484 1.514 . . . . 0.0 114.245 -162.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.4 -27.14 19.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.402 1.481 . . . . 0.0 111.594 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 100.68 -20.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 130.844 3.658 . . . . 0.0 111.168 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -92.75 -10.81 35.68 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.648 1.979 . . . . 0.0 112.82 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.16 179.42 7.49 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.905 2.082 . . . . 0.0 112.181 163.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -125.7 147.16 49.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.683 1.193 . . . . 0.0 112.1 -162.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 m -108.48 147.39 31.75 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.786 0.834 . . . . 0.0 112.165 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -155.84 157.8 37.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 122.72 1.248 . . . . 0.0 113.716 -170.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -121.61 152.2 39.55 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.735 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -59.44 123.64 17.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.323 0.582 . . . . 0.0 111.628 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.64 -11.46 42.33 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.736 2.112 . . . . 0.0 115.2 -170.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.82 138.16 50.1 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 120.099 1.95 . . . . 0.0 111.026 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.87 134.99 41.96 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.407 1.083 . . . . 0.0 112.47 -174.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.89 150.4 41.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.253 1.821 . . . . 0.0 112.13 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.66 135.5 48.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.344 2.258 . . . . 0.0 108.075 169.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.35 117.88 43.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 124.895 1.278 . . . . 0.0 109.905 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.4 mt -88.39 -32.46 18.34 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.118 1.767 . . . . 0.0 111.174 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -168.65 149.9 4.76 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.709 2.004 . . . . 0.0 113.125 170.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 m -99.18 54.04 0.97 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.453 2.301 . . . . 0.0 112.833 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -81.1 -46.26 15.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -136.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -111.26 6.03 20.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.673 1.589 . . . . 0.0 110.907 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.55 -56.5 3.77 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 126.831 2.158 . . . . 0.0 113.369 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -81.35 -23.38 37.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.717 2.007 . . . . 0.0 111.998 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -134.33 140.17 46.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.745 1.618 . . . . 0.0 111.539 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -124.92 163.08 23.04 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.57 1.148 . . . . 0.0 113.51 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.18 119.71 35.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.714 1.606 . . . . 0.0 109.592 170.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 m -145.95 174.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.13 -1.396 . . . . 0.0 111.847 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -145.3 156.4 43.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.39 159.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -54.6 125.36 19.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.708 0.766 . . . . 0.0 110.273 155.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.58 -38.42 67.88 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.949 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -63.55 -42.79 98.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.079 2.152 . . . . 0.0 113.832 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -110.42 -37.75 5.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.19 -7.7 40.89 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.546 2.022 . . . . 0.0 113.972 -172.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.68 133.0 48.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.794 1.297 . . . . 0.0 111.672 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -121.02 149.58 42.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.766 2.026 . . . . 0.0 110.985 -158.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.98 -137.22 5.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.68 1.61 . . . . 0.0 113.353 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -117.9 162.49 18.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 112.859 -173.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 pp -148.72 154.5 40.68 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.46 1.904 . . . . 0.0 109.741 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -76.35 122.35 6.52 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 122.542 2.161 . . . . 0.0 108.704 159.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -52.26 -57.45 15.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.471 1.908 . . . . 0.0 113.655 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo . . . . . 0 C--N 1.356 0.945 0 C-N-CA 122.222 1.948 . . . . 0.0 113.192 -172.71 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -164.31 160.96 21.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.598 1.559 . . . . 0.0 111.954 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.28 167.91 9.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.125 1.77 . . . . 0.0 113.088 -171.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -164.15 154.19 14.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.52 1.928 . . . . 0.0 112.08 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -126.2 133.18 51.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.156 1.382 . . . . 0.0 110.029 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 125.57 27.13 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.76 2.024 . . . . 0.0 112.046 -175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -86.9 -18.24 31.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -145.43 172.66 12.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.983 1.313 . . . . 0.0 112.866 -170.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.61 149.78 23.39 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.231 1.413 . . . . 0.0 112.748 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -158.09 167.15 30.67 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.914 1.685 . . . . 0.0 113.002 -166.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -151.87 125.61 9.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.759 1.624 . . . . 0.0 108.988 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 127.38 31.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.826 1.65 . . . . 0.0 114.723 -167.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -87.25 -36.37 17.98 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.628 1.571 . . . . 0.0 114.434 -166.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -133.08 -10.66 2.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.131 1.372 . . . . 0.0 113.596 -167.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 98.21 -8.96 0.06 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 129.758 3.223 . . . . 0.0 113.374 154.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -79.0 -26.08 43.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.582 2.353 . . . . 0.0 112.379 157.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -82.4 165.52 20.2 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.249 1.82 . . . . 0.0 112.828 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 mt -118.75 147.98 43.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.685 1.594 . . . . 0.0 110.485 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -91.15 142.61 27.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.79 -0.569 . . . . 0.0 111.701 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -140.89 157.85 44.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 122.543 1.163 . . . . 0.0 112.321 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -119.84 159.39 24.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.087 168.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -51.41 122.03 7.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.663 0.785 . . . . 0.0 110.079 171.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.01 -11.14 58.78 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.918 1.723 . . . . 0.0 115.867 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.94 143.24 56.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.842 1.821 . . . . 0.0 110.959 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -112.86 134.84 54.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.61 1.964 . . . . 0.0 111.973 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -130.17 153.75 48.22 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.984 2.113 . . . . 0.0 111.258 -169.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.96 143.71 51.21 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.743 1.217 . . . . 0.0 109.493 160.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.6 mm -101.32 121.74 52.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 125.541 1.536 . . . . 0.0 109.106 -171.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.56 -41.19 14.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.273 1.829 . . . . 0.0 111.581 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -175.93 130.21 0.24 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.639 1.576 . . . . 0.0 111.665 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -121.29 17.1 11.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.628 1.171 . . . . 0.0 113.11 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -60.41 -26.64 66.84 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.14 0.85 57.47 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.758 1.223 . . . . 0.0 113.571 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.32 -49.51 3.82 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 126.843 2.163 . . . . 0.0 116.226 157.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.49 -29.79 12.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.461 1.905 . . . . 0.0 112.857 -172.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.97 127.54 46.1 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.523 1.529 . . . . 0.0 109.093 165.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -107.62 155.18 20.42 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.828 0.851 . . . . 0.0 112.272 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.06 128.22 33.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.353 1.061 . . . . 0.0 109.458 166.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.19 171.93 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 126.397 1.879 . . . . 0.0 112.6 -173.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -141.8 140.4 33.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 127.55 2.34 . . . . 0.0 108.501 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -66.85 129.08 38.7 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 123.841 0.856 . . . . 0.0 110.826 165.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.79 -37.68 76.42 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.155 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -67.4 -43.03 82.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.678 1.991 . . . . 0.0 113.754 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -108.44 -40.99 4.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.654 1.181 . . . . 0.0 112.479 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.23 4.26 53.63 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.9 1.714 . . . . 0.0 114.362 -168.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.37 140.74 57.22 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.948 1.374 . . . . 0.0 111.736 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 p -118.45 142.68 47.33 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.844 2.458 . . . . 0.0 111.921 -170.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.36 -151.85 19.19 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.178 1.371 . . . . 0.0 114.659 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -110.81 171.62 7.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.491 1.916 . . . . 0.0 113.55 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -155.07 154.42 28.77 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 127.105 2.162 . . . . 0.0 110.837 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.47 96.41 0.94 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.474 2.783 . . . . 0.0 109.062 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -53.68 -47.24 97.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 127.303 2.241 . . . . 0.0 115.71 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo . . . . . 0 C--N 1.357 1.008 0 C-N-CA 122.232 1.955 . . . . 0.0 113.091 179.687 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -70.23 152.96 43.64 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.563 2.345 . . . . 0.0 112.072 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.55 168.03 9.53 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.407 1.083 . . . . 0.0 112.891 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.57 160.15 31.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.759 1.623 . . . . 0.0 112.359 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -110.54 143.45 40.89 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.87 0.868 . . . . 0.0 109.491 168.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.16 115.99 4.22 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.312 1.845 . . . . 0.0 112.089 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.65 -36.13 80.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.41 0.684 . . . . 0.0 111.866 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -158.24 158.19 34.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.634 1.574 . . . . 0.0 111.547 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.71 149.02 49.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.64 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -156.15 155.64 32.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.291 1.436 . . . . 0.0 111.934 -169.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -159.18 127.51 5.12 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.119 -0.988 . . . . 0.0 110.948 -171.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.83 121.32 11.43 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -156.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -83.04 -41.91 18.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.064 1.745 . . . . 0.0 113.563 -172.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -96.61 -32.64 12.13 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.488 1.515 . . . . 0.0 111.862 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 98.43 -9.33 0.05 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 131.377 3.871 . . . . 0.0 112.334 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.86 -17.02 42.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.395 1.478 . . . . 0.0 112.531 167.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.92 167.97 12.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.932 2.493 . . . . 0.0 113.821 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -114.93 148.33 38.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.959 2.103 . . . . 0.0 111.191 -167.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -117.28 151.67 36.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -147.64 167.74 23.82 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.996 1.379 . . . . 0.0 113.866 -166.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -132.54 144.49 50.45 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.434 2.294 . . . . 0.0 107.522 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -52.26 129.37 27.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.158 0.98 . . . . 0.0 112.276 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.52 83.64 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.118 1.818 . . . . 0.0 115.85 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.66 144.09 56.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.686 2.243 . . . . 0.0 111.767 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.01 130.14 50.0 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 112.148 -169.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.64 165.59 27.06 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.61 1.564 . . . . 0.0 112.347 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -133.51 139.49 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.802 2.041 . . . . 0.0 108.655 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.9 mm -85.86 131.04 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.29 -30.51 11.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.086 1.754 . . . . 0.0 111.979 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -152.67 130.02 11.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.35 1.46 . . . . 0.0 111.842 174.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.9 p -114.27 -6.02 12.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.945 2.098 . . . . 0.0 113.512 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.9 m -88.32 -3.42 58.85 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.135 -1.603 . . . . 0.0 114.477 -161.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.99 -14.62 62.79 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 121.727 -0.608 . . . . 0.0 111.971 157.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.79 -51.56 4.31 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 127.405 2.431 . . . . 0.0 114.727 166.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.9 -43.87 14.84 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 111.945 -175.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -127.7 140.31 52.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.133 1.373 . . . . 0.0 111.099 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 47.6 m0 -114.81 140.21 49.11 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.958 1.703 . . . . 0.0 111.458 -173.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.54 123.76 26.04 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.978 1.311 . . . . 0.0 109.367 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.38 155.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 126.442 1.897 . . . . 0.0 110.168 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -129.52 137.58 50.87 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 124.721 1.208 . . . . 0.0 109.779 158.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -71.35 146.89 48.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 159.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -97.75 -28.46 13.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.119 1.367 . . . . 0.0 112.154 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.7 p -67.3 -44.48 79.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.528 1.931 . . . . 0.0 111.59 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -117.74 -6.77 11.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.217 2.607 . . . . 0.0 113.807 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.76 -0.77 56.05 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.912 1.244 . . . . 0.0 115.971 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.27 128.85 37.53 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.005 1.403 . . . . 0.0 111.734 -172.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -113.92 146.51 39.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.845 1.658 . . . . 0.0 109.649 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.31 -142.35 7.13 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 125.698 1.618 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -124.22 150.27 45.45 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.5 pt -131.45 149.9 74.87 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.634 1.574 . . . . 0.0 111.487 165.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 135.34 37.27 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.503 2.135 . . . . 0.0 108.32 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 p -60.08 -37.46 48.76 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo . . . . . 0 C--N 1.361 1.217 0 CA-C-N 122.77 2.025 . . . . 0.0 113.042 -177.267 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -174.73 171.95 3.1 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.845 2.458 . . . . 0.0 110.731 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -107.69 173.75 6.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.662 1.985 . . . . 0.0 112.2 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -158.23 157.93 33.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.445 1.898 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -125.74 130.59 51.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.248 1.019 . . . . 0.0 109.985 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.67 122.29 16.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.276 1.83 . . . . 0.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 mt -94.33 6.09 49.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.787 1.635 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.22 166.62 27.48 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.943 1.697 . . . . 0.0 111.234 -170.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -96.12 148.41 22.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.054 1.342 . . . . 0.0 112.787 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.14 167.35 30.08 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.036 1.734 . . . . 0.0 113.097 -173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.29 120.63 3.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.462 1.505 . . . . 0.0 109.421 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.13 39.66 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -160.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -90.92 -31.7 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.356 1.463 . . . . 0.0 114.293 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -94.96 -34.02 12.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.36 1.436 . . . . 0.0 112.113 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 109.21 -23.43 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 131.28 3.832 . . . . 0.0 111.192 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.72 -18.18 30.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.489 1.916 . . . . 0.0 113.048 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.71 165.41 25.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.658 1.583 . . . . 0.0 111.981 163.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -106.38 141.75 37.18 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 124.782 1.233 . . . . 0.0 111.244 -170.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -96.74 140.81 30.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.009 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -149.37 159.27 44.43 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 122.843 1.306 . . . . 0.0 113.44 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -126.48 152.98 45.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.996 1.318 . . . . 0.0 109.19 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -57.91 125.73 24.37 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.377 0.608 . . . . 0.0 111.343 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.3 -11.1 58.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.106 1.812 . . . . 0.0 114.88 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.9 134.92 50.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.393 2.097 . . . . 0.0 111.409 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.87 140.0 33.7 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.768 1.227 . . . . 0.0 112.248 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.93 152.57 48.41 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.927 2.091 . . . . 0.0 112.357 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -114.59 133.24 55.97 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.398 2.279 . . . . 0.0 108.605 164.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.4 mm -104.61 122.12 57.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.527 1.531 . . . . 0.0 110.051 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.88 -36.2 9.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.768 2.027 . . . . 0.0 112.836 -169.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -172.48 141.8 1.2 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.053 1.741 . . . . 0.0 113.432 170.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -83.8 50.81 1.89 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.294 1.837 . . . . 0.0 113.877 -177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -75.7 -29.83 59.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -150.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -107.64 5.33 26.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 111.638 173.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.08 -58.44 3.59 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.702 2.096 . . . . 0.0 113.187 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.03 -31.24 31.07 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.508 1.923 . . . . 0.0 112.532 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -117.89 132.76 56.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.992 1.317 . . . . 0.0 110.037 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.62 152.85 27.16 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.156 0.982 . . . . 0.0 111.859 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.84 131.09 35.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.7 1.2 . . . . 0.0 110.168 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.52 175.42 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.336 1.855 . . . . 0.0 112.205 -167.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -141.31 157.88 44.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.024 151.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -54.04 135.29 43.28 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 123.858 0.863 . . . . 0.0 111.193 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.07 -37.59 23.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.486 0.714 . . . . 0.0 111.515 165.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.0 m -63.49 -41.42 98.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.5 1.92 . . . . 0.0 114.007 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.8 p -110.86 -38.2 5.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.336 1.454 . . . . 0.0 112.127 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.97 -6.78 37.53 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.825 1.679 . . . . 0.0 114.635 -172.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.76 130.95 49.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.837 1.318 . . . . 0.0 111.524 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -112.9 141.83 46.27 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.345 1.858 . . . . 0.0 110.661 -165.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.58 -138.19 5.02 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.457 1.503 . . . . 0.0 113.956 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -119.58 170.2 9.39 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.508 1.523 . . . . 0.0 113.478 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 pp -150.61 157.27 36.4 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.164 1.786 . . . . 0.0 110.837 167.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.4 108.1 2.28 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.425 2.75 . . . . 0.0 109.572 164.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -49.68 -52.35 51.72 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.779 1.632 . . . . 0.0 114.971 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo . . . . . 0 CA--C 1.539 0.749 0 C-N-CA 122.0 1.8 . . . . 0.0 114.022 -174.319 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -169.4 163.18 10.53 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.341 1.456 . . . . 0.0 112.887 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -101.15 167.15 10.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.504 1.922 . . . . 0.0 111.973 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -166.68 149.56 6.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.198 1.799 . . . . 0.0 111.166 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -113.07 135.83 53.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.345 -0.847 . . . . 0.0 109.566 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.61 116.23 3.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.034 1.734 . . . . 0.0 110.305 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.04 -11.16 58.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.776 1.631 . . . . 0.0 112.675 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -157.94 169.93 23.46 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.868 1.267 . . . . 0.0 112.485 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.89 153.39 20.24 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.824 1.25 . . . . 0.0 112.806 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -158.76 167.41 29.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.051 1.74 . . . . 0.0 112.479 -173.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 118.12 5.08 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.508 1.123 . . . . 0.0 111.229 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 136.55 56.91 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.459 1.904 . . . . 0.0 115.245 -168.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -96.66 -39.29 9.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.912 1.685 . . . . 0.0 113.713 -166.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -98.08 -31.95 11.87 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.489 1.515 . . . . 0.0 111.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 95.1 -9.19 0.1 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.841 3.257 . . . . 0.0 111.851 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.1 -16.42 33.57 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.493 1.517 . . . . 0.0 112.121 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.07 166.8 17.39 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.742 2.017 . . . . 0.0 112.18 164.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.1 mt -115.79 151.87 34.38 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.822 1.649 . . . . 0.0 111.879 -169.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 151.53 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.611 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -159.67 165.7 32.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 122.751 1.262 . . . . 0.0 113.453 -166.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.87 149.91 46.68 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.786 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -54.07 113.21 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.022 0.529 . . . . 0.0 111.354 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.52 16.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.802 1.668 . . . . 0.0 115.219 -171.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.92 138.92 52.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.832 1.816 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.66 136.67 40.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.866 1.267 . . . . 0.0 112.041 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.31 150.51 45.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.198 2.199 . . . . 0.0 112.203 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -116.26 131.42 56.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.223 2.209 . . . . 0.0 107.454 168.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.49 109.1 26.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 125.435 1.494 . . . . 0.0 108.168 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.47 -37.38 25.45 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.343 1.457 . . . . 0.0 111.205 -171.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -169.04 144.35 3.24 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.939 1.696 . . . . 0.0 113.325 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -93.35 55.78 2.33 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.186 1.47 . . . . 0.0 112.889 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -77.73 -32.64 52.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -150.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -118.06 4.12 12.07 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.868 1.267 . . . . 0.0 111.205 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -56.2 2.6 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 127.39 2.424 . . . . 0.0 114.436 171.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -77.14 -33.23 56.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.999 2.12 . . . . 0.0 111.195 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -121.73 132.88 54.87 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.129 1.371 . . . . 0.0 111.206 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -111.47 152.55 27.31 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.902 1.281 . . . . 0.0 112.535 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.49 117.29 29.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.652 1.181 . . . . 0.0 109.024 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.5 172.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 125.364 1.465 . . . . 0.0 111.293 -162.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -145.52 153.96 41.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.748 162.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -53.68 126.32 21.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.12 156.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 tp -71.15 -38.83 72.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.461 0.704 . . . . 0.0 110.578 167.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 m -60.79 -43.51 98.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.449 2.3 . . . . 0.0 114.729 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.7 p -111.93 -36.07 5.51 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.917 1.287 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.27 -3.09 56.59 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.76 1.647 . . . . 0.0 113.899 -168.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.35 124.5 20.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.777 1.289 . . . . 0.0 110.157 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.3 m -112.93 146.87 38.22 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.311 1.844 . . . . 0.0 109.999 -166.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.98 -141.01 6.62 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.629 1.585 . . . . 0.0 113.661 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.35 164.97 14.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.121 1.368 . . . . 0.0 113.524 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.49 154.47 38.33 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.071 2.148 . . . . 0.0 108.6 166.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.13 124.07 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.386 2.057 . . . . 0.0 108.218 161.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.6 p -60.05 -36.57 39.57 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo . . . . . 0 C--N 1.359 1.126 0 CA-C-N 122.08 1.779 . . . . 0.0 114.001 -177.777 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 t -170.93 165.17 7.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.216 1.407 . . . . 0.0 113.502 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -96.08 154.33 17.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.644 2.778 . . . . 0.0 112.057 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -163.79 147.66 10.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.334 1.054 . . . . 0.0 112.162 -166.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -103.64 147.46 27.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.499 1.12 . . . . 0.0 110.31 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.64 110.27 9.9 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 109.788 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.18 5.93 44.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.599 1.56 . . . . 0.0 113.341 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -166.67 157.75 12.54 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.862 2.065 . . . . 0.0 110.282 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.21 150.07 24.64 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -153.52 163.87 39.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.517 1.127 . . . . 0.0 112.982 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.76 123.99 3.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.068 1.347 . . . . 0.0 109.958 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.19 13.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.903 2.081 . . . . 0.0 115.531 -165.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -83.42 -35.32 25.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 113.531 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -114.38 -166.01 1.06 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.221 1.809 . . . . 0.0 109.252 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -81.11 -8.94 59.87 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.198 2.199 . . . . 0.0 114.248 170.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.39 -30.74 9.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.22 1.408 . . . . 0.0 114.698 -167.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -88.03 156.76 19.14 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.371 1.468 . . . . 0.0 113.214 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -98.8 140.79 32.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.243 1.017 . . . . 0.0 112.967 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -90.03 153.87 20.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.74 0.816 . . . . 0.0 112.497 166.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -163.3 -162.63 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.276 1.431 . . . . 0.0 112.034 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -147.78 157.22 43.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.395 1.478 . . . . 0.0 109.936 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -61.77 118.07 6.68 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.727 -0.608 . . . . 0.0 110.095 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 -10.67 36.86 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.709 2.1 . . . . 0.0 114.286 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.45 151.39 46.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.73 1.765 . . . . 0.0 111.313 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -108.97 136.86 47.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.007 0.923 . . . . 0.0 111.502 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -134.59 147.08 50.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.848 1.659 . . . . 0.0 112.894 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.2 130.07 50.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.095 2.158 . . . . 0.0 108.081 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mm -97.59 112.07 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.188 1.395 . . . . 0.0 108.505 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -76.31 -48.86 18.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.203 1.401 . . . . 0.0 109.585 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -166.67 151.83 7.86 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.447 1.899 . . . . 0.0 112.479 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 m -97.59 45.93 1.03 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.071 2.148 . . . . 0.0 112.618 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -82.42 -24.86 34.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -137.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -107.76 8.44 28.85 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.491 1.516 . . . . 0.0 110.893 172.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.44 -68.81 2.07 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 127.244 2.354 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.11 -34.57 71.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.475 1.91 . . . . 0.0 111.427 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -113.4 145.22 41.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.107 1.763 . . . . 0.0 111.195 170.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -119.2 164.08 16.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.258 1.823 . . . . 0.0 112.202 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -102.34 120.38 40.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.196 1.798 . . . . 0.0 108.378 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.81 173.71 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.761 1.224 . . . . 0.0 112.042 -170.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -143.17 134.32 25.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 127.291 2.237 . . . . 0.0 109.776 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -79.61 141.43 36.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.137 0.97 . . . . 0.0 112.185 171.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -87.53 8.66 23.99 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.54 1.936 . . . . 0.0 113.721 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -78.2 -51.44 10.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.093 1.357 . . . . 0.0 110.317 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -121.14 -29.52 4.52 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.989 2.115 . . . . 0.0 113.812 -170.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.98 67.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.587 1.565 . . . . 0.0 113.937 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.55 137.22 58.19 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 111.026 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -124.42 147.47 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.726 2.01 . . . . 0.0 110.54 -164.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.63 -156.57 28.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.494 1.521 . . . . 0.0 113.373 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -100.62 150.75 22.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.91 0.884 . . . . 0.0 113.146 -175.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 pp -140.12 154.14 69.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 125.69 1.596 . . . . 0.0 110.454 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.46 121.37 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.67 2.247 . . . . 0.0 108.137 167.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 p -54.38 -40.13 80.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.328 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo . . . . . 0 C--N 1.359 1.097 0 CA-C-N 123.18 2.171 . . . . 0.0 113.449 -172.546 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -170.28 158.56 6.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.032 2.133 . . . . 0.0 110.448 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.21 174.58 8.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.104 1.362 . . . . 0.0 112.046 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -166.55 142.69 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.357 1.863 . . . . 0.0 111.175 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -117.59 130.5 56.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.325 1.05 . . . . 0.0 109.701 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 127.58 31.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.169 1.388 . . . . 0.0 110.761 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.93 -17.34 47.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -144.01 170.01 16.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.946 1.299 . . . . 0.0 112.784 -170.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -90.2 148.89 22.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.015 0.926 . . . . 0.0 111.651 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.35 165.68 35.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.844 1.658 . . . . 0.0 113.032 -166.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.69 121.87 7.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.975 1.31 . . . . 0.0 110.498 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 139.94 50.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.889 1.675 . . . . 0.0 114.379 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -97.08 -31.06 12.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.68 1.592 . . . . 0.0 113.859 -167.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -113.78 -146.71 0.41 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.907 2.083 . . . . 0.0 109.53 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -110.88 -1.49 16.46 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.632 1.973 . . . . 0.0 112.138 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -126.64 -19.68 4.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.696 1.598 . . . . 0.0 114.511 -169.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -84.78 169.66 13.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.572 0.749 . . . . 0.0 111.957 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 148.11 50.04 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.476 1.11 . . . . 0.0 111.501 -162.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -100.15 150.04 22.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.852 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -152.54 167.3 29.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 123.166 1.46 . . . . 0.0 112.594 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.35 160.63 26.34 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.219 1.408 . . . . 0.0 107.328 166.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -50.95 130.27 25.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.749 0.82 . . . . 0.0 111.162 171.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.4 78.4 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.556 1.551 . . . . 0.0 114.776 -174.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.33 143.59 55.12 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.916 1.858 . . . . 0.0 110.947 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -118.99 126.29 51.38 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.953 0.882 . . . . 0.0 112.623 -160.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.84 170.31 11.18 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.352 1.861 . . . . 0.0 110.811 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -126.17 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.601 1.96 . . . . 0.0 108.726 166.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 mm -97.88 112.47 30.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 124.523 1.129 . . . . 0.0 108.553 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.0 -43.18 35.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.042 1.337 . . . . 0.0 110.205 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -166.58 149.55 6.87 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.118 1.767 . . . . 0.0 112.651 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -93.86 48.2 1.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.385 2.274 . . . . 0.0 112.884 -172.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -76.38 -50.44 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -138.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -90.32 -2.93 58.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.125 0.97 . . . . 0.0 110.877 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.7 -49.05 1.65 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.533 2.492 . . . . 0.0 113.095 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.99 -26.02 27.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.998 2.519 . . . . 0.0 112.502 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -132.76 118.2 18.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.244 1.418 . . . . 0.0 110.128 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -98.35 148.65 23.45 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.126 0.97 . . . . 0.0 112.759 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.15 114.85 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 166.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 m -125.87 172.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 125.938 1.695 . . . . 0.0 111.126 -176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -144.9 136.1 25.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.553 1.941 . . . . 0.0 107.417 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -67.51 143.51 56.14 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.407 -1.433 . . . . 0.0 111.019 173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 tp -78.44 -41.07 33.87 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.366 -0.834 . . . . 0.0 111.186 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -53.81 -45.71 70.87 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.461 2.305 . . . . 0.0 113.513 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -121.29 -39.09 2.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.211 1.404 . . . . 0.0 114.315 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.2 23.77 23.83 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.672 1.13 . . . . 0.0 114.185 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.1 134.98 42.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.704 1.201 . . . . 0.0 109.501 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.1 m -106.97 149.69 27.26 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.258 1.423 . . . . 0.0 110.212 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.02 -151.45 19.9 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 124.808 1.194 . . . . 0.0 113.72 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.38 169.83 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.043 1.737 . . . . 0.0 113.075 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -156.5 156.74 30.47 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 127.035 2.134 . . . . 0.0 109.545 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.44 101.85 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.246 2.631 . . . . 0.0 109.965 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 m -58.66 -42.77 96.13 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.379 1.872 . . . . 0.0 114.467 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo . . . . . 0 C--N 1.356 0.964 0 C-N-CA 123.163 2.575 . . . . 0.0 115.192 175.509 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.8 p -64.83 141.04 58.91 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 127.42 2.288 . . . . 0.0 111.459 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.19 169.37 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.935 0.894 . . . . 0.0 112.565 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -165.96 156.47 12.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.665 2.386 . . . . 0.0 110.467 171.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -106.53 147.56 29.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.69 0.796 . . . . 0.0 110.533 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.27 7.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.249 1.419 . . . . 0.0 111.263 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.83 -26.58 54.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.487 1.515 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -161.03 155.4 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.38 1.872 . . . . 0.0 111.644 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.04 152.27 43.71 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.689 1.195 . . . . 0.0 112.435 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -156.48 159.58 38.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.493 1.517 . . . . 0.0 111.473 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -155.29 121.11 5.08 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.679 1.192 . . . . 0.0 109.168 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.89 121.54 10.78 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.732 1.613 . . . . 0.0 114.618 -159.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -77.02 -23.82 52.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.001 1.72 . . . . 0.0 113.525 -170.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -110.89 -33.35 6.54 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.6 1.56 . . . . 0.0 112.431 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 96.34 -7.78 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 130.679 3.592 . . . . 0.0 112.588 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -81.56 -22.92 37.5 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.911 1.285 . . . . 0.0 112.101 164.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.3 167.4 20.97 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.033 2.133 . . . . 0.0 112.511 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 tp -111.61 127.46 55.75 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 125.457 1.503 . . . . 0.0 111.085 -170.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -82.91 150.69 26.33 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.284 1.834 . . . . 0.0 112.563 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.52 160.84 39.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.409 1.1 . . . . 0.0 112.693 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -122.79 145.93 47.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.268 1.827 . . . . 0.0 108.011 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -50.28 133.95 23.41 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.899 0.856 . . . . 0.0 112.313 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.4 -3.31 54.41 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.165 -1.353 . . . . 0.0 115.7 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.14 143.78 57.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.931 1.866 . . . . 0.0 110.536 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.72 140.23 39.09 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.519 0.728 . . . . 0.0 111.407 -174.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -141.43 165.33 27.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.952 1.301 . . . . 0.0 112.269 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -125.61 137.9 53.91 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.587 2.355 . . . . 0.0 108.538 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.81 125.91 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.481 0.713 . . . . 0.0 109.118 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -93.76 -35.47 12.76 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.088 2.155 . . . . 0.0 111.971 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -157.84 129.76 6.97 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.965 1.306 . . . . 0.0 112.733 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 13.1 p -115.04 -3.91 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.911 2.485 . . . . 0.0 113.87 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 m -69.07 -14.87 63.27 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.308 -1.495 . . . . 0.0 114.259 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.9 -14.61 61.51 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.704 0.802 . . . . 0.0 112.85 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.97 -51.58 3.52 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 127.379 2.419 . . . . 0.0 115.33 165.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.93 -42.23 10.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.166 1.786 . . . . 0.0 111.662 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -119.23 131.82 55.85 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.781 1.632 . . . . 0.0 110.603 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 49.8 m0 -115.8 144.89 43.36 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.172 1.389 . . . . 0.0 111.881 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.48 126.27 32.6 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.608 1.563 . . . . 0.0 110.06 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.85 156.45 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 126.323 1.849 . . . . 0.0 110.561 -170.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -133.83 137.23 44.93 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.552 1.141 . . . . 0.0 110.303 157.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -72.01 145.52 48.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.937 0.875 . . . . 0.0 110.594 163.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.61 -29.85 11.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.752 2.021 . . . . 0.0 112.224 -171.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 p -62.7 -45.94 90.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.98 2.512 . . . . 0.0 111.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -122.23 -4.11 8.95 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.929 2.492 . . . . 0.0 114.013 -172.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.92 1.28 58.86 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.479 1.352 . . . . 0.0 116.479 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.71 135.38 48.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.526 1.663 . . . . 0.0 112.307 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 m -117.18 150.37 38.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.877 1.671 . . . . 0.0 110.667 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.19 -148.69 9.7 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.789 1.185 . . . . 0.0 113.659 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -118.98 149.53 41.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.26 1.424 . . . . 0.0 112.49 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.47 146.85 61.0 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.652 1.181 . . . . 0.0 111.781 169.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.64 131.8 27.06 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.763 2.309 . . . . 0.0 108.635 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.5 p -58.74 -36.42 43.03 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo . . . . . 0 C--N 1.359 1.122 0 CA-C-N 122.686 1.995 . . . . 0.0 112.746 -172.668 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.8 p . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 10.7 p -77.95 155.43 30.84 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 125.913 1.685 . . . . 0.0 112.208 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -113.32 167.89 10.19 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.723 1.609 . . . . 0.0 113.277 -177.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -163.38 156.38 18.77 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.213 1.805 . . . . 0.0 112.607 -171.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 -104.76 140.73 37.66 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.068 0.947 . . . . 0.0 110.448 170.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.51 117.7 6.06 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.189 1.796 . . . . 0.0 111.601 176.183 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 72.2 mt -69.72 -27.44 64.97 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.877 0.871 . . . . 0.0 112.293 -177.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 p90 -164.14 158.16 18.89 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 126.506 1.922 . . . . 0.0 111.089 -178.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -65.95 151.47 46.7 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.146 1.378 . . . . 0.0 112.751 -175.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -155.01 156.21 35.55 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 126.108 1.763 . . . . 0.0 111.143 -169.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -154.39 122.37 5.94 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 120.701 -1.249 . . . . 0.0 109.531 -170.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.84 127.27 31.1 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 115.239 1.57 . . . . 0.0 115.239 -159.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.1 mmp_? -81.04 -36.19 30.87 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 127.91 2.484 . . . . 0.0 113.672 -171.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 14.0 p -109.61 -31.79 7.35 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.722 1.609 . . . . 0.0 113.172 177.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 95.1 -3.75 0.08 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 130.259 3.424 . . . . 0.0 113.06 -176.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -90.12 -15.5 31.49 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 124.228 1.011 . . . . 0.0 112.422 162.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.429 ' HA ' ' H ' ' A' ' 49' ' ' TYR . 16.6 p-10 -82.33 168.65 17.34 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.819 2.047 . . . . 0.0 112.492 166.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 29.8 tp -113.99 135.1 54.37 Favored 'General case' 0 N--CA 1.463 0.218 0 C-N-CA 125.886 1.674 . . . . 0.0 110.426 -170.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.2 m -88.75 150.94 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 123.777 0.831 . . . . 0.0 112.318 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -142.32 171.94 13.37 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 122.88 1.324 . . . . 0.0 113.152 -173.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.1 t60 -149.55 146.29 27.28 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 126.054 1.742 . . . . 0.0 108.455 -170.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.9 ptpp? -48.9 119.51 3.23 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 124.199 0.999 . . . . 0.0 113.0 -173.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.55 4.17 90.23 Favored Glycine 0 CA--C 1.535 1.312 0 C-N-CA 125.625 1.583 . . . . 0.0 115.784 178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -66.5 136.06 55.13 Favored 'General case' 0 N--CA 1.469 0.495 0 CA-C-N 120.282 2.041 . . . . 0.0 111.537 173.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -87.55 135.11 33.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.164 0.986 . . . . 0.0 112.433 -178.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -141.17 170.4 15.8 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.65 1.58 . . . . 0.0 112.486 173.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -140.02 145.44 37.77 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.41 2.284 . . . . 0.0 108.637 -176.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 38.2 mm -95.06 124.95 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.448 0 C-N-CA 124.638 1.175 . . . . 0.0 109.356 178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 82.3 mt -92.65 -36.57 12.89 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.906 1.682 . . . . 0.0 111.96 174.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.5 t30 -156.14 136.6 13.14 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 125.119 1.368 . . . . 0.0 113.146 175.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.3 p -117.22 -3.39 11.49 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 128.607 2.763 . . . . 0.0 113.965 -174.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 18.2 m -65.41 -19.6 66.01 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 115.301 1.593 . . . . 0.0 115.301 -164.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -77.58 -6.72 54.69 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 119.013 0.824 . . . . 0.0 112.745 178.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 79.24 -55.56 4.35 Favored Glycine 0 CA--C 1.529 0.949 0 C-N-CA 126.895 2.188 . . . . 0.0 113.994 170.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -89.34 -37.39 14.92 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 126.215 1.806 . . . . 0.0 112.671 -171.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 60.1 m95 -130.54 134.95 47.44 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.293 1.437 . . . . 0.0 111.173 174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 43.4 m0 -116.73 141.59 48.01 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.964 1.706 . . . . 0.0 112.121 -171.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -75.83 111.48 11.23 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 126.275 1.83 . . . . 0.0 109.651 174.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -118.64 153.46 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 127.575 2.35 . . . . 0.0 110.273 -171.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -133.01 136.7 46.17 Favored 'General case' 0 C--N 1.332 -0.152 0 C-N-CA 125.475 1.51 . . . . 0.0 109.864 161.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.7 t -71.8 142.68 49.66 Favored 'General case' 0 C--N 1.318 -0.79 0 C-N-CA 123.403 0.681 . . . . 0.0 111.102 167.141 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.8 mt -94.93 -30.89 13.92 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.38 1.472 . . . . 0.0 112.433 177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 52.5 p -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.825 1.65 . . . . 0.0 111.471 177.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 24.5 p -110.33 -43.16 3.96 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 126.676 1.99 . . . . 0.0 113.525 -174.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 105.98 3.05 39.4 Favored Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.249 1.404 . . . . 0.0 115.112 -174.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -67.12 137.73 56.55 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 119.009 1.404 . . . . 0.0 110.916 175.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 92.0 m -122.79 147.65 46.28 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 126.086 1.754 . . . . 0.0 109.262 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.16 -151.12 11.7 Favored Glycine 0 CA--C 1.527 0.806 0 C-N-CA 125.471 1.51 . . . . 0.0 113.675 -176.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . 0.429 ' H ' ' HA ' ' A' ' 17' ' ' ASP . 56.3 m-85 -113.67 153.4 28.98 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.005 1.322 . . . . 0.0 113.652 175.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 15.4 pt -136.48 153.3 76.05 Favored Pre-proline 0 N--CA 1.473 0.707 0 C-N-CA 126.642 1.977 . . . . 0.0 110.705 163.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -61.17 135.13 56.53 Favored 'Trans proline' 0 N--CA 1.454 -0.821 0 C-N-CA 122.233 1.955 . . . . 0.0 109.262 163.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.1 p -61.65 -35.75 25.14 Favored Pre-proline 0 CA--C 1.544 0.729 0 N-CA-C 116.243 1.942 . . . . 0.0 116.243 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -68.96 -8.1 22.62 Favored 'Trans proline' 0 C--N 1.36 1.171 0 CA-C-N 122.614 1.969 . . . . 0.0 113.442 -178.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 20.5 t80 -50.55 -36.67 35.51 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.572 1.149 . . . . 0.0 112.759 170.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -120.3 -30.18 4.66 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.375 1.47 . . . . 0.0 113.64 174.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.834 0 C-N-CA 124.874 1.269 . . . . 0.0 114.097 -172.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.0 p . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 112.574 0.583 . . . . 0.0 112.574 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 t -175.01 160.93 2.85 Favored 'General case' 0 N--CA 1.473 0.687 0 C-N-CA 126.466 1.907 . . . . 0.0 110.874 -169.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.3 mt -90.81 176.58 6.58 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.293 1.037 . . . . 0.0 112.968 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -162.84 157.82 21.87 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 128.661 2.784 . . . . 0.0 109.945 170.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -117.15 134.01 55.3 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 123.697 0.799 . . . . 0.0 108.96 169.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.26 118.11 7.53 Favored 'General case' 0 C--O 1.235 0.315 0 C-N-CA 125.43 1.492 . . . . 0.0 110.624 -179.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 53.6 mt -85.04 -4.09 59.03 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 125.069 1.348 . . . . 0.0 112.551 -177.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -161.03 173.16 15.64 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.43 1.492 . . . . 0.0 112.005 -173.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -96.62 154.14 17.45 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.891 1.676 . . . . 0.0 112.595 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -159.45 166.03 31.85 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.671 1.588 . . . . 0.0 112.884 -176.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -155.67 120.17 4.66 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.642 1.577 . . . . 0.0 109.635 -177.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.46 133.61 50.77 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.557 1.688 . . . . 0.0 115.557 -155.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -94.77 -36.74 11.57 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.168 1.787 . . . . 0.0 114.574 -168.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.8 p -94.04 -37.17 11.77 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.014 1.279 . . . . 0.0 111.508 -178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 105.21 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 131.239 3.816 . . . . 0.0 111.72 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -88.32 -17.47 30.56 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 126.058 1.743 . . . . 0.0 112.502 170.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -80.29 162.79 24.39 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.434 1.893 . . . . 0.0 112.381 166.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 62.4 mt -106.63 154.3 21.12 Favored 'General case' 0 C--O 1.23 0.063 0 C-N-CA 125.497 1.519 . . . . 0.0 111.237 -176.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 50.5 m -105.81 149.22 26.69 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 114.854 -1.066 . . . . 0.0 111.806 174.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -156.0 160.96 40.5 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-O 122.633 1.206 . . . . 0.0 113.337 -168.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -123.24 148.47 45.83 Favored 'General case' 0 C--O 1.238 0.45 0 CA-C-N 113.822 -1.536 . . . . 0.0 109.075 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -56.04 123.81 15.67 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 121.251 0.548 . . . . 0.0 111.333 177.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.06 -13.09 45.07 Favored Glycine 0 CA--C 1.533 1.214 0 CA-C-O 117.54 -1.7 . . . . 0.0 115.0 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -63.8 135.09 56.35 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 120.359 2.08 . . . . 0.0 110.475 171.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -95.19 126.03 40.24 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.458 1.103 . . . . 0.0 110.52 177.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.2 m-85 -112.26 145.84 39.25 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 126.037 1.735 . . . . 0.0 111.432 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -100.79 131.08 46.85 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.118 1.767 . . . . 0.0 107.412 161.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 20.6 mm -98.0 117.38 42.74 Favored 'Isoleucine or valine' 0 C--O 1.239 0.508 0 C-N-CA 124.588 1.155 . . . . 0.0 109.162 178.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 72.6 mt -86.07 -41.42 14.8 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 126.148 1.779 . . . . 0.0 111.448 -175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -168.49 143.71 3.48 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 126.304 1.842 . . . . 0.0 111.75 175.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.9 m -95.01 56.31 1.93 Allowed 'General case' 0 N--CA 1.481 1.123 0 CA-C-O 123.613 1.673 . . . . 0.0 112.735 -174.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 9.1 m -79.18 -36.37 40.42 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.096 1.888 . . . . 0.0 116.096 -139.525 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -107.41 19.27 20.51 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.653 1.181 . . . . 0.0 111.311 177.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 76.41 -34.53 1.34 Allowed Glycine 0 CA--C 1.533 1.216 0 C-N-CA 126.882 2.182 . . . . 0.0 114.427 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -129.36 -20.98 3.26 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 128.033 2.533 . . . . 0.0 112.744 -174.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.9 m95 -120.67 121.46 38.34 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.117 0.967 . . . . 0.0 109.315 167.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 42.3 m0 -111.85 155.74 23.13 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.099 0.96 . . . . 0.0 112.362 -171.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -89.57 123.73 33.91 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 125.336 1.454 . . . . 0.0 109.598 171.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.5 m -140.85 172.46 11.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 C-N-CA 125.642 1.577 . . . . 0.0 111.684 -170.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -144.26 153.59 42.2 Favored 'General case' 0 N--CA 1.447 -0.619 0 CA-C-N 114.21 -1.359 . . . . 0.0 110.349 159.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.5 t -52.15 123.31 10.31 Favored 'General case' 0 C--N 1.315 -0.894 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.505 155.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.3 tp -67.26 -42.67 83.49 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.196 164.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 84.9 m -63.73 -38.39 90.94 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 126.74 2.016 . . . . 0.0 113.88 -171.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 26.0 p -115.35 -40.08 3.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 125.629 1.572 . . . . 0.0 112.096 -176.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 103.29 -1.62 46.85 Favored Glycine 0 CA--C 1.537 1.42 0 C-N-CA 126.117 1.817 . . . . 0.0 114.516 -171.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -62.48 134.16 56.01 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.107 1.454 . . . . 0.0 110.614 174.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 33.2 m -122.98 147.58 46.47 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 126.76 2.024 . . . . 0.0 110.006 -165.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.5 -152.5 20.54 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.951 1.263 . . . . 0.0 114.572 179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 9.2 m-85 -103.13 169.95 8.25 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.748 1.619 . . . . 0.0 112.926 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.5 pp -156.4 156.55 30.28 Favored Pre-proline 0 N--CA 1.474 0.747 0 C-N-CA 126.232 1.813 . . . . 0.0 110.376 173.257 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -73.47 112.72 3.6 Favored 'Trans proline' 0 N--CA 1.452 -0.95 0 C-N-CA 122.938 2.425 . . . . 0.0 109.339 158.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 t -47.37 -55.59 15.69 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.424 1.49 . . . . 0.0 113.758 168.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -70.96 -19.17 30.74 Favored 'Trans proline' 0 C--N 1.354 0.864 0 C-N-CA 122.622 2.214 . . . . 0.0 113.885 -171.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -97.97 -32.01 11.88 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 118.587 0.63 . . . . 0.0 112.341 178.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.68 -43.27 84.96 Favored 'General case' 0 CA--C 1.54 0.591 0 O-C-N 121.744 -0.597 . . . . 0.0 111.248 164.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.553 1.091 0 C-N-CA 126.031 1.732 . . . . 0.0 113.483 168.245 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.0 p . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 111.817 0.303 . . . . 0.0 111.817 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.6 t -174.41 165.4 3.93 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.644 2.378 . . . . 0.0 110.779 -177.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.3 mt -105.1 176.88 5.01 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.937 1.695 . . . . 0.0 112.219 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.2 t80 -164.84 157.37 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 126.668 1.987 . . . . 0.0 111.608 177.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -122.74 133.22 54.48 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.537 1.135 . . . . 0.0 109.683 172.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.84 118.89 7.78 Favored 'General case' 0 CA--C 1.534 0.361 0 C-N-CA 126.086 1.754 . . . . 0.0 110.75 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 69.3 mt -89.64 -1.62 58.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.02 1.328 . . . . 0.0 112.999 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 12.6 t80 -157.74 170.05 23.25 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.355 1.462 . . . . 0.0 112.373 -177.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 -92.02 150.76 20.81 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 125.724 1.609 . . . . 0.0 112.663 179.067 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -160.08 166.52 29.71 Favored 'General case' 0 CA--C 1.548 0.898 0 C-N-CA 126.069 1.748 . . . . 0.0 112.523 -173.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -151.41 121.53 7.19 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 125.243 1.417 . . . . 0.0 109.765 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.05 133.46 56.11 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.37 1.468 . . . . 0.0 114.587 -166.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -102.65 -38.22 7.59 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 125.484 1.514 . . . . 0.0 114.245 -162.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.6 p -90.4 -27.14 19.51 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.402 1.481 . . . . 0.0 111.594 177.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 100.68 -20.39 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 130.844 3.658 . . . . 0.0 111.168 177.382 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -92.75 -10.81 35.68 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 126.648 1.979 . . . . 0.0 112.82 174.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -84.16 179.42 7.49 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 126.905 2.082 . . . . 0.0 112.181 163.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.6 mt -125.7 147.16 49.45 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.683 1.193 . . . . 0.0 112.1 -162.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.1 m -108.48 147.39 31.75 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 123.786 0.834 . . . . 0.0 112.165 -175.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 35.1 p90 -155.84 157.8 37.01 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-O 122.72 1.248 . . . . 0.0 113.716 -170.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 98.4 m-70 -121.61 152.2 39.55 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 113.869 -1.514 . . . . 0.0 108.735 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.0 pttm -59.44 123.64 17.45 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.323 0.582 . . . . 0.0 111.628 -177.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 106.64 -11.46 42.33 Favored Glycine 0 CA--C 1.538 1.517 0 C-N-CA 126.736 2.112 . . . . 0.0 115.2 -170.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -70.82 138.16 50.1 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 120.099 1.95 . . . . 0.0 111.026 173.019 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -99.87 134.99 41.96 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.407 1.083 . . . . 0.0 112.47 -174.581 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.5 m-85 -120.89 150.4 41.12 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 126.253 1.821 . . . . 0.0 112.13 177.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -107.66 135.5 48.99 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 127.344 2.258 . . . . 0.0 108.075 169.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 27.8 mm -98.35 117.88 43.99 Favored 'Isoleucine or valine' 0 C--O 1.24 0.578 0 C-N-CA 124.895 1.278 . . . . 0.0 109.905 178.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 21.4 mt -88.39 -32.46 18.34 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 126.118 1.767 . . . . 0.0 111.174 176.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -168.65 149.9 4.76 Favored 'General case' 0 CA--C 1.557 1.227 0 C-N-CA 126.709 2.004 . . . . 0.0 113.125 170.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.4 m -99.18 54.04 0.97 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 127.453 2.301 . . . . 0.0 112.833 -173.484 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.0 m -81.1 -46.26 15.22 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 115.85 1.796 . . . . 0.0 115.85 -136.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -111.26 6.03 20.3 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.673 1.589 . . . . 0.0 110.907 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.55 -56.5 3.77 Favored Glycine 0 C--N 1.346 1.1 0 C-N-CA 126.831 2.158 . . . . 0.0 113.369 174.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -81.35 -23.38 37.77 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.717 2.007 . . . . 0.0 111.998 174.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -134.33 140.17 46.18 Favored 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 125.745 1.618 . . . . 0.0 111.539 171.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 52.5 m0 -124.92 163.08 23.04 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.57 1.148 . . . . 0.0 113.51 -175.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 24.6 mt-10 -96.18 119.71 35.16 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 125.714 1.606 . . . . 0.0 109.592 170.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.4 m -145.95 174.55 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 114.13 -1.396 . . . . 0.0 111.847 -164.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 8.5 ptp85 -145.3 156.4 43.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.556 -1.202 . . . . 0.0 110.39 159.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -54.6 125.36 19.46 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.708 0.766 . . . . 0.0 110.273 155.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 23.6 tp -72.58 -38.42 67.88 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.949 168.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 97.2 m -63.55 -42.79 98.35 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 127.079 2.152 . . . . 0.0 113.832 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 30.4 p -110.42 -37.75 5.42 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.264 1.426 . . . . 0.0 111.496 -175.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.19 -7.7 40.89 Favored Glycine 0 CA--C 1.537 1.458 0 C-N-CA 126.546 2.022 . . . . 0.0 113.972 -172.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -67.68 133.0 48.55 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 118.794 1.297 . . . . 0.0 111.672 -174.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 90.1 m -121.02 149.58 42.46 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 126.766 2.026 . . . . 0.0 110.985 -158.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 157.98 -137.22 5.19 Favored Glycine 0 CA--C 1.529 0.93 0 C-N-CA 125.68 1.61 . . . . 0.0 113.353 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 95.1 m-85 -117.9 162.49 18.04 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.78 1.232 . . . . 0.0 112.859 -173.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.8 pp -148.72 154.5 40.68 Favored Pre-proline 0 N--CA 1.476 0.855 0 C-N-CA 126.46 1.904 . . . . 0.0 109.741 172.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 6.9 Cg_endo -76.35 122.35 6.52 Favored 'Trans proline' 0 N--CA 1.449 -1.088 0 C-N-CA 122.542 2.161 . . . . 0.0 108.704 159.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.7 t -52.26 -57.45 15.28 Favored Pre-proline 0 CA--C 1.544 0.729 0 C-N-CA 126.471 1.908 . . . . 0.0 113.655 175.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -71.82 -12.41 28.62 Favored 'Trans proline' 0 C--N 1.356 0.945 0 C-N-CA 122.222 1.948 . . . . 0.0 113.192 -172.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -91.54 -48.21 6.99 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 124.128 0.971 . . . . 0.0 110.511 -178.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 29.4 tp -50.83 -45.09 59.42 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.053 0.941 . . . . 0.0 111.875 163.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 0.937 0 C-N-CA 126.356 1.862 . . . . 0.0 113.857 172.866 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.6 p . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.8 t -164.31 160.96 21.53 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.598 1.559 . . . . 0.0 111.954 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.8 mt -101.28 167.91 9.89 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.125 1.77 . . . . 0.0 113.088 -171.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -164.15 154.19 14.64 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.52 1.928 . . . . 0.0 112.08 -178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -126.2 133.18 51.6 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.156 1.382 . . . . 0.0 110.029 176.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.59 125.57 27.13 Favored 'General case' 0 C--O 1.236 0.36 0 C-N-CA 126.76 2.024 . . . . 0.0 112.046 -175.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.8 mt -86.9 -18.24 31.33 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 -178.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -145.43 172.66 12.87 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.983 1.313 . . . . 0.0 112.866 -170.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 28.7 m-20 -100.61 149.78 23.39 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.231 1.413 . . . . 0.0 112.748 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.5 t80 -158.09 167.15 30.67 Favored 'General case' 0 CA--C 1.551 1.004 0 C-N-CA 125.914 1.685 . . . . 0.0 113.002 -166.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -151.87 125.61 9.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.759 1.624 . . . . 0.0 108.988 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.29 127.38 31.82 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.826 1.65 . . . . 0.0 114.723 -167.39 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.7 mmp_? -87.25 -36.37 17.98 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 125.628 1.571 . . . . 0.0 114.434 -166.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 1.7 p -133.08 -10.66 2.96 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.131 1.372 . . . . 0.0 113.596 -167.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 98.21 -8.96 0.06 Allowed 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 129.758 3.223 . . . . 0.0 113.374 154.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.2 p-10 -79.0 -26.08 43.29 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 127.582 2.353 . . . . 0.0 112.379 157.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 16.4 p-10 -82.4 165.52 20.2 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 126.249 1.82 . . . . 0.0 112.828 171.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 64.7 mt -118.75 147.98 43.29 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 125.685 1.594 . . . . 0.0 110.485 -169.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.7 m -91.15 142.61 27.56 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 121.79 -0.569 . . . . 0.0 111.701 174.312 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -140.89 157.85 44.78 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-O 122.543 1.163 . . . . 0.0 112.321 178.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.8 p80 -119.84 159.39 24.68 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.159 -1.382 . . . . 0.0 109.087 168.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -51.41 122.03 7.25 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 123.663 0.785 . . . . 0.0 110.079 171.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.01 -11.14 58.78 Favored Glycine 0 CA--C 1.537 1.418 0 C-N-CA 125.918 1.723 . . . . 0.0 115.867 -174.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -66.94 143.24 56.94 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-N 119.842 1.821 . . . . 0.0 110.959 173.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.9 mttp -112.86 134.84 54.18 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 126.61 1.964 . . . . 0.0 111.973 -169.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -130.17 153.75 48.22 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 126.984 2.113 . . . . 0.0 111.258 -169.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 5.7 pt20 -126.96 143.71 51.21 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 124.743 1.217 . . . . 0.0 109.493 160.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.6 mm -101.32 121.74 52.58 Favored 'Isoleucine or valine' 0 C--O 1.238 0.473 0 C-N-CA 125.541 1.536 . . . . 0.0 109.106 -171.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.4 mt -86.56 -41.19 14.51 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.273 1.829 . . . . 0.0 111.581 -176.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 35.3 t30 -175.93 130.21 0.24 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.639 1.576 . . . . 0.0 111.665 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.0 m -121.29 17.1 11.47 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.628 1.171 . . . . 0.0 113.11 -171.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 5.1 p -60.41 -26.64 66.84 Favored 'General case' 0 CA--C 1.545 0.769 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -168.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -92.14 0.85 57.47 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 124.758 1.223 . . . . 0.0 113.571 176.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.32 -49.51 3.82 Favored Glycine 0 N--CA 1.472 1.037 0 C-N-CA 126.843 2.163 . . . . 0.0 116.226 157.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -98.49 -29.79 12.9 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 126.461 1.905 . . . . 0.0 112.857 -172.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 71.3 m95 -125.97 127.54 46.1 Favored 'General case' 0 C--O 1.235 0.333 0 C-N-CA 125.523 1.529 . . . . 0.0 109.093 165.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 35.7 m0 -107.62 155.18 20.42 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.828 0.851 . . . . 0.0 112.272 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -81.06 128.22 33.48 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.353 1.061 . . . . 0.0 109.458 166.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.8 m -141.19 171.93 11.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 C-N-CA 126.397 1.879 . . . . 0.0 112.6 -173.433 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 42.3 ttt-85 -141.8 140.4 33.0 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 127.55 2.34 . . . . 0.0 108.501 172.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.0 t -66.85 129.08 38.7 Favored 'General case' 0 C--N 1.321 -0.635 0 C-N-CA 123.841 0.856 . . . . 0.0 110.826 165.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.79 -37.68 76.42 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.155 172.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 94.5 m -67.4 -43.03 82.29 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.678 1.991 . . . . 0.0 113.754 -174.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 69.3 p -108.44 -40.99 4.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.654 1.181 . . . . 0.0 112.479 -177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 101.23 4.26 53.63 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 125.9 1.714 . . . . 0.0 114.362 -168.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -67.37 140.74 57.22 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 118.948 1.374 . . . . 0.0 111.736 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.1 p -118.45 142.68 47.33 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.844 2.458 . . . . 0.0 111.921 -170.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.36 -151.85 19.19 Favored Glycine 0 CA--C 1.532 1.15 0 C-N-CA 125.178 1.371 . . . . 0.0 114.659 -179.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -110.81 171.62 7.36 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 126.491 1.916 . . . . 0.0 113.55 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -155.07 154.42 28.77 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 127.105 2.162 . . . . 0.0 110.837 176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_endo -81.47 96.41 0.94 Allowed 'Trans proline' 0 N--CA 1.456 -0.712 0 C-N-CA 123.474 2.783 . . . . 0.0 109.062 168.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 3.8 m -53.68 -47.24 97.28 Favored Pre-proline 0 C--N 1.323 -0.559 0 C-N-CA 127.303 2.241 . . . . 0.0 115.71 -175.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -71.52 -10.78 27.39 Favored 'Trans proline' 0 C--N 1.357 1.008 0 C-N-CA 122.232 1.955 . . . . 0.0 113.091 179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 64.2 t80 -96.83 -46.38 6.27 Favored 'General case' 0 CA--C 1.535 0.385 0 C-N-CA 124.168 0.987 . . . . 0.0 112.268 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 60.4 tp -54.22 -44.81 71.99 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.159 1.384 . . . . 0.0 111.768 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.847 0 C-N-CA 126.243 1.817 . . . . 0.0 114.124 173.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.7 p . . . . . 0 N--CA 1.479 0.993 0 N-CA-C 113.287 0.847 . . . . 0.0 113.287 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.9 p -70.23 152.96 43.64 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 127.563 2.345 . . . . 0.0 112.072 178.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.55 168.03 9.53 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.407 1.083 . . . . 0.0 112.891 176.315 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -160.57 160.15 31.45 Favored 'General case' 0 CA--C 1.533 0.315 0 C-N-CA 125.759 1.623 . . . . 0.0 112.359 -177.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -110.54 143.45 40.89 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.87 0.868 . . . . 0.0 109.491 168.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.16 115.99 4.22 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 126.312 1.845 . . . . 0.0 112.089 -178.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 mt -67.65 -36.13 80.17 Favored 'General case' 0 N--CA 1.467 0.42 0 C-N-CA 123.41 0.684 . . . . 0.0 111.866 178.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 51.1 p90 -158.24 158.19 34.0 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.634 1.574 . . . . 0.0 111.547 -179.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -68.71 149.02 49.55 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.705 1.602 . . . . 0.0 112.64 -172.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -156.15 155.64 32.84 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.291 1.436 . . . . 0.0 111.934 -169.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -159.18 127.51 5.12 Favored 'General case' 0 CA--C 1.537 0.442 0 O-C-N 121.119 -0.988 . . . . 0.0 110.948 -171.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.83 121.32 11.43 Favored 'General case' 0 CA--C 1.545 0.764 0 N-CA-C 115.726 1.75 . . . . 0.0 115.726 -156.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -83.04 -41.91 18.09 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 126.064 1.745 . . . . 0.0 113.563 -172.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -96.61 -32.64 12.13 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 125.488 1.515 . . . . 0.0 111.862 -177.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 65.4 mt-10 98.43 -9.33 0.05 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 131.377 3.871 . . . . 0.0 112.334 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.86 -17.02 42.29 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 125.395 1.478 . . . . 0.0 112.531 167.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.3 p-10 -88.92 167.97 12.78 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 127.932 2.493 . . . . 0.0 113.821 178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.8 tp -114.93 148.33 38.82 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.959 2.103 . . . . 0.0 111.191 -167.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.4 m -117.28 151.67 36.47 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 113.832 1.049 . . . . 0.0 113.832 -170.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 39.2 m-85 -147.64 167.74 23.82 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-O 122.996 1.379 . . . . 0.0 113.866 -166.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 15.7 t60 -132.54 144.49 50.45 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 127.434 2.294 . . . . 0.0 107.522 176.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.9 ptpp? -52.26 129.37 27.86 Favored 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 122.158 0.98 . . . . 0.0 112.276 -178.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.34 -4.52 83.64 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 126.118 1.818 . . . . 0.0 115.85 -175.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -66.66 144.09 56.59 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 120.686 2.243 . . . . 0.0 111.767 175.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.01 130.14 50.0 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.9 0.88 . . . . 0.0 112.148 -169.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -141.64 165.59 27.06 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.61 1.564 . . . . 0.0 112.347 -177.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -133.51 139.49 46.66 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 126.802 2.041 . . . . 0.0 108.655 -179.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 21.9 mm -85.86 131.04 35.41 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 N-CA-C 108.399 -0.963 . . . . 0.0 108.399 171.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 83.7 mt -100.29 -30.51 11.84 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.086 1.754 . . . . 0.0 111.979 174.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -152.67 130.02 11.32 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.35 1.46 . . . . 0.0 111.842 174.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.418 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 11.9 p -114.27 -6.02 12.98 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.945 2.098 . . . . 0.0 113.512 -178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 70.9 m -88.32 -3.42 58.85 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.135 -1.603 . . . . 0.0 114.477 -161.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -69.99 -14.62 62.79 Favored 'General case' 0 CA--C 1.552 1.042 0 O-C-N 121.727 -0.608 . . . . 0.0 111.971 157.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 80.79 -51.56 4.31 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 127.405 2.431 . . . . 0.0 114.727 166.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -83.9 -43.87 14.84 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.92 1.688 . . . . 0.0 111.945 -175.373 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.9 m95 -127.7 140.31 52.15 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.133 1.373 . . . . 0.0 111.099 172.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.418 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 47.6 m0 -114.81 140.21 49.11 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.958 1.703 . . . . 0.0 111.458 -173.265 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -75.54 123.76 26.04 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.978 1.311 . . . . 0.0 109.367 172.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.8 p -132.38 155.37 41.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 C-N-CA 126.442 1.897 . . . . 0.0 110.168 -171.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -129.52 137.58 50.87 Favored 'General case' 0 C--N 1.332 -0.161 0 C-N-CA 124.721 1.208 . . . . 0.0 109.779 158.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 t -71.35 146.89 48.52 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.372 0.606 . . . . 0.0 110.563 159.647 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 29.4 mt -97.75 -28.46 13.87 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.119 1.367 . . . . 0.0 112.154 -179.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 66.7 p -67.3 -44.48 79.12 Favored 'General case' 0 N--CA 1.469 0.508 0 C-N-CA 126.528 1.931 . . . . 0.0 111.59 -177.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.7 p -117.74 -6.77 11.06 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 128.217 2.607 . . . . 0.0 113.807 -175.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.76 -0.77 56.05 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.912 1.244 . . . . 0.0 115.971 -176.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -65.27 128.85 37.53 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 119.005 1.403 . . . . 0.0 111.734 -172.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 98.6 m -113.92 146.51 39.96 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.845 1.658 . . . . 0.0 109.649 -177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.31 -142.35 7.13 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 125.698 1.618 . . . . 0.0 112.416 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -124.22 150.27 45.45 Favored 'General case' 0 CA--C 1.538 0.486 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -175.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 16.5 pt -131.45 149.9 74.87 Favored Pre-proline 0 N--CA 1.471 0.614 0 C-N-CA 125.634 1.574 . . . . 0.0 111.487 165.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -67.02 135.34 37.27 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.503 2.135 . . . . 0.0 108.32 167.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 68.8 p -60.08 -37.46 48.76 Favored Pre-proline 0 CA--C 1.544 0.713 0 N-CA-C 116.441 2.015 . . . . 0.0 116.441 -177.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -68.81 -11.59 32.27 Favored 'Trans proline' 0 C--N 1.361 1.217 0 CA-C-N 122.77 2.025 . . . . 0.0 113.042 -177.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 65.2 t80 -48.95 -38.02 21.79 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.658 1.183 . . . . 0.0 112.647 170.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -121.82 -25.1 5.09 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.112 1.365 . . . . 0.0 114.161 174.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.77 0 N-CA-C 114.318 1.229 . . . . 0.0 114.318 -179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.474 0.736 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.1 t -174.73 171.95 3.1 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 127.845 2.458 . . . . 0.0 110.731 179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 71.0 mt -107.69 173.75 6.19 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 126.662 1.985 . . . . 0.0 112.2 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -158.23 157.93 33.52 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.445 1.898 . . . . 0.0 111.653 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -125.74 130.59 51.8 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.248 1.019 . . . . 0.0 109.985 172.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.67 122.29 16.0 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.276 1.83 . . . . 0.0 111.382 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.0 mt -94.33 6.09 49.75 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.787 1.635 . . . . 0.0 112.493 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -161.22 166.62 27.48 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.943 1.697 . . . . 0.0 111.234 -170.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -96.12 148.41 22.72 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 125.054 1.342 . . . . 0.0 112.787 175.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 59.0 t80 -158.14 167.35 30.08 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 126.036 1.734 . . . . 0.0 113.097 -173.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -159.29 120.63 3.3 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.462 1.505 . . . . 0.0 109.421 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -61.47 129.13 39.66 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 115.474 1.657 . . . . 0.0 115.474 -160.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -90.92 -31.7 16.28 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.356 1.463 . . . . 0.0 114.293 -168.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 p -94.96 -34.02 12.53 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-N 120.36 1.436 . . . . 0.0 112.113 173.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 109.21 -23.43 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 131.28 3.832 . . . . 0.0 111.192 -177.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -87.72 -18.18 30.06 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.489 1.916 . . . . 0.0 113.048 176.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -75.71 165.41 25.08 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.658 1.583 . . . . 0.0 111.981 163.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.4 mt -106.38 141.75 37.18 Favored 'General case' 0 C--O 1.231 0.104 0 C-N-CA 124.782 1.233 . . . . 0.0 111.244 -170.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 15.4 m -96.74 140.81 30.77 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.183 -0.917 . . . . 0.0 111.009 179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 28.3 p90 -149.37 159.27 44.43 Favored 'General case' 0 CA--C 1.529 0.17 0 CA-C-O 122.843 1.306 . . . . 0.0 113.44 -169.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 -126.48 152.98 45.73 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 124.996 1.318 . . . . 0.0 109.19 176.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 pttm -57.91 125.73 24.37 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-O 121.377 0.608 . . . . 0.0 111.343 179.416 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 101.3 -11.1 58.35 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 126.106 1.812 . . . . 0.0 114.88 -168.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -68.9 134.92 50.24 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.393 2.097 . . . . 0.0 111.409 176.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -98.87 140.0 33.7 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.768 1.227 . . . . 0.0 112.248 -176.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 38.5 m-85 -128.93 152.57 48.41 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.927 2.091 . . . . 0.0 112.357 -174.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -114.59 133.24 55.97 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 127.398 2.279 . . . . 0.0 108.605 164.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 17.4 mm -104.61 122.12 57.23 Favored 'Isoleucine or valine' 0 C--O 1.239 0.549 0 C-N-CA 125.527 1.531 . . . . 0.0 110.051 -176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 74.0 mt -100.88 -36.2 9.14 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.768 2.027 . . . . 0.0 112.836 -169.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -172.48 141.8 1.2 Allowed 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.053 1.741 . . . . 0.0 113.432 170.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.7 m -83.8 50.81 1.89 Allowed 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 126.294 1.837 . . . . 0.0 113.877 -177.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 20.2 m -75.7 -29.83 59.12 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 116.704 2.113 . . . . 0.0 116.704 -150.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -107.64 5.33 26.79 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.091 0.956 . . . . 0.0 111.638 173.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.08 -58.44 3.59 Favored Glycine 0 CA--C 1.53 0.973 0 C-N-CA 126.702 2.096 . . . . 0.0 113.187 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -82.03 -31.24 31.07 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 126.508 1.923 . . . . 0.0 112.532 179.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.0 m95 -117.89 132.76 56.38 Favored 'General case' 0 C--O 1.237 0.41 0 C-N-CA 124.992 1.317 . . . . 0.0 110.037 170.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 45.8 m0 -111.62 152.85 27.16 Favored 'General case' 0 N--CA 1.463 0.199 0 C-N-CA 124.156 0.982 . . . . 0.0 111.859 -179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -82.84 131.09 35.21 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 124.7 1.2 . . . . 0.0 110.168 166.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 32.6 m -148.52 175.42 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 C-N-CA 126.336 1.855 . . . . 0.0 112.205 -167.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 11.1 ptp85 -141.31 157.88 44.62 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 114.431 -1.259 . . . . 0.0 111.024 151.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.2 t -54.04 135.29 43.28 Favored 'General case' 0 C--N 1.318 -0.804 0 C-N-CA 123.858 0.863 . . . . 0.0 111.193 155.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 31.2 tp -83.07 -37.59 23.66 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.486 0.714 . . . . 0.0 111.515 165.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 77.0 m -63.49 -41.42 98.57 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 126.5 1.92 . . . . 0.0 114.007 -176.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 59.8 p -110.86 -38.2 5.18 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 125.336 1.454 . . . . 0.0 112.127 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 106.97 -6.78 37.53 Favored Glycine 0 CA--C 1.537 1.422 0 C-N-CA 125.825 1.679 . . . . 0.0 114.635 -172.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -60.76 130.95 49.07 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.837 1.318 . . . . 0.0 111.524 -176.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 76.9 m -112.9 141.83 46.27 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 126.345 1.858 . . . . 0.0 110.661 -165.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.58 -138.19 5.02 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 125.457 1.503 . . . . 0.0 113.956 -178.39 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 70.6 m-85 -119.58 170.2 9.39 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.508 1.523 . . . . 0.0 113.478 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 1.9 pp -150.61 157.27 36.4 Favored Pre-proline 0 N--CA 1.478 0.937 0 C-N-CA 126.164 1.786 . . . . 0.0 110.837 167.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -79.4 108.1 2.28 Favored 'Trans proline' 0 N--CA 1.457 -0.674 0 C-N-CA 123.425 2.75 . . . . 0.0 109.572 164.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 9.5 t -49.68 -52.35 51.72 Favored Pre-proline 0 CA--C 1.549 0.906 0 C-N-CA 125.779 1.632 . . . . 0.0 114.971 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -72.66 -13.4 27.16 Favored 'Trans proline' 0 CA--C 1.539 0.749 0 C-N-CA 122.0 1.8 . . . . 0.0 114.022 -174.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 21.3 t80 -100.85 -36.21 9.15 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 123.848 0.859 . . . . 0.0 111.666 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 20.1 tp -47.25 -43.45 21.99 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.0 1.32 . . . . 0.0 111.614 159.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.551 1.012 0 C-N-CA 126.443 1.897 . . . . 0.0 114.223 175.329 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 20.7 p . . . . . 0 N--CA 1.474 0.732 0 N-CA-C 111.743 0.275 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.5 t -169.4 163.18 10.53 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 125.341 1.456 . . . . 0.0 112.887 -173.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -101.15 167.15 10.4 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 126.504 1.922 . . . . 0.0 111.973 175.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 21.2 t80 -166.68 149.56 6.73 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 126.198 1.799 . . . . 0.0 111.166 -179.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -113.07 135.83 53.37 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 121.345 -0.847 . . . . 0.0 109.566 171.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.61 116.23 3.27 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.034 1.734 . . . . 0.0 110.305 178.587 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 64.5 mt -82.04 -11.16 58.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.776 1.631 . . . . 0.0 112.675 179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 6.7 t80 -157.94 169.93 23.46 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.868 1.267 . . . . 0.0 112.485 -174.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -90.89 153.39 20.24 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.824 1.25 . . . . 0.0 112.806 177.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -158.76 167.41 29.56 Favored 'General case' 0 N--CA 1.476 0.868 0 C-N-CA 126.051 1.74 . . . . 0.0 112.479 -173.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -153.2 118.12 5.08 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 124.508 1.123 . . . . 0.0 111.229 179.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.73 136.55 56.91 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.459 1.904 . . . . 0.0 115.245 -168.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -96.66 -39.29 9.56 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.912 1.685 . . . . 0.0 113.713 -166.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.0 p -98.08 -31.95 11.87 Favored 'General case' 0 N--CA 1.481 1.109 0 C-N-CA 125.489 1.515 . . . . 0.0 111.69 -178.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 95.1 -9.19 0.1 Allowed 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 129.841 3.257 . . . . 0.0 111.851 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -88.1 -16.42 33.57 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 125.493 1.517 . . . . 0.0 112.121 165.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 p-10 -84.07 166.8 17.39 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 126.742 2.017 . . . . 0.0 112.18 164.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.1 mt -115.79 151.87 34.38 Favored 'General case' 0 N--CA 1.463 0.177 0 C-N-CA 125.822 1.649 . . . . 0.0 111.879 -169.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 m -111.87 151.53 29.01 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.611 -175.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -159.67 165.7 32.13 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 122.751 1.262 . . . . 0.0 113.453 -166.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 90.0 m-70 -137.87 149.91 46.68 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 113.54 -1.664 . . . . 0.0 109.786 -176.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.1 pttm -54.07 113.21 1.15 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.022 0.529 . . . . 0.0 111.354 177.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 114.95 -18.52 16.42 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 125.802 1.668 . . . . 0.0 115.219 -171.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -69.92 138.92 52.79 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.832 1.816 . . . . 0.0 111.202 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -100.66 136.67 40.16 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.866 1.267 . . . . 0.0 112.041 -176.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -124.31 150.51 45.35 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 127.198 2.199 . . . . 0.0 112.203 -179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 24.7 tt0 -116.26 131.42 56.95 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 127.223 2.209 . . . . 0.0 107.454 168.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.8 mm -104.49 109.1 26.38 Favored 'Isoleucine or valine' 0 C--O 1.24 0.599 0 C-N-CA 125.435 1.494 . . . . 0.0 108.168 -172.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 50.2 mt -82.47 -37.38 25.45 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.343 1.457 . . . . 0.0 111.205 -171.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 17.8 t30 -169.04 144.35 3.24 Favored 'General case' 0 CA--C 1.555 1.138 0 C-N-CA 125.939 1.696 . . . . 0.0 113.325 169.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.8 m -93.35 55.78 2.33 Favored 'General case' 0 N--CA 1.484 1.264 0 CA-C-O 123.186 1.47 . . . . 0.0 112.889 -176.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 13.8 m -77.73 -32.64 52.92 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 115.981 1.845 . . . . 0.0 115.981 -150.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -118.06 4.12 12.07 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 124.868 1.267 . . . . 0.0 111.205 177.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 74.8 -56.2 2.6 Favored Glycine 0 N--CA 1.476 1.358 0 C-N-CA 127.39 2.424 . . . . 0.0 114.436 171.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -77.14 -33.23 56.73 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 126.999 2.12 . . . . 0.0 111.195 173.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 81.9 m95 -121.73 132.88 54.87 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 125.129 1.371 . . . . 0.0 111.206 169.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 48.9 m0 -111.47 152.55 27.31 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.902 1.281 . . . . 0.0 112.535 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -92.49 117.29 29.79 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 124.652 1.181 . . . . 0.0 109.024 169.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 m -142.5 172.42 8.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 C-N-CA 125.364 1.465 . . . . 0.0 111.293 -162.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.7 ptp180 -145.52 153.96 41.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 C-N-CA 124.476 1.11 . . . . 0.0 110.748 162.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.3 t -53.68 126.32 21.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.12 156.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 42.5 tp -71.15 -38.83 72.2 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.461 0.704 . . . . 0.0 110.578 167.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 29.7 m -60.79 -43.51 98.0 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 127.449 2.3 . . . . 0.0 114.729 -176.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 71.7 p -111.93 -36.07 5.51 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.917 1.287 . . . . 0.0 112.491 -178.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 100.27 -3.09 56.59 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 125.76 1.647 . . . . 0.0 113.899 -168.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -59.35 124.5 20.23 Favored 'General case' 0 CA--C 1.537 0.479 0 CA-C-N 118.777 1.289 . . . . 0.0 110.157 178.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 49.3 m -112.93 146.87 38.22 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.311 1.844 . . . . 0.0 109.999 -166.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.98 -141.01 6.62 Favored Glycine 0 CA--C 1.529 0.921 0 C-N-CA 125.629 1.585 . . . . 0.0 113.661 -179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -117.35 164.97 14.05 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.121 1.368 . . . . 0.0 113.524 -176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.9 pp -149.49 154.47 38.33 Favored Pre-proline 0 N--CA 1.477 0.905 0 C-N-CA 127.071 2.148 . . . . 0.0 108.6 166.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -81.13 124.07 4.76 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.386 2.057 . . . . 0.0 108.218 161.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.6 p -60.05 -36.57 39.57 Favored Pre-proline 0 CA--C 1.544 0.731 0 N-CA-C 115.717 1.747 . . . . 0.0 115.717 -172.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 29.7 Cg_exo -67.61 -19.53 48.01 Favored 'Trans proline' 0 C--N 1.359 1.126 0 CA-C-N 122.08 1.779 . . . . 0.0 114.001 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 50.3 m-85 -92.22 -46.8 7.55 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.856 0.863 . . . . 0.0 111.893 -172.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 23.8 tp -49.67 -46.06 49.36 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.126 0.57 . . . . 0.0 110.934 168.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.55 0.977 0 C-N-CA 125.518 1.527 . . . . 0.0 113.59 175.82 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 9.7 p . . . . . 0 N--CA 1.47 0.534 0 CA-C-O 118.838 -0.601 . . . . 0.0 112.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 4.4 t -170.93 165.17 7.71 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.216 1.407 . . . . 0.0 113.502 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 55.4 mt -96.08 154.33 17.3 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 128.644 2.778 . . . . 0.0 112.057 -178.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.5 t80 -163.79 147.66 10.17 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.334 1.054 . . . . 0.0 112.162 -166.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -103.64 147.46 27.2 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.499 1.12 . . . . 0.0 110.31 169.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.64 110.27 9.9 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 125.992 1.717 . . . . 0.0 109.788 169.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.18 5.93 44.85 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 125.599 1.56 . . . . 0.0 113.341 -175.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 72.5 t80 -166.67 157.75 12.54 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 126.862 2.065 . . . . 0.0 110.282 -176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -86.21 150.07 24.64 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -153.52 163.87 39.2 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.517 1.127 . . . . 0.0 112.982 -177.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -160.76 123.99 3.36 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.068 1.347 . . . . 0.0 109.958 -172.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -59.43 122.19 13.36 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 126.903 2.081 . . . . 0.0 115.531 -165.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.9 mmp_? -83.42 -35.32 25.11 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 125.333 1.453 . . . . 0.0 113.531 -174.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.4 p -114.38 -166.01 1.06 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.221 1.809 . . . . 0.0 109.252 172.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.2 pm0 -81.11 -8.94 59.87 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 127.198 2.199 . . . . 0.0 114.248 170.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -105.39 -30.74 9.4 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 125.22 1.408 . . . . 0.0 114.698 -167.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.6 p-10 -88.03 156.76 19.14 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.371 1.468 . . . . 0.0 113.214 178.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 49.8 mt -98.8 140.79 32.45 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.243 1.017 . . . . 0.0 112.967 -171.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 71.8 m -90.03 153.87 20.24 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.74 0.816 . . . . 0.0 112.497 166.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 36.5 p90 -163.3 -162.63 0.76 Allowed 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 125.276 1.431 . . . . 0.0 112.034 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 31.8 p-80 -147.78 157.22 43.43 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.395 1.478 . . . . 0.0 109.936 175.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 89.2 tttt -61.77 118.07 6.68 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.727 -0.608 . . . . 0.0 110.095 173.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.18 -10.67 36.86 Favored Glycine 0 CA--C 1.533 1.158 0 C-N-CA 126.709 2.1 . . . . 0.0 114.286 -172.317 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -68.45 151.39 46.89 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 119.73 1.765 . . . . 0.0 111.313 172.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 mmtm -108.97 136.86 47.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.007 0.923 . . . . 0.0 111.502 -172.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -134.59 147.08 50.15 Favored 'General case' 0 CA--C 1.537 0.478 0 C-N-CA 125.848 1.659 . . . . 0.0 112.894 -170.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.7 tt0 -103.2 130.07 50.3 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.095 2.158 . . . . 0.0 108.081 165.631 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 26.7 mm -97.59 112.07 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.439 0 C-N-CA 125.188 1.395 . . . . 0.0 108.505 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 24.1 mt -76.31 -48.86 18.58 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.203 1.401 . . . . 0.0 109.585 -178.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 56.2 t30 -166.67 151.83 7.86 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 126.447 1.899 . . . . 0.0 112.479 176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.9 m -97.59 45.93 1.03 Allowed 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 127.071 2.148 . . . . 0.0 112.618 -170.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 14.1 m -82.42 -24.86 34.14 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -137.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -107.76 8.44 28.85 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 125.491 1.516 . . . . 0.0 110.893 172.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 75.44 -68.81 2.07 Favored Glycine 0 C--N 1.344 1.013 0 C-N-CA 127.244 2.354 . . . . 0.0 112.61 175.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -71.11 -34.57 71.22 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.475 1.91 . . . . 0.0 111.427 175.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 59.7 m95 -113.4 145.22 41.48 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.107 1.763 . . . . 0.0 111.195 170.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.6 m0 -119.2 164.08 16.12 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 126.258 1.823 . . . . 0.0 112.202 -178.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -102.34 120.38 40.39 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 126.196 1.798 . . . . 0.0 108.378 165.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 17.7 m -139.81 173.71 10.25 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.376 0 C-N-CA 124.761 1.224 . . . . 0.0 112.042 -170.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -143.17 134.32 25.79 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 127.291 2.237 . . . . 0.0 109.776 174.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.0 t -79.61 141.43 36.54 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 122.137 0.97 . . . . 0.0 112.185 171.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 72.6 mt -87.53 8.66 23.99 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 126.54 1.936 . . . . 0.0 113.721 177.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 59.1 p -78.2 -51.44 10.2 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.093 1.357 . . . . 0.0 110.317 170.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 36.8 p -121.14 -29.52 4.52 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 126.989 2.115 . . . . 0.0 113.812 -170.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 91.77 3.98 67.94 Favored Glycine 0 CA--C 1.539 1.586 0 C-N-CA 125.587 1.565 . . . . 0.0 113.937 -161.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -60.55 137.22 58.19 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.89 1.276 . . . . 0.0 111.026 177.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 86.3 m -124.42 147.47 48.25 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 126.726 2.01 . . . . 0.0 110.54 -164.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.63 -156.57 28.1 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 125.494 1.521 . . . . 0.0 113.373 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 66.7 m-85 -100.62 150.75 22.4 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.91 0.884 . . . . 0.0 113.146 -175.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.4 pp -140.12 154.14 69.89 Favored Pre-proline 0 N--CA 1.475 0.796 0 C-N-CA 125.69 1.596 . . . . 0.0 110.454 171.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -81.46 121.37 3.8 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.67 2.247 . . . . 0.0 108.137 167.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 17.6 p -54.38 -40.13 80.25 Favored Pre-proline 0 CA--C 1.539 0.557 0 CA-C-O 115.841 -2.028 . . . . 0.0 115.328 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_endo -70.43 -8.46 23.65 Favored 'Trans proline' 0 C--N 1.359 1.097 0 CA-C-N 123.18 2.171 . . . . 0.0 113.449 -172.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -118.9 3.93 11.51 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.604 1.561 . . . . 0.0 112.663 178.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 31.4 tp -97.53 -44.87 6.64 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 122.903 0.481 . . . . 0.0 110.845 154.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 0.778 0 C-N-CA 127.274 2.23 . . . . 0.0 114.349 179.316 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.476 0.869 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 11.5 t -170.28 158.56 6.78 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 127.032 2.133 . . . . 0.0 110.448 -176.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -88.21 174.58 8.13 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.104 1.362 . . . . 0.0 112.046 177.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -166.55 142.69 4.68 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 126.357 1.863 . . . . 0.0 111.175 178.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -117.59 130.5 56.43 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 124.325 1.05 . . . . 0.0 109.701 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.19 127.58 31.9 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 125.169 1.388 . . . . 0.0 110.761 176.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 75.1 mt -81.93 -17.34 47.44 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 177.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -144.01 170.01 16.74 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 124.946 1.299 . . . . 0.0 112.784 -170.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -90.2 148.89 22.66 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.015 0.926 . . . . 0.0 111.651 177.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 48.7 t80 -156.35 165.68 35.65 Favored 'General case' 0 CA--C 1.55 0.958 0 C-N-CA 125.844 1.658 . . . . 0.0 113.032 -166.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -151.69 121.87 7.21 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.975 1.31 . . . . 0.0 110.498 177.141 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -56.98 139.94 50.44 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.889 1.675 . . . . 0.0 114.379 -171.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.5 mmp_? -97.08 -31.06 12.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.68 1.592 . . . . 0.0 113.859 -167.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.1 p -113.78 -146.71 0.41 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 126.907 2.083 . . . . 0.0 109.53 -177.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -110.88 -1.49 16.46 Favored 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 126.632 1.973 . . . . 0.0 112.138 174.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -126.64 -19.68 4.49 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.696 1.598 . . . . 0.0 114.511 -169.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -84.78 169.66 13.98 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.572 0.749 . . . . 0.0 111.957 167.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.6 mt -126.9 148.11 50.04 Favored 'General case' 0 N--CA 1.461 0.121 0 C-N-CA 124.476 1.11 . . . . 0.0 111.501 -162.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.3 m -100.15 150.04 22.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.016 -0.993 . . . . 0.0 111.852 -177.109 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -152.54 167.3 29.29 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-O 123.166 1.46 . . . . 0.0 112.594 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -123.35 160.63 26.34 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 125.219 1.408 . . . . 0.0 107.328 166.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 21.5 pttm -50.95 130.27 25.12 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.749 0.82 . . . . 0.0 111.162 171.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.09 -8.4 78.4 Favored Glycine 0 CA--C 1.535 1.283 0 C-N-CA 125.556 1.551 . . . . 0.0 114.776 -174.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -68.33 143.59 55.12 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 119.916 1.858 . . . . 0.0 110.947 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.7 mttm -118.99 126.29 51.38 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.953 0.882 . . . . 0.0 112.623 -160.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -124.84 170.31 11.18 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 126.352 1.861 . . . . 0.0 110.811 178.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -126.17 149.7 48.81 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 126.601 1.96 . . . . 0.0 108.726 166.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 16.7 mm -97.88 112.47 30.02 Favored 'Isoleucine or valine' 0 C--O 1.239 0.535 0 C-N-CA 124.523 1.129 . . . . 0.0 108.553 -177.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.2 mt -77.0 -43.18 35.74 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.042 1.337 . . . . 0.0 110.205 174.581 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 61.9 t30 -166.58 149.55 6.87 Favored 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 126.118 1.767 . . . . 0.0 112.651 178.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -93.86 48.2 1.26 Allowed 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.385 2.274 . . . . 0.0 112.884 -172.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 2.3 m -76.38 -50.44 14.21 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 114.946 1.461 . . . . 0.0 114.946 -138.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -90.32 -2.93 58.03 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.125 0.97 . . . . 0.0 110.877 172.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 73.7 -49.05 1.65 Allowed Glycine 0 CA--C 1.532 1.103 0 C-N-CA 127.533 2.492 . . . . 0.0 113.095 -175.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -84.99 -26.02 27.38 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.998 2.519 . . . . 0.0 112.502 177.099 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.2 m95 -132.76 118.2 18.75 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 125.244 1.418 . . . . 0.0 110.128 172.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . . . . . . . . . 54.3 m0 -98.35 148.65 23.45 Favored 'General case' 0 N--CA 1.465 0.31 0 C-N-CA 124.126 0.97 . . . . 0.0 112.759 -176.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -81.15 114.85 20.26 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 166.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 m -125.87 172.87 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 125.938 1.695 . . . . 0.0 111.126 -176.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -144.9 136.1 25.05 Favored 'General case' 0 N--CA 1.45 -0.45 0 C-N-CA 126.553 1.941 . . . . 0.0 107.417 170.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 p -67.51 143.51 56.14 Favored 'General case' 0 C--N 1.314 -0.953 0 O-C-N 120.407 -1.433 . . . . 0.0 111.019 173.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 32.7 tp -78.44 -41.07 33.87 Favored 'General case' 0 CA--C 1.538 0.516 0 O-C-N 121.366 -0.834 . . . . 0.0 111.186 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 18.2 m -53.81 -45.71 70.87 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 127.461 2.305 . . . . 0.0 113.513 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.1 p -121.29 -39.09 2.71 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.211 1.404 . . . . 0.0 114.315 -174.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 93.2 23.77 23.83 Favored Glycine 0 CA--C 1.536 1.381 0 C-N-CA 124.672 1.13 . . . . 0.0 114.185 -169.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -74.1 134.98 42.93 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.704 1.201 . . . . 0.0 109.501 168.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 36.1 m -106.97 149.69 27.26 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.258 1.423 . . . . 0.0 110.212 -177.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.02 -151.45 19.9 Favored Glycine 0 CA--C 1.526 0.732 0 C-N-CA 124.808 1.194 . . . . 0.0 113.72 174.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -109.38 169.83 8.44 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 126.043 1.737 . . . . 0.0 113.075 -178.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 2.2 pp -156.5 156.74 30.47 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 127.035 2.134 . . . . 0.0 109.545 174.203 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 94.4 Cg_endo -79.44 101.85 1.44 Allowed 'Trans proline' 0 C--N 1.349 0.593 0 C-N-CA 123.246 2.631 . . . . 0.0 109.965 170.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.0 m -58.66 -42.77 96.13 Favored Pre-proline 0 CA--C 1.543 0.701 0 C-N-CA 126.379 1.872 . . . . 0.0 114.467 -174.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_exo -62.2 -22.97 75.03 Favored 'Trans proline' 0 C--N 1.356 0.964 0 C-N-CA 123.163 2.575 . . . . 0.0 115.192 175.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -101.95 -37.19 8.33 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.866 0.866 . . . . 0.0 112.811 -174.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 24.6 tp -52.06 -46.61 65.18 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 124.721 1.208 . . . . 0.0 110.912 168.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.855 0 C-N-CA 127.008 2.123 . . . . 0.0 114.338 176.103 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 113.141 0.793 . . . . 0.0 113.141 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 15.8 p -64.83 141.04 58.91 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 127.42 2.288 . . . . 0.0 111.459 174.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 pp -92.19 169.37 10.67 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.935 0.894 . . . . 0.0 112.565 167.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -165.96 156.47 12.93 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 127.665 2.386 . . . . 0.0 110.467 171.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -106.53 147.56 29.26 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 123.69 0.796 . . . . 0.0 110.533 177.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.73 117.27 7.23 Favored 'General case' 0 N--CA 1.45 -0.452 0 C-N-CA 125.249 1.419 . . . . 0.0 111.263 176.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.83 -26.58 54.52 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.487 1.515 . . . . 0.0 111.778 178.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TYR . . . . . . . . . . . . . 39.8 p90 -161.03 155.4 23.14 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 126.38 1.872 . . . . 0.0 111.644 -178.207 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -71.04 152.27 43.71 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 124.689 1.195 . . . . 0.0 112.435 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -156.48 159.58 38.76 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.493 1.517 . . . . 0.0 111.473 -170.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -155.29 121.11 5.08 Favored 'General case' 0 C--O 1.237 0.397 0 C-N-CA 124.679 1.192 . . . . 0.0 109.168 -173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -57.89 121.54 10.78 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.732 1.613 . . . . 0.0 114.618 -159.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -77.02 -23.82 52.16 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 126.001 1.72 . . . . 0.0 113.525 -170.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.3 p -110.89 -33.35 6.54 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.6 1.56 . . . . 0.0 112.431 170.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 96.34 -7.78 0.08 Allowed 'General case' 0 N--CA 1.48 1.062 0 C-N-CA 130.679 3.592 . . . . 0.0 112.588 -176.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -81.56 -22.92 37.5 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 124.911 1.285 . . . . 0.0 112.101 164.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -79.3 167.4 20.97 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 127.033 2.133 . . . . 0.0 112.511 170.041 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.0 tp -111.61 127.46 55.75 Favored 'General case' 0 N--CA 1.464 0.238 0 C-N-CA 125.457 1.503 . . . . 0.0 111.085 -170.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.8 m -82.91 150.69 26.33 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 126.284 1.834 . . . . 0.0 112.563 176.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -140.52 160.84 39.12 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 122.409 1.1 . . . . 0.0 112.693 -175.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 16.2 t60 -122.79 145.93 47.98 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 126.268 1.827 . . . . 0.0 108.011 175.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 9.0 ptpp? -50.28 133.95 23.41 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-O 121.899 0.856 . . . . 0.0 112.313 -179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.4 -3.31 54.41 Favored Glycine 0 CA--C 1.534 1.271 0 CA-C-O 118.165 -1.353 . . . . 0.0 115.7 179.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.9 mm-40 -66.14 143.78 57.07 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 119.931 1.866 . . . . 0.0 110.536 171.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -105.72 140.23 39.09 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.519 0.728 . . . . 0.0 111.407 -174.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 41.0 p90 -141.43 165.33 27.81 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 124.952 1.301 . . . . 0.0 112.269 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 56.7 tt0 -125.61 137.9 53.91 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 127.587 2.355 . . . . 0.0 108.538 177.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 43.4 mm -87.81 125.91 41.35 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 C-N-CA 123.481 0.713 . . . . 0.0 109.118 171.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 78.9 mt -93.76 -35.47 12.76 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 127.088 2.155 . . . . 0.0 111.971 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 37.4 t30 -157.84 129.76 6.97 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.965 1.306 . . . . 0.0 112.733 176.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.402 ' HA ' ' CD1' ' A' ' 37' ' ' TRP . 13.1 p -115.04 -3.91 12.57 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.911 2.485 . . . . 0.0 113.87 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 29.0 m -69.07 -14.87 63.27 Favored 'General case' 0 N--CA 1.479 1.004 0 O-C-N 120.308 -1.495 . . . . 0.0 114.259 -172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -72.9 -14.61 61.51 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 123.704 0.802 . . . . 0.0 112.85 168.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 77.97 -51.58 3.52 Favored Glycine 0 N--CA 1.472 1.095 0 C-N-CA 127.379 2.419 . . . . 0.0 115.33 165.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -90.93 -42.23 10.7 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 126.166 1.786 . . . . 0.0 111.662 -175.811 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.2 m95 -119.23 131.82 55.85 Favored 'General case' 0 N--CA 1.466 0.374 0 C-N-CA 125.781 1.632 . . . . 0.0 110.603 171.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TRP . . . . . 0.402 ' CD1' ' HA ' ' A' ' 31' ' ' SER . 49.8 m0 -115.8 144.89 43.36 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 125.172 1.389 . . . . 0.0 111.881 -178.326 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -83.48 126.27 32.6 Favored 'General case' 0 CA--C 1.531 0.223 0 C-N-CA 125.608 1.563 . . . . 0.0 110.06 176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 11.6 p -132.85 156.45 42.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 C-N-CA 126.323 1.849 . . . . 0.0 110.561 -170.468 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -133.83 137.23 44.93 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 124.552 1.141 . . . . 0.0 110.303 157.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.2 t -72.01 145.52 48.28 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.937 0.875 . . . . 0.0 110.594 163.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 89.1 mt -101.61 -29.85 11.7 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 126.752 2.021 . . . . 0.0 112.224 -171.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 24.3 p -62.7 -45.94 90.43 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 127.98 2.512 . . . . 0.0 111.945 177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.2 p -122.23 -4.11 8.95 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 127.929 2.492 . . . . 0.0 114.013 -172.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 73.92 1.28 58.86 Favored Glycine 0 CA--C 1.54 1.643 0 N-CA-C 116.479 1.352 . . . . 0.0 116.479 -177.039 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -70.71 135.38 48.25 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 119.526 1.663 . . . . 0.0 112.307 -173.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 73.9 m -117.18 150.37 38.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 125.877 1.671 . . . . 0.0 110.667 -171.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.19 -148.69 9.7 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.789 1.185 . . . . 0.0 113.659 172.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -118.98 149.53 41.47 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.26 1.424 . . . . 0.0 112.49 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 13.0 pt -134.47 146.85 61.0 Favored Pre-proline 0 N--CA 1.47 0.543 0 C-N-CA 124.652 1.181 . . . . 0.0 111.781 169.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 64.3 Cg_endo -66.64 131.8 27.06 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.763 2.309 . . . . 0.0 108.635 170.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.5 p -58.74 -36.42 43.03 Favored Pre-proline 0 CA--C 1.544 0.725 0 N-CA-C 116.907 2.188 . . . . 0.0 116.907 -175.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -72.13 -9.06 23.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 CA-C-N 122.686 1.995 . . . . 0.0 112.746 -172.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.1 t80 -42.12 -45.84 4.12 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.782 166.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -119.4 -23.13 6.77 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.768 1.627 . . . . 0.0 113.841 178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 0.837 0 N-CA-C 114.51 1.3 . . . . 0.0 114.51 178.217 . . . . . . . . 0 0 . 1 stop_ save_