data_2fz5_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 2fz5 _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 full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.8 p -119.6 123.25 70.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 112.268 -2.242 . . . . 0.0 113.817 -172.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -97.51 106.09 18.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.651 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt -93.01 103.55 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.248 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -107.61 110.13 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 113.449 -1.705 . . . . 0.0 109.573 -178.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 32.8 p90 -121.3 147.52 45.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -174.091 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -113.55 116.42 29.52 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.39 -1.732 . . . . 0.0 108.111 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -124.0 112.67 17.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.968 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.14 -63.79 1.84 Allowed Glycine 0 CA--C 1.538 1.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.7 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -113.83 48.61 1.06 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 72.43 -29.86 0.7 Allowed Glycine 0 N--CA 1.492 2.424 0 C-N-CA 125.192 1.377 . . . . 0.0 116.512 177.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -37.74 -66.62 0.24 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.189 2.596 . . . . 0.0 116.119 -174.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.37 -55.06 35.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.917 0.76 . . . . 0.0 110.387 170.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.85 80.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.471 0.708 . . . . 0.0 112.71 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -51.46 69.9 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.088 0.955 . . . . 0.0 112.407 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.25 78.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.158 0.983 . . . . 0.0 112.615 173.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -60.43 -40.04 89.62 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.58 -48.33 77.87 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.982 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.6 mt -55.91 -50.49 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.486 1.114 . . . . 0.0 111.81 172.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -50.31 -47.27 55.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.67 94.74 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.764 1.29 . . . . 0.0 113.111 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.57 -33.32 73.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 174.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.88 -50.82 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.757 0.823 . . . . 0.0 109.953 172.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.41 -38.51 84.25 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.2 63.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.79 24.87 8.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.76 34.97 65.77 Favored Glycine 0 N--CA 1.479 1.512 0 C-N-CA 125.904 1.716 . . . . 0.0 116.534 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.17 138.21 43.77 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 122.378 1.085 . . . . 0.0 113.225 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.62 126.21 29.05 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 112.658 -2.064 . . . . 0.0 111.969 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 9.7 p -124.36 136.5 60.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.532 -174.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -124.72 98.05 5.55 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.86 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.8 p -106.72 119.11 38.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.804 1.288 . . . . 0.0 113.645 -178.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 1.2 m -137.99 166.62 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 110.175 -3.193 . . . . 0.0 109.838 -171.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -95.44 144.24 26.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 111.942 -2.39 . . . . 0.0 110.596 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -41.82 -39.04 1.66 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.81 -26.27 68.0 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 175.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.88 70.73 1.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.173 0.987 . . . . 0.0 112.102 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.2 t -159.89 178.31 9.89 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 112.361 -2.2 . . . . 0.0 109.367 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 22.3 t-20 -166.42 145.78 5.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 109.63 -171.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.2 p -50.63 -37.47 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.6 -36.89 77.17 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -69.44 -46.22 67.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.792 . . . . 0.0 110.498 177.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 53.6 t -56.78 -42.31 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.781 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.69 -34.38 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.8 t -75.41 -13.86 60.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -112.21 120.94 43.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.808 0.843 . . . . 0.0 110.713 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.14 -30.94 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.49 -1.686 . . . . 0.0 113.997 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 2.5 p -126.42 131.09 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.276 1.036 . . . . 0.0 110.178 178.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 3.9 mp -125.41 142.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 113.132 -1.849 . . . . 0.0 107.848 -177.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.4 mp -125.25 135.24 52.33 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.275 172.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 mt -112.93 130.94 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.805 1.315 . . . . 0.0 110.593 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -118.03 107.51 1.5 Allowed Glycine 0 CA--C 1.527 0.825 0 O-C-N 124.665 1.228 . . . . 0.0 113.145 -175.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.7 t -143.54 119.32 6.41 Favored Pre-proline 0 N--CA 1.472 0.662 0 O-C-N 124.087 0.522 . . . . 0.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -73.95 164.66 33.97 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.45 2.1 . . . . 0.0 112.761 173.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.98 122.59 24.42 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.09 -1.414 . . . . 0.0 111.209 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -121.32 160.38 24.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.561 -1.654 . . . . 0.0 114.403 -177.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 55.13 -111.97 2.61 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 126.043 1.782 . . . . 0.0 110.095 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.4 p -122.57 87.15 2.7 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 123.858 1.789 . . . . 0.0 111.283 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 50.49 61.71 3.07 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-N 108.314 -4.039 . . . . 0.0 114.869 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.72 169.11 17.83 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 15.9 mt -72.27 160.68 32.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 112.611 -2.086 . . . . 0.0 112.53 167.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -79.25 97.41 6.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.681 -178.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -52.27 -53.9 38.08 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.52 2.415 . . . . 0.0 117.52 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 p -72.35 -13.74 61.55 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -169.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.38 -59.74 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 117.978 0.354 . . . . 0.0 111.032 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.16 -43.31 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 117.678 -1.153 . . . . 0.0 113.602 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.261 1.6 mp0 -69.29 -42.25 20.44 Favored Pre-proline 0 N--CA 1.481 1.096 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.92 -40.5 71.12 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.877 2.385 . . . . 0.0 113.78 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.28 -41.21 70.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 119.293 -0.963 . . . . 0.0 113.033 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -53.51 -45.06 69.56 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.5 p -64.0 -42.26 97.23 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.18 -41.25 92.49 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.573 1.149 . . . . 0.0 112.254 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 52.5 tp -67.48 -41.82 83.96 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.79 1.636 . . . . 0.0 115.076 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.25 -47.63 6.07 Favored Pre-proline 0 CA--C 1.555 1.148 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -175.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -56.46 -33.12 91.5 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 120.757 1.306 . . . . 0.0 115.221 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -108.25 21.93 16.65 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.4 tp -107.44 59.95 0.62 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 122.405 1.098 . . . . 0.0 108.963 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -126.71 128.71 47.1 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 112.661 -2.063 . . . . 0.0 110.279 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.38 -46.02 2.71 Favored Glycine 0 CA--C 1.537 1.456 0 O-C-N 125.198 1.561 . . . . 0.0 113.131 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -49.43 152.19 1.37 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -89.58 112.17 23.31 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.066 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.6 p -120.32 113.62 40.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.664 -178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.02 143.74 16.86 Favored Glycine 0 N--CA 1.478 1.445 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.549 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.98 123.2 45.17 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.665 -172.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -131.7 130.39 41.93 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -149.74 149.38 21.3 Favored Glycine 0 C--O 1.252 1.244 0 CA-C-N 113.533 -1.667 . . . . 0.0 115.527 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -101.93 138.85 38.35 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 112.736 -1.732 . . . . 0.0 109.088 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -127.49 160.55 31.15 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 113.964 -1.471 . . . . 0.0 111.641 170.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . -100.19 -74.2 1.1 Allowed Glycine 0 CA--C 1.542 1.727 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.953 175.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -111.34 -12.84 14.01 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 119.848 3.277 . . . . 0.0 119.848 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.44 128.93 4.67 Favored Glycine 0 C--O 1.215 -1.085 0 N-CA-C 106.163 -2.775 . . . . 0.0 106.163 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -112.71 155.85 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.428 1.311 . . . . 0.0 111.264 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.24 -67.25 1.21 Allowed Glycine 0 N--CA 1.478 1.47 0 CA-C-N 112.709 -2.041 . . . . 0.0 114.55 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -39.06 -58.86 1.07 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 117.484 2.401 . . . . 0.0 117.484 -170.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -54.39 -42.14 70.05 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 125.234 1.584 . . . . 0.0 112.009 179.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.0 tpp -69.26 -38.9 78.63 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.127 1.771 . . . . 0.0 112.391 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.72 -49.61 76.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.71 97.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.67 1.231 . . . . 0.0 111.656 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TRP . . . . . . . . . . . . . 6.2 t90 -61.18 -47.48 85.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.382 1.473 . . . . 0.0 112.636 174.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.21 -46.22 90.51 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -55.01 -51.97 64.6 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.605 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -67.68 -34.21 76.46 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.3 p -76.02 -41.64 50.41 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 121.256 0.551 . . . . 0.0 112.486 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.6 tp10 -59.59 -46.25 89.5 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.712 168.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -58.93 -27.7 65.55 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.5 p -74.38 1.48 11.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 94.58 19.27 32.68 Favored Glycine 0 N--CA 1.478 1.468 0 C-N-CA 125.246 1.403 . . . . 0.0 113.985 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -110.36 159.82 17.11 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.237 1.015 . . . . 0.0 110.567 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.6 t -114.5 144.6 43.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.119 0.961 . . . . 0.0 111.456 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.1 t -94.16 108.44 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.548 -170.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.259 6.7 tp -90.64 53.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-O 125.553 2.596 . . . . 0.0 112.534 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.99 155.9 31.74 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 109.725 -3.398 . . . . 0.0 114.235 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.7 p -125.06 117.9 24.97 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 112.016 -2.092 . . . . 0.0 110.516 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -107.82 112.12 24.61 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.623 1.202 . . . . 0.0 112.116 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 10.5 pt -114.01 123.91 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.691 178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' VAL . . . . . . . . . . . . 0.25 0.4 OUTLIER -126.55 140.59 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.347 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.36 85.16 1.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.24 -2.255 . . . . 0.0 108.752 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.31 -73.62 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.417 -2.174 . . . . 0.0 114.088 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.5 mmt -93.08 140.65 23.41 Favored Pre-proline 0 C--N 1.318 -0.783 0 C-N-CA 125.99 1.716 . . . . 0.0 111.956 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.04 -177.13 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 122.274 1.983 . . . . 0.0 111.764 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 72.66 -37.11 0.38 Allowed 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -61.43 -12.63 15.31 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -133.5 110.89 12.55 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.766 171.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.67 -19.69 25.0 Favored 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 123.333 2.689 . . . . 0.0 113.507 172.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -39.49 -41.76 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.5 m -58.09 -50.15 74.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.707 0.803 . . . . 0.0 111.036 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -64.22 -42.27 96.65 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.671 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.84 -48.6 69.8 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.352 -1.295 . . . . 0.0 113.286 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.92 -39.95 83.12 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.544 1.152 . . . . 0.0 113.305 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLY . . . . . . . . . . . . . . . -56.3 -54.3 36.78 Favored Glycine 0 CA--C 1.544 1.865 0 O-C-N 124.231 0.957 . . . . 0.0 112.824 173.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.86 -49.56 73.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.494 -1.353 . . . . 0.0 112.53 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.55 88.32 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.5 92.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.207 1.003 . . . . 0.0 113.548 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ALA . . . . . . . . . . . . . . . -56.65 -37.49 70.84 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.486 0.714 . . . . 0.0 112.803 170.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -97.54 23.35 7.8 Favored 'General case' 0 C--O 1.187 -2.187 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.741 0 CA-C-N 112.638 -2.074 . . . . 0.0 115.369 -176.116 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' FNR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.506 ' HB ' HG13 ' A' ' 49' ' ' VAL . 8.8 p -119.6 123.25 70.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 112.268 -2.242 . . . . 0.0 113.817 -172.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -97.51 106.09 18.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.651 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt -93.01 103.55 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.248 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.745 HG11 HG21 ' A' ' 39' ' ' THR . 0.0 OUTLIER -107.61 110.13 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 113.449 -1.705 . . . . 0.0 109.573 -178.404 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . 0.555 ' HE2' ' HB2' ' A' ' 33' ' ' SER . 32.8 p90 -121.3 147.52 45.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -174.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -113.55 116.42 29.52 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.39 -1.732 . . . . 0.0 108.111 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -124.0 112.67 17.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.968 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.14 -63.79 1.84 Allowed Glycine 0 CA--C 1.538 1.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.7 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -113.83 48.61 1.06 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 14' ' ' GLU . . . 72.43 -29.86 0.7 Allowed Glycine 0 N--CA 1.492 2.424 0 C-N-CA 125.192 1.377 . . . . 0.0 116.512 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -37.74 -66.62 0.24 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.189 2.596 . . . . 0.0 116.119 -174.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -61.37 -55.06 35.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.917 0.76 . . . . 0.0 110.387 170.144 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.85 80.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.471 0.708 . . . . 0.0 112.71 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -51.46 69.9 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.088 0.955 . . . . 0.0 112.407 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.25 78.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.158 0.983 . . . . 0.0 112.615 173.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -60.43 -40.04 89.62 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.58 -48.33 77.87 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.982 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.432 HG21 HD22 ' A' ' 51' ' ' LEU . 71.6 mt -55.91 -50.49 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.486 1.114 . . . . 0.0 111.81 172.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG2' HG21 ' A' ' 31' ' ' VAL . 13.3 mt-10 -50.31 -47.27 55.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 175.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.67 94.74 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.764 1.29 . . . . 0.0 113.111 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' HA3' ' A' ' 131' ' ' GLY . . . -68.57 -33.32 73.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 174.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.63 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 71.0 t -65.88 -50.82 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.757 0.823 . . . . 0.0 109.953 172.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.41 -38.51 84.25 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.2 63.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.79 24.87 8.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.76 34.97 65.77 Favored Glycine 0 N--CA 1.479 1.512 0 C-N-CA 125.904 1.716 . . . . 0.0 116.534 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.17 138.21 43.77 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 122.378 1.085 . . . . 0.0 113.225 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.62 126.21 29.05 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 112.658 -2.064 . . . . 0.0 111.969 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG23 HG13 ' A' ' 2' ' ' VAL . 9.7 p -124.36 136.5 60.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.532 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -124.72 98.05 5.55 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.86 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.555 ' HB2' ' HE2' ' A' ' 6' ' ' TYR . 18.8 p -106.72 119.11 38.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.804 1.288 . . . . 0.0 113.645 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.688 HG23 HG13 ' A' ' 5' ' ' VAL . 1.2 m -137.99 166.62 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 110.175 -3.193 . . . . 0.0 109.838 -171.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -95.44 144.24 26.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 111.942 -2.39 . . . . 0.0 110.596 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -41.82 -39.04 1.66 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.81 -26.27 68.0 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 175.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.88 70.73 1.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.173 0.987 . . . . 0.0 112.102 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.745 HG21 HG11 ' A' ' 5' ' ' VAL . 9.2 t -159.89 178.31 9.89 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 112.361 -2.2 . . . . 0.0 109.367 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.476 ' HB3' ' OD1' ' A' ' 43' ' ' ASP . 22.3 t-20 -166.42 145.78 5.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 109.63 -171.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.2 p -50.63 -37.47 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.6 -36.89 77.17 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' A' ' 40' ' ' ASN . 6.5 m-20 -69.44 -46.22 67.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.792 . . . . 0.0 110.498 177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.717 HG13 HG12 ' A' ' 50' ' ' ILE . 53.6 t -56.78 -42.31 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.781 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.69 -34.38 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.8 t -75.41 -13.86 60.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -112.21 120.94 43.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.808 0.843 . . . . 0.0 110.713 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.14 -30.94 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.49 -1.686 . . . . 0.0 113.997 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.506 HG13 ' HB ' ' A' ' 2' ' ' VAL . 2.5 p -126.42 131.09 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.276 1.036 . . . . 0.0 110.178 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ILE . . . . . 0.717 HG12 HG13 ' A' ' 44' ' ' VAL . 3.9 mp -125.41 142.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 113.132 -1.849 . . . . 0.0 107.848 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD22 HG21 ' A' ' 20' ' ' ILE . 4.4 mp -125.25 135.24 52.33 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.275 172.112 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 mt -112.93 130.94 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.805 1.315 . . . . 0.0 110.593 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 86' ' ' PHE . . . -118.03 107.51 1.5 Allowed Glycine 0 CA--C 1.527 0.825 0 O-C-N 124.665 1.228 . . . . 0.0 113.145 -175.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.7 t -143.54 119.32 6.41 Favored Pre-proline 0 N--CA 1.472 0.662 0 O-C-N 124.087 0.522 . . . . 0.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -73.95 164.66 33.97 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.45 2.1 . . . . 0.0 112.761 173.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.98 122.59 24.42 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.09 -1.414 . . . . 0.0 111.209 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.611 ' SD ' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -121.32 160.38 24.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.561 -1.654 . . . . 0.0 114.403 -177.522 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 55.13 -111.97 2.61 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 126.043 1.782 . . . . 0.0 110.095 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.4 p -122.57 87.15 2.7 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 123.858 1.789 . . . . 0.0 111.283 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 50.49 61.71 3.07 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-N 108.314 -4.039 . . . . 0.0 114.869 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.72 169.11 17.83 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 100' ' ' TRP . 15.9 mt -72.27 160.68 32.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 112.611 -2.086 . . . . 0.0 112.53 167.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.611 ' HG2' ' SD ' ' A' ' 57' ' ' MET . 3.5 tm-20 -79.25 97.41 6.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.681 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -52.27 -53.9 38.08 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.52 2.415 . . . . 0.0 117.52 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 p -72.35 -13.74 61.55 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -169.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.38 -59.74 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 117.978 0.354 . . . . 0.0 111.032 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.16 -43.31 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 117.678 -1.153 . . . . 0.0 113.602 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.261 1.6 mp0 -69.29 -42.25 20.44 Favored Pre-proline 0 N--CA 1.481 1.096 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.92 -40.5 71.12 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.877 2.385 . . . . 0.0 113.78 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.28 -41.21 70.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 119.293 -0.963 . . . . 0.0 113.033 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -53.51 -45.06 69.56 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.5 p -64.0 -42.26 97.23 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.18 -41.25 92.49 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.573 1.149 . . . . 0.0 112.254 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.635 HD11 HG11 ' A' ' 44' ' ' VAL . 52.5 tp -67.48 -41.82 83.96 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.79 1.636 . . . . 0.0 115.076 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.25 -47.63 6.07 Favored Pre-proline 0 CA--C 1.555 1.148 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -175.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -56.46 -33.12 91.5 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 120.757 1.306 . . . . 0.0 115.221 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.661 ' O ' ' HE3' ' A' ' 81' ' ' LYS . 80.5 mttt -108.25 21.93 16.65 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.4 tp -107.44 59.95 0.62 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 122.405 1.098 . . . . 0.0 108.963 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -126.71 128.71 47.1 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 112.661 -2.063 . . . . 0.0 110.279 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.38 -46.02 2.71 Favored Glycine 0 CA--C 1.537 1.456 0 O-C-N 125.198 1.561 . . . . 0.0 113.131 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.661 ' HE3' ' O ' ' A' ' 77' ' ' LYS . 11.2 mttm -49.43 152.19 1.37 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -89.58 112.17 23.31 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.066 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 111' ' ' VAL . 14.6 p -120.32 113.62 40.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.664 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.02 143.74 16.86 Favored Glycine 0 N--CA 1.478 1.445 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.549 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.98 123.2 45.17 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.665 -172.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.491 ' O ' ' HA2' ' A' ' 53' ' ' GLY . 48.6 p90 -131.7 130.39 41.93 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.521 ' HA3' ' HZ2' ' A' ' 96' ' ' TRP . . . -149.74 149.38 21.3 Favored Glycine 0 C--O 1.252 1.244 0 CA-C-N 113.533 -1.667 . . . . 0.0 115.527 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -101.93 138.85 38.35 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 112.736 -1.732 . . . . 0.0 109.088 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' HE2' ' HB ' ' A' ' 116' ' ' ILE . 54.6 p90 -127.49 160.55 31.15 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 113.964 -1.471 . . . . 0.0 111.641 170.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . 0.491 ' H ' ' HN1' ' A' ' 138' ' ' FNR . . . -100.19 -74.2 1.1 Allowed Glycine 0 CA--C 1.542 1.727 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.953 175.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -111.34 -12.84 14.01 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 119.848 3.277 . . . . 0.0 119.848 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.44 128.93 4.67 Favored Glycine 0 C--O 1.215 -1.085 0 N-CA-C 106.163 -2.775 . . . . 0.0 106.163 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -112.71 155.85 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.428 1.311 . . . . 0.0 111.264 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.24 -67.25 1.21 Allowed Glycine 0 N--CA 1.478 1.47 0 CA-C-N 112.709 -2.041 . . . . 0.0 114.55 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -39.06 -58.86 1.07 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 117.484 2.401 . . . . 0.0 117.484 -170.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' TRP . . . . . 0.521 ' HZ2' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -54.39 -42.14 70.05 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 125.234 1.584 . . . . 0.0 112.009 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.0 tpp -69.26 -38.9 78.63 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.127 1.771 . . . . 0.0 112.391 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.72 -49.61 76.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.71 97.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.67 1.231 . . . . 0.0 111.656 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TRP . . . . . 0.497 ' CD2' HD21 ' A' ' 62' ' ' LEU . 6.2 t90 -61.18 -47.48 85.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.382 1.473 . . . . 0.0 112.636 174.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.21 -46.22 90.51 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -55.01 -51.97 64.6 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.605 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -67.68 -34.21 76.46 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.3 p -76.02 -41.64 50.41 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 121.256 0.551 . . . . 0.0 112.486 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 109' ' ' ALA . 25.6 tp10 -59.59 -46.25 89.5 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.712 168.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -58.93 -27.7 65.55 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.5 p -74.38 1.48 11.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 94.58 19.27 32.68 Favored Glycine 0 N--CA 1.478 1.468 0 C-N-CA 125.246 1.403 . . . . 0.0 113.985 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 105' ' ' GLU . . . -110.36 159.82 17.11 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.237 1.015 . . . . 0.0 110.567 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.6 t -114.5 144.6 43.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.119 0.961 . . . . 0.0 111.456 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 59.1 t -94.16 108.44 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.548 -170.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.259 6.7 tp -90.64 53.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-O 125.553 2.596 . . . . 0.0 112.534 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.99 155.9 31.74 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 109.725 -3.398 . . . . 0.0 114.235 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.7 p -125.06 117.9 24.97 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 112.016 -2.092 . . . . 0.0 110.516 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -107.82 112.12 24.61 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.623 1.202 . . . . 0.0 112.116 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.515 ' HB ' ' HE2' ' A' ' 89' ' ' TYR . 10.5 pt -114.01 123.91 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.691 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 124' ' ' ALA 0.25 0.4 OUTLIER -126.55 140.59 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.347 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.36 85.16 1.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.24 -2.255 . . . . 0.0 108.752 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.31 -73.62 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.417 -2.174 . . . . 0.0 114.088 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.5 mmt -93.08 140.65 23.41 Favored Pre-proline 0 C--N 1.318 -0.783 0 C-N-CA 125.99 1.716 . . . . 0.0 111.956 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.04 -177.13 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 122.274 1.983 . . . . 0.0 111.764 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 72.66 -37.11 0.38 Allowed 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -61.43 -12.63 15.31 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.542 ' HB3' HG23 ' A' ' 117' ' ' VAL . . . -133.5 110.89 12.55 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.766 171.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.67 -19.69 25.0 Favored 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 123.333 2.689 . . . . 0.0 113.507 172.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -39.49 -41.76 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.5 m -58.09 -50.15 74.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.707 0.803 . . . . 0.0 111.036 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -64.22 -42.27 96.65 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.671 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.84 -48.6 69.8 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.352 -1.295 . . . . 0.0 113.286 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.92 -39.95 83.12 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.544 1.152 . . . . 0.0 113.305 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 23' ' ' ALA . . . -56.3 -54.3 36.78 Favored Glycine 0 CA--C 1.544 1.865 0 O-C-N 124.231 0.957 . . . . 0.0 112.824 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.86 -49.56 73.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.494 -1.353 . . . . 0.0 112.53 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.55 88.32 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.5 92.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.207 1.003 . . . . 0.0 113.548 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -56.65 -37.49 70.84 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.486 0.714 . . . . 0.0 112.803 170.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -97.54 23.35 7.8 Favored 'General case' 0 C--O 1.187 -2.187 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.741 0 CA-C-N 112.638 -2.074 . . . . 0.0 115.369 -176.116 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 138' ' ' FNR . . . . . 0.491 ' HN1' ' H ' ' A' ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ttt . . . . . 0 CA--C 1.548 0.881 0 N-CA-C 114.059 1.133 . . . . 0.0 114.059 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.506 ' HB ' HG13 ' A' ' 49' ' ' VAL . 8.8 p -119.6 123.25 70.72 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 112.268 -2.242 . . . . 0.0 113.817 -172.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 52.0 tt0 -97.51 106.09 18.35 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 113.123 -1.853 . . . . 0.0 110.651 172.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 95.9 mt -93.01 103.55 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-N 113.734 -1.575 . . . . 0.0 108.248 177.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.745 HG11 HG21 ' A' ' 39' ' ' THR . 0.0 OUTLIER -107.61 110.13 30.74 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.446 0 CA-C-N 113.449 -1.705 . . . . 0.0 109.573 -178.404 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . 0.555 ' HE2' ' HB2' ' A' ' 33' ' ' SER . 32.8 p90 -121.3 147.52 45.55 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 -174.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TRP . . . . . . . . . . . . . 66.8 t90 -113.55 116.42 29.52 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 113.39 -1.732 . . . . 0.0 108.111 170.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 t -124.0 112.67 17.46 Favored 'General case' 0 N--CA 1.476 0.833 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.968 -175.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.14 -63.79 1.84 Allowed Glycine 0 CA--C 1.538 1.491 0 O-C-N 124.6 1.187 . . . . 0.0 110.7 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 20.7 p -113.83 48.61 1.06 Allowed 'General case' 0 N--CA 1.48 1.058 0 N-CA-C 113.33 0.863 . . . . 0.0 113.33 -173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 14' ' ' GLU . . . 72.43 -29.86 0.7 Allowed Glycine 0 N--CA 1.492 2.424 0 C-N-CA 125.192 1.377 . . . . 0.0 116.512 177.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 11.6 p-10 -37.74 -66.62 0.24 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 128.189 2.596 . . . . 0.0 116.119 -174.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.14 -27.98 68.44 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 115.644 1.72 . . . . 0.0 115.644 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.422 ' HB3' ' O ' ' A' ' 11' ' ' GLY . 0.4 OUTLIER -61.37 -55.06 35.85 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.917 0.76 . . . . 0.0 110.387 170.144 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.85 80.62 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.471 0.708 . . . . 0.0 112.71 178.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -51.46 69.9 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.088 0.955 . . . . 0.0 112.407 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.5 -42.25 78.02 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 124.158 0.983 . . . . 0.0 112.615 173.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -60.43 -40.04 89.62 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 114.271 1.211 . . . . 0.0 114.271 175.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.1 tt0 -63.58 -48.33 77.87 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 114.96 -1.018 . . . . 0.0 111.982 174.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.432 HG21 HD22 ' A' ' 51' ' ' LEU . 71.6 mt -55.91 -50.49 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 C-N-CA 124.486 1.114 . . . . 0.0 111.81 172.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.431 ' HG2' HG21 ' A' ' 31' ' ' VAL . 13.3 mt-10 -50.31 -47.27 55.7 Favored 'General case' 0 N--CA 1.489 1.52 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 175.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.49 -41.67 94.74 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.764 1.29 . . . . 0.0 113.111 177.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.57 ' HB3' ' HA3' ' A' ' 131' ' ' GLY . . . -68.57 -33.32 73.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 174.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.63 ' HA ' ' HB2' ' A' ' 135' ' ' ALA . 71.0 t -65.88 -50.82 67.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.757 0.823 . . . . 0.0 109.953 172.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -60.41 -38.51 84.25 Favored 'General case' 0 N--CA 1.484 1.234 0 N-CA-C 114.239 1.2 . . . . 0.0 114.239 179.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -55.38 -33.2 63.25 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -100.79 24.87 8.57 Favored 'General case' 0 CA--C 1.551 0.986 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 176.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 56.76 34.97 65.77 Favored Glycine 0 N--CA 1.479 1.512 0 C-N-CA 125.904 1.716 . . . . 0.0 116.534 174.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.17 138.21 43.77 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 122.378 1.085 . . . . 0.0 113.225 -178.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -69.62 126.21 29.05 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 112.658 -2.064 . . . . 0.0 111.969 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.434 HG23 HG13 ' A' ' 2' ' ' VAL . 9.7 p -124.36 136.5 60.31 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.75 0 CA-C-N 114.01 -1.45 . . . . 0.0 111.532 -174.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.2 mp0 -124.72 98.05 5.55 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.86 178.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.555 ' HB2' ' HE2' ' A' ' 6' ' ' TYR . 18.8 p -106.72 119.11 38.43 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-O 122.804 1.288 . . . . 0.0 113.645 -178.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.688 HG23 HG13 ' A' ' 5' ' ' VAL . 1.2 m -137.99 166.62 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-N 110.175 -3.193 . . . . 0.0 109.838 -171.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -95.44 144.24 26.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 111.942 -2.39 . . . . 0.0 110.596 176.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -41.82 -39.04 1.66 Allowed 'General case' 0 N--CA 1.477 0.876 0 N-CA-C 116.573 2.064 . . . . 0.0 116.573 173.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -61.81 -26.27 68.0 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.576 2.065 . . . . 0.0 116.576 175.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -129.88 70.73 1.43 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 122.173 0.987 . . . . 0.0 112.102 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.745 HG21 HG11 ' A' ' 5' ' ' VAL . 9.2 t -159.89 178.31 9.89 Favored 'General case' 0 N--CA 1.473 0.721 0 CA-C-N 112.361 -2.2 . . . . 0.0 109.367 177.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.476 ' HB3' ' OD1' ' A' ' 43' ' ' ASP . 22.3 t-20 -166.42 145.78 5.81 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 125.547 1.539 . . . . 0.0 109.63 -171.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.2 p -50.63 -37.47 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.967 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -59.6 -36.89 77.17 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.794 1.035 . . . . 0.0 113.794 174.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.476 ' OD1' ' HB3' ' A' ' 40' ' ' ASN . 6.5 m-20 -69.44 -46.22 67.26 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.681 0.792 . . . . 0.0 110.498 177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.717 HG13 HG12 ' A' ' 50' ' ' ILE . 53.6 t -56.78 -42.31 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 CA-C-N 114.067 -1.424 . . . . 0.0 111.781 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -49.69 -34.38 18.48 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 115.177 1.547 . . . . 0.0 115.177 178.065 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 30.8 t -75.41 -13.86 60.42 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 114.727 1.38 . . . . 0.0 114.727 178.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -112.21 120.94 43.49 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.808 0.843 . . . . 0.0 110.713 -175.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -64.14 -30.94 71.98 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 113.49 -1.686 . . . . 0.0 113.997 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.506 HG13 ' HB ' ' A' ' 2' ' ' VAL . 2.5 p -126.42 131.09 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-O 122.276 1.036 . . . . 0.0 110.178 178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ILE . . . . . 0.717 HG12 HG13 ' A' ' 44' ' ' VAL . 3.9 mp -125.41 142.88 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 CA-C-N 113.132 -1.849 . . . . 0.0 107.848 -177.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.432 HD22 HG21 ' A' ' 20' ' ' ILE . 4.4 mp -125.25 135.24 52.33 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.275 172.112 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 55.0 mt -112.93 130.94 55.94 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 124.805 1.315 . . . . 0.0 110.593 -176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.491 ' HA2' ' O ' ' A' ' 86' ' ' PHE . . . -118.03 107.51 1.5 Allowed Glycine 0 CA--C 1.527 0.825 0 O-C-N 124.665 1.228 . . . . 0.0 113.145 -175.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.7 t -143.54 119.32 6.41 Favored Pre-proline 0 N--CA 1.472 0.662 0 O-C-N 124.087 0.522 . . . . 0.0 111.804 -179.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -73.95 164.66 33.97 Favored 'Trans proline' 0 CA--C 1.533 0.428 0 C-N-CA 122.45 2.1 . . . . 0.0 112.761 173.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.98 122.59 24.42 Favored 'General case' 0 C--O 1.256 1.438 0 CA-C-N 114.09 -1.414 . . . . 0.0 111.209 179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.611 ' SD ' ' HG2' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -121.32 160.38 24.09 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-N 113.561 -1.654 . . . . 0.0 114.403 -177.522 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 55.13 -111.97 2.61 Favored Glycine 0 N--CA 1.473 1.147 0 C-N-CA 126.043 1.782 . . . . 0.0 110.095 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 79.4 p -122.57 87.15 2.7 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-O 123.858 1.789 . . . . 0.0 111.283 171.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 50.49 61.71 3.07 Favored 'General case' 0 N--CA 1.478 0.936 1 CA-C-N 108.314 -4.039 . . . . 0.0 114.869 -178.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -134.72 169.11 17.83 Favored 'General case' 0 C--N 1.314 -0.937 0 N-CA-C 115.77 1.767 . . . . 0.0 115.77 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.497 HD21 ' CD2' ' A' ' 100' ' ' TRP . 15.9 mt -72.27 160.68 32.0 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 112.611 -2.086 . . . . 0.0 112.53 167.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.611 ' HG2' ' SD ' ' A' ' 57' ' ' MET . 3.5 tm-20 -79.25 97.41 6.24 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 113.283 -1.78 . . . . 0.0 109.681 -178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -52.27 -53.9 38.08 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 117.52 2.415 . . . . 0.0 117.52 -169.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 12.0 p -72.35 -13.74 61.55 Favored 'General case' 0 N--CA 1.483 1.217 0 N-CA-C 118.12 2.637 . . . . 0.0 118.12 -169.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.1 t -122.38 -59.74 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.424 0 CA-C-N 117.978 0.354 . . . . 0.0 111.032 177.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 86.5 t -58.16 -43.31 85.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-O 117.678 -1.153 . . . . 0.0 113.602 -177.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . 0.261 1.6 mp0 -69.29 -42.25 20.44 Favored Pre-proline 0 N--CA 1.481 1.096 0 N-CA-C 115.525 1.676 . . . . 0.0 115.525 177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.92 -40.5 71.12 Favored 'Trans proline' 0 C--N 1.35 0.641 0 C-N-CA 122.877 2.385 . . . . 0.0 113.78 167.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -71.28 -41.21 70.31 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 119.293 -0.963 . . . . 0.0 113.033 178.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -53.51 -45.06 69.56 Favored 'General case' 0 C--O 1.212 -0.878 0 N-CA-C 114.795 1.406 . . . . 0.0 114.795 174.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 16.5 p -64.0 -42.26 97.23 Favored 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 113.179 0.807 . . . . 0.0 113.179 177.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -60.18 -41.25 92.49 Favored 'General case' 0 N--CA 1.48 1.026 0 C-N-CA 124.573 1.149 . . . . 0.0 112.254 171.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.635 HD11 HG11 ' A' ' 44' ' ' VAL . 52.5 tp -67.48 -41.82 83.96 Favored 'General case' 0 N--CA 1.477 0.891 0 C-N-CA 125.79 1.636 . . . . 0.0 115.076 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -40.25 -47.63 6.07 Favored Pre-proline 0 CA--C 1.555 1.148 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -175.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PRO . . . . . . . . . . . . . 9.4 Cg_endo -56.46 -33.12 91.5 Favored 'Trans proline' 0 C--N 1.361 1.233 0 CA-C-N 120.757 1.306 . . . . 0.0 115.221 177.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.661 ' O ' ' HE3' ' A' ' 81' ' ' LYS . 80.5 mttt -108.25 21.93 16.65 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 115.385 1.624 . . . . 0.0 115.385 178.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 15.4 tp -107.44 59.95 0.62 Allowed 'General case' 0 C--N 1.305 -1.348 0 CA-C-O 122.405 1.098 . . . . 0.0 108.963 177.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 52.0 mttp -126.71 128.71 47.1 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 112.661 -2.063 . . . . 0.0 110.279 -178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 78.38 -46.02 2.71 Favored Glycine 0 CA--C 1.537 1.456 0 O-C-N 125.198 1.561 . . . . 0.0 113.131 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.661 ' HE3' ' O ' ' A' ' 77' ' ' LYS . 11.2 mttm -49.43 152.19 1.37 Allowed 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 117.134 2.272 . . . . 0.0 117.134 -177.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.0 mmtp -89.58 112.17 23.31 Favored 'General case' 0 C--N 1.306 -1.31 0 CA-C-N 111.75 -2.477 . . . . 0.0 109.066 -177.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' O ' ' HA ' ' A' ' 111' ' ' VAL . 14.6 p -120.32 113.62 40.99 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.771 0 CA-C-N 114.583 -1.189 . . . . 0.0 111.664 -178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.02 143.74 16.86 Favored Glycine 0 N--CA 1.478 1.445 0 CA-C-N 114.066 -1.425 . . . . 0.0 109.549 177.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.8 mp -117.98 123.2 45.17 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 114.87 -0.665 . . . . 0.0 109.665 -172.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.491 ' O ' ' HA2' ' A' ' 53' ' ' GLY . 48.6 p90 -131.7 130.39 41.93 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 113.79 1.033 . . . . 0.0 113.79 178.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.521 ' HA3' ' HZ2' ' A' ' 96' ' ' TRP . . . -149.74 149.38 21.3 Favored Glycine 0 C--O 1.252 1.244 0 CA-C-N 113.533 -1.667 . . . . 0.0 115.527 -176.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.3 m -101.93 138.85 38.35 Favored 'General case' 0 C--N 1.306 -1.299 0 CA-C-N 112.736 -1.732 . . . . 0.0 109.088 174.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' HE2' ' HB ' ' A' ' 116' ' ' ILE . 54.6 p90 -127.49 160.55 31.15 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 113.964 -1.471 . . . . 0.0 111.641 170.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . 0.491 ' H ' ' HN1' ' A' ' 138' ' ' FNR . . . -100.19 -74.2 1.1 Allowed Glycine 0 CA--C 1.542 1.727 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.953 175.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TRP . . . . . . . . . . . . . 43.4 p90 -111.34 -12.84 14.01 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 119.848 3.277 . . . . 0.0 119.848 -170.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.44 128.93 4.67 Favored Glycine 0 C--O 1.215 -1.085 0 N-CA-C 106.163 -2.775 . . . . 0.0 106.163 -175.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 9.6 t -112.71 155.85 23.8 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 125.428 1.311 . . . . 0.0 111.264 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 95.24 -67.25 1.21 Allowed Glycine 0 N--CA 1.478 1.47 0 CA-C-N 112.709 -2.041 . . . . 0.0 114.55 165.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -39.06 -58.86 1.07 Allowed 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 117.484 2.401 . . . . 0.0 117.484 -170.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' TRP . . . . . 0.521 ' HZ2' ' HA3' ' A' ' 87' ' ' GLY . 0.0 OUTLIER -54.39 -42.14 70.05 Favored 'General case' 0 C--O 1.243 0.749 0 O-C-N 125.234 1.584 . . . . 0.0 112.009 179.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 55.0 tpp -69.26 -38.9 78.63 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 126.127 1.771 . . . . 0.0 112.391 178.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -60.72 -49.61 76.83 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 173.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -61.7 -41.71 97.95 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.67 1.231 . . . . 0.0 111.656 176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TRP . . . . . 0.497 ' CD2' HD21 ' A' ' 62' ' ' LEU . 6.2 t90 -61.18 -47.48 85.97 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 125.382 1.473 . . . . 0.0 112.636 174.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -60.21 -46.22 90.51 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.864 1.061 . . . . 0.0 113.864 174.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.7 tm0? -55.01 -51.97 64.6 Favored 'General case' 0 C--O 1.258 1.552 0 CA-C-N 114.484 -1.235 . . . . 0.0 112.605 176.001 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 20.8 ptp180 -67.68 -34.21 76.46 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 177.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . . . . . . . . . 12.3 p -76.02 -41.64 50.41 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 121.256 0.551 . . . . 0.0 112.486 -178.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 109' ' ' ALA . 25.6 tp10 -59.59 -46.25 89.5 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 114.505 -1.225 . . . . 0.0 112.712 168.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -58.93 -27.7 65.55 Favored 'General case' 0 N--CA 1.482 1.128 0 N-CA-C 117.035 2.235 . . . . 0.0 117.035 -175.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' THR . . . . . . . . . . . . . 70.5 p -74.38 1.48 11.58 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.336 1.235 . . . . 0.0 114.336 177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 94.58 19.27 32.68 Favored Glycine 0 N--CA 1.478 1.468 0 C-N-CA 125.246 1.403 . . . . 0.0 113.985 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.423 ' O ' ' HA ' ' A' ' 105' ' ' GLU . . . -110.36 159.82 17.11 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.237 1.015 . . . . 0.0 110.567 -179.735 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.6 t -114.5 144.6 43.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 122.119 0.961 . . . . 0.0 111.456 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.563 ' HA ' ' O ' ' A' ' 83' ' ' VAL . 59.1 t -94.16 108.44 20.65 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 113.171 -1.831 . . . . 0.0 111.548 -170.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . 0.259 6.7 tp -90.64 53.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 CA-C-O 125.553 2.596 . . . . 0.0 112.534 179.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 94.99 155.9 31.74 Favored Glycine 0 CA--C 1.534 1.26 0 CA-C-N 109.725 -3.398 . . . . 0.0 114.235 172.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' THR . . . . . . . . . . . . . 33.7 p -125.06 117.9 24.97 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-N 112.016 -2.092 . . . . 0.0 110.516 178.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -107.82 112.12 24.61 Favored 'General case' 0 N--CA 1.476 0.857 0 O-C-N 124.623 1.202 . . . . 0.0 112.116 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.515 ' HB ' ' HE2' ' A' ' 89' ' ' TYR . 10.5 pt -114.01 123.91 70.14 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.576 0 CA-C-N 113.989 -1.46 . . . . 0.0 110.691 178.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' VAL . . . . . 0.542 HG23 ' HB3' ' A' ' 124' ' ' ALA 0.25 0.4 OUTLIER -126.55 140.59 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 -177.347 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -73.36 85.16 1.46 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 112.24 -2.255 . . . . 0.0 108.752 173.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 62.31 -73.62 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 112.417 -2.174 . . . . 0.0 114.088 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 17.5 mmt -93.08 140.65 23.41 Favored Pre-proline 0 C--N 1.318 -0.783 0 C-N-CA 125.99 1.716 . . . . 0.0 111.956 -174.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -63.04 -177.13 0.32 Allowed 'Trans proline' 0 CA--C 1.533 0.461 0 C-N-CA 122.274 1.983 . . . . 0.0 111.764 172.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 72.66 -37.11 0.38 Allowed 'General case' 0 N--CA 1.485 1.296 0 N-CA-C 116.688 2.107 . . . . 0.0 116.688 -172.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 -61.43 -12.63 15.31 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 117.872 2.545 . . . . 0.0 117.872 176.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.542 ' HB3' HG23 ' A' ' 117' ' ' VAL . . . -133.5 110.89 12.55 Favored Pre-proline 0 CA--C 1.545 0.764 0 CA-C-N 112.697 -2.047 . . . . 0.0 108.766 171.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PRO . . . . . . . . . . . . . 88.4 Cg_exo -55.67 -19.69 25.0 Favored 'Trans proline' 0 N--CA 1.488 1.196 0 C-N-CA 123.333 2.689 . . . . 0.0 113.507 172.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -39.49 -41.76 1.03 Allowed 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 116.408 2.003 . . . . 0.0 116.408 169.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . . . . . . . . . 24.5 m -58.09 -50.15 74.46 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.707 0.803 . . . . 0.0 111.036 177.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -64.22 -42.27 96.65 Favored 'General case' 0 N--CA 1.478 0.956 0 CA-C-N 115.077 -0.965 . . . . 0.0 112.671 177.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -53.84 -48.6 69.8 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 114.352 -1.295 . . . . 0.0 113.286 173.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . . . . . . . . . 2.6 mp -58.92 -39.95 83.12 Favored 'General case' 0 N--CA 1.476 0.865 0 O-C-N 124.544 1.152 . . . . 0.0 113.305 173.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLY . . . . . 0.57 ' HA3' ' HB3' ' A' ' 23' ' ' ALA . . . -56.3 -54.3 36.78 Favored Glycine 0 CA--C 1.544 1.865 0 O-C-N 124.231 0.957 . . . . 0.0 112.824 173.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -55.86 -49.56 73.0 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 113.494 -1.353 . . . . 0.0 112.53 175.305 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ALA . . . . . . . . . . . . . . . -58.59 -42.55 88.32 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.535 1.309 . . . . 0.0 114.535 176.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -65.74 -41.5 92.09 Favored 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.207 1.003 . . . . 0.0 113.548 174.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 24' ' ' VAL . . . -56.65 -37.49 70.84 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.486 0.714 . . . . 0.0 112.803 170.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -97.54 23.35 7.8 Favored 'General case' 0 C--O 1.187 -2.187 0 N-CA-C 115.683 1.735 . . . . 0.0 115.683 176.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.376 1.741 0 CA-C-N 112.638 -2.074 . . . . 0.0 115.369 -176.116 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' FNR . . . . . 0.491 ' HN1' ' H ' ' A' ' 90' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_