==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 15-MAY-12 4F6X . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR F.-Y.LIN,Y.ZHANG,Y.-L.LIU,E.OLDFIELD . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 9 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 2 0 0 0 2 1 1 1 1 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 146 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 145.1 -32.5 17.0 34.3 2 2 A T > - 0 0 82 1,-0.1 4,-1.7 4,-0.0 5,-0.1 -0.275 360.0-102.0 -77.3 165.7 -35.9 18.0 32.9 3 3 A M H > S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.924 125.2 49.8 -51.5 -48.8 -38.1 15.8 30.7 4 4 A M H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.874 104.6 58.7 -61.1 -38.7 -37.0 17.7 27.6 5 5 A D H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.869 104.2 52.2 -54.0 -41.0 -33.3 17.2 28.6 6 6 A M H X S+ 0 0 101 -4,-1.7 4,-2.3 -3,-0.3 -1,-0.2 0.898 106.5 53.1 -64.4 -41.7 -34.0 13.5 28.5 7 7 A N H X S+ 0 0 11 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.924 111.6 45.2 -58.5 -45.9 -35.4 13.9 25.0 8 8 A F H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.870 109.3 56.0 -67.0 -35.2 -32.3 15.6 23.8 9 9 A K H X S+ 0 0 124 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.910 106.8 49.6 -65.2 -41.5 -30.1 13.1 25.6 10 10 A Y H X S+ 0 0 33 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.905 109.1 52.2 -60.5 -42.2 -31.8 10.3 23.7 11 11 A C H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.917 108.7 51.7 -59.6 -41.3 -31.2 12.3 20.4 12 12 A H H X S+ 0 0 42 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.921 106.7 53.7 -57.6 -46.4 -27.5 12.5 21.4 13 13 A K H X S+ 0 0 131 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.851 107.8 49.4 -60.0 -39.1 -27.4 8.7 22.0 14 14 A I H X S+ 0 0 23 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.901 112.4 48.2 -68.6 -39.2 -28.7 8.0 18.5 15 15 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 8,-0.3 0.929 113.3 45.5 -65.5 -47.5 -26.2 10.4 16.9 16 16 A K H < S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.823 111.1 53.9 -69.7 -31.8 -23.2 9.0 18.8 17 17 A K H < S+ 0 0 181 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.865 116.3 38.7 -67.7 -38.1 -24.2 5.4 18.1 18 18 A H H < S+ 0 0 81 -4,-1.7 2,-0.3 1,-0.2 -2,-0.2 0.855 130.8 17.1 -81.0 -37.4 -24.4 6.1 14.4 19 19 A S X + 0 0 9 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 -0.829 44.7 178.8-148.1 105.3 -21.4 8.4 14.1 20 20 A K H > S+ 0 0 141 -2,-0.3 4,-2.9 -3,-0.2 5,-0.2 0.849 91.1 57.4 -67.8 -32.9 -18.4 8.9 16.4 21 21 A S H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.977 111.5 38.0 -63.1 -53.9 -16.9 11.3 14.0 22 22 A F H > S+ 0 0 23 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.897 118.5 49.0 -70.5 -37.8 -19.9 13.7 13.9 23 23 A S H X S+ 0 0 2 -4,-2.2 4,-2.3 -8,-0.3 -1,-0.2 0.955 108.7 54.6 -63.7 -46.4 -20.6 13.3 17.6 24 24 A Y H < S+ 0 0 54 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.944 117.8 35.4 -48.2 -53.3 -17.0 14.0 18.4 25 25 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.2 -2,-0.2 0.940 119.6 45.1 -68.6 -51.0 -17.0 17.2 16.4 26 26 A F H >< S+ 0 0 20 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.731 97.7 68.8 -77.6 -24.0 -20.5 18.6 17.1 27 27 A D T 3< S+ 0 0 32 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.1 0.587 89.9 69.9 -65.3 -8.0 -20.6 17.9 20.9 28 28 A L T < S+ 0 0 82 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.634 80.3 100.1 -82.2 -14.3 -18.0 20.7 21.0 29 29 A L S < S- 0 0 6 -3,-1.7 206,-0.1 -4,-0.1 6,-0.0 -0.255 91.6 -83.2 -67.8 157.0 -20.6 23.2 20.0 30 30 A P > - 0 0 52 0, 0.0 4,-3.0 0, 0.0 3,-0.3 -0.260 52.5 -99.7 -55.4 154.4 -22.3 25.5 22.6 31 31 A E H > S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.849 117.7 48.1 -46.4 -58.7 -25.1 23.7 24.4 32 32 A D H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 118.2 39.3 -52.5 -50.1 -28.1 25.2 22.5 33 33 A Q H > S+ 0 0 32 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.899 113.8 56.3 -71.0 -41.8 -26.6 24.6 19.0 34 34 A R H X S+ 0 0 68 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.921 108.8 46.6 -48.4 -51.3 -25.3 21.2 20.1 35 35 A K H X S+ 0 0 35 -4,-2.8 4,-2.1 -5,-0.2 -1,-0.2 0.880 109.0 54.2 -67.7 -38.1 -28.7 20.1 21.2 36 36 A A H X S+ 0 0 7 -4,-1.7 4,-2.4 -5,-0.2 5,-0.3 0.919 108.7 49.3 -62.2 -42.3 -30.4 21.3 18.0 37 37 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.902 108.2 54.5 -63.3 -40.5 -27.9 19.3 15.9 38 38 A W H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.915 111.4 44.5 -55.9 -46.4 -28.6 16.2 18.0 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.946 116.3 44.0 -68.6 -48.5 -32.3 16.5 17.4 40 40 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.941 116.8 47.5 -61.7 -45.4 -32.1 17.2 13.7 41 41 A Y H X S+ 0 0 21 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.919 111.4 50.6 -61.2 -44.8 -29.5 14.5 13.3 42 42 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.914 109.9 49.9 -63.7 -40.5 -31.5 12.0 15.3 43 43 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.935 110.6 50.2 -60.7 -44.0 -34.6 12.6 13.2 44 44 A C H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.872 111.1 49.6 -65.1 -35.3 -32.6 12.1 10.0 45 45 A R H X S+ 0 0 37 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.917 108.5 51.5 -67.1 -44.9 -31.3 8.8 11.4 46 46 A K H X S+ 0 0 53 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.870 113.7 46.6 -58.9 -38.5 -34.7 7.6 12.3 47 47 A I H < S+ 0 0 0 -4,-2.1 3,-0.5 -5,-0.2 4,-0.4 0.954 111.7 49.4 -67.4 -51.3 -35.8 8.4 8.8 48 48 A D H < S+ 0 0 35 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.871 119.4 38.1 -56.8 -40.4 -32.8 6.8 7.2 49 49 A D H >< S+ 0 0 86 -4,-2.6 3,-2.4 1,-0.2 -1,-0.2 0.671 89.2 99.0 -83.9 -19.7 -33.2 3.6 9.2 50 50 A S T 3< S+ 0 0 17 -4,-1.2 7,-0.2 -3,-0.5 -1,-0.2 0.784 75.9 53.4 -46.1 -52.0 -37.0 3.4 9.2 51 51 A I T 3 0 0 40 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.649 360.0 360.0 -62.0 -11.0 -37.7 0.8 6.4 52 52 A D < 0 0 167 -3,-2.4 -3,-0.1 -4,-0.1 -2,-0.0 0.067 360.0 360.0-127.9 360.0 -35.3 -1.6 8.1 53 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 54 56 A D 0 0 127 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-168.2 -42.2 -1.4 5.8 55 57 A I > + 0 0 52 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.502 360.0 97.4 -91.2 -2.9 -43.2 2.3 5.3 56 58 A Q H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 86.5 41.1 -55.1 -57.7 -45.5 2.6 8.3 57 59 A F H > S+ 0 0 63 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 114.9 53.1 -58.3 -39.1 -43.0 4.2 10.7 58 60 A L H > S+ 0 0 0 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.900 106.8 51.8 -65.6 -40.2 -41.7 6.4 8.0 59 61 A N H X S+ 0 0 48 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.908 110.7 50.0 -57.6 -41.7 -45.2 7.6 7.2 60 62 A Q H X S+ 0 0 65 -4,-2.1 4,-2.5 -5,-0.2 20,-0.4 0.883 108.7 50.8 -66.3 -39.0 -45.6 8.4 10.9 61 63 A I H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.948 111.0 49.2 -61.5 -46.0 -42.3 10.3 11.0 62 64 A K H X S+ 0 0 44 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.917 111.4 49.2 -61.6 -42.0 -43.5 12.3 8.0 63 65 A E H X S+ 0 0 91 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.882 109.7 51.5 -65.1 -37.6 -46.8 13.0 9.6 64 66 A D H X S+ 0 0 2 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.937 109.6 49.6 -61.6 -46.6 -45.2 14.1 12.9 65 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 109.9 51.9 -60.3 -41.6 -42.9 16.5 11.0 66 68 A Q H X S+ 0 0 71 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.877 106.0 54.0 -61.4 -39.5 -45.9 17.9 9.2 67 69 A S H X S+ 0 0 37 -4,-2.0 4,-3.2 1,-0.2 -1,-0.2 0.899 110.4 47.2 -62.0 -41.0 -47.8 18.5 12.5 68 70 A I H < S+ 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.866 112.1 49.4 -68.8 -39.8 -44.8 20.5 13.8 69 71 A E H < S+ 0 0 91 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.933 119.1 38.0 -64.7 -45.3 -44.6 22.5 10.6 70 72 A K H < S+ 0 0 144 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.928 135.6 18.8 -72.3 -45.4 -48.3 23.3 10.7 71 73 A Y >< + 0 0 126 -4,-3.2 3,-1.5 -5,-0.2 -1,-0.2 -0.587 65.7 165.8-128.8 70.2 -48.7 23.8 14.4 72 74 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 21,-0.1 0.810 81.5 43.3 -54.7 -31.8 -45.2 24.4 16.0 73 75 A Y T 3 S+ 0 0 161 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.354 94.4 94.9-101.9 6.2 -46.8 25.6 19.3 74 76 A E S < S- 0 0 114 -3,-1.5 2,-0.5 -7,-0.2 -3,-0.1 -0.673 80.3-109.7 -92.9 153.3 -49.5 23.0 19.8 75 77 A Y - 0 0 133 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.706 39.5-166.8 -79.4 128.0 -49.1 19.8 21.8 76 78 A H - 0 0 26 -2,-0.5 2,-1.1 -12,-0.0 -12,-0.0 -0.912 26.8-138.0-118.4 142.5 -49.0 16.8 19.6 77 79 A H - 0 0 163 -2,-0.4 -2,-0.0 2,-0.0 2,-0.0 -0.827 39.1-139.9 -91.0 91.7 -49.4 13.1 20.4 78 80 A F - 0 0 22 -2,-1.1 4,-0.2 1,-0.1 -17,-0.1 -0.297 13.4-155.0 -63.4 134.9 -46.6 12.0 18.1 79 81 A Q S S+ 0 0 90 -19,-0.3 -18,-0.1 2,-0.1 -1,-0.1 0.788 81.9 36.3 -77.0 -32.6 -47.1 8.8 16.1 80 82 A S S S- 0 0 21 -20,-0.4 2,-0.6 1,-0.2 -19,-0.1 0.827 126.5 -15.7 -91.2 -99.9 -43.5 7.9 15.6 81 83 A D > - 0 0 24 1,-0.2 4,-2.5 -24,-0.1 5,-0.2 -0.932 55.2-163.8-113.3 110.0 -40.8 8.6 18.2 82 84 A R H > S+ 0 0 102 -2,-0.6 4,-3.1 1,-0.2 5,-0.3 0.897 85.7 53.8 -58.1 -46.1 -42.0 11.0 20.9 83 85 A R H > S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.882 113.8 41.2 -60.4 -41.5 -38.6 11.8 22.4 84 86 A I H > S+ 0 0 2 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.944 116.8 47.2 -73.5 -48.2 -37.1 12.8 19.0 85 87 A M H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.850 109.2 54.7 -62.6 -36.0 -40.2 14.7 17.8 86 88 A M H X S+ 0 0 28 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.917 111.5 45.4 -63.8 -40.3 -40.5 16.5 21.1 87 89 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.906 112.4 50.3 -66.1 -43.4 -36.9 17.7 20.7 88 90 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.928 109.5 51.6 -62.4 -42.5 -37.4 18.6 17.1 89 91 A Q H X S+ 0 0 10 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.921 108.4 51.6 -58.6 -41.6 -40.5 20.6 18.0 90 92 A H H X S+ 0 0 62 -4,-1.9 4,-0.5 1,-0.2 3,-0.4 0.930 111.6 46.9 -61.8 -43.5 -38.5 22.4 20.6 91 93 A V H >X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 3,-1.8 0.937 109.4 53.8 -62.0 -45.9 -35.8 23.3 18.0 92 94 A A H 3< S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.3 5,-0.2 0.724 100.2 61.4 -64.3 -23.6 -38.4 24.4 15.5 93 95 A Q H 3< S+ 0 0 57 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.687 117.6 30.0 -73.1 -17.2 -39.9 26.8 18.1 94 96 A H H << S+ 0 0 120 -3,-1.8 2,-0.3 -4,-0.5 -2,-0.2 0.572 122.0 43.1-116.3 -17.3 -36.5 28.6 18.2 95 97 A K S < S- 0 0 88 -4,-1.9 2,-1.1 -5,-0.1 -1,-0.1 -0.935 81.5-107.7-134.7 154.8 -35.1 28.1 14.7 96 98 A N - 0 0 109 -2,-0.3 2,-0.4 45,-0.1 46,-0.1 -0.703 39.8-162.2 -80.4 97.8 -36.2 28.2 11.1 97 99 A I - 0 0 4 -2,-1.1 2,-1.7 -5,-0.2 3,-0.2 -0.711 19.5-130.6 -85.4 132.8 -36.3 24.5 10.1 98 100 A A >> + 0 0 26 -2,-0.4 3,-1.2 1,-0.2 4,-1.0 -0.602 30.2 179.5 -82.8 85.7 -36.3 23.8 6.3 99 101 A F H 3> S+ 0 0 28 -2,-1.7 4,-1.8 1,-0.3 3,-0.3 0.838 74.6 61.7 -61.3 -35.8 -39.1 21.4 6.4 100 102 A Q H 3> S+ 0 0 113 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.827 98.8 59.9 -60.5 -28.3 -39.1 20.8 2.6 101 103 A S H <> S+ 0 0 9 -3,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.909 103.0 49.6 -66.3 -40.9 -35.6 19.4 3.2 102 104 A F H X S+ 0 0 1 -4,-1.0 4,-2.7 -3,-0.3 -1,-0.2 0.882 110.8 51.1 -59.1 -40.3 -36.9 16.8 5.5 103 105 A Y H X S+ 0 0 12 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.861 107.1 52.5 -69.7 -32.5 -39.5 15.9 2.9 104 106 A N H X S+ 0 0 41 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.913 111.3 47.3 -66.0 -42.8 -36.8 15.6 0.2 105 107 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.924 112.1 49.6 -60.9 -49.3 -34.9 13.2 2.5 106 108 A I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.945 109.9 50.9 -55.1 -50.0 -38.1 11.2 3.2 107 109 A D H X S+ 0 0 70 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.866 110.0 50.8 -56.7 -38.0 -38.9 10.9 -0.5 108 110 A T H X S+ 0 0 11 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.902 109.3 50.2 -67.8 -40.5 -35.4 9.7 -1.2 109 111 A V H X S+ 0 0 13 -4,-2.2 4,-0.9 1,-0.2 3,-0.3 0.932 107.4 53.3 -66.6 -44.1 -35.7 7.1 1.5 110 112 A Y H >< S+ 0 0 47 -4,-2.9 3,-0.6 1,-0.2 4,-0.5 0.902 110.7 50.0 -50.4 -41.3 -39.0 5.9 0.0 111 113 A K H 3< S+ 0 0 131 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.812 95.8 68.2 -70.8 -30.9 -37.2 5.6 -3.3 112 114 A D H >< S+ 0 0 35 -4,-1.6 3,-1.3 -3,-0.3 -1,-0.2 0.769 84.4 75.2 -65.3 -25.2 -34.3 3.5 -1.9 113 115 A Q T << S+ 0 0 81 -4,-0.9 2,-2.2 -3,-0.6 -1,-0.2 0.968 103.2 36.2 -43.1 -74.8 -36.7 0.6 -1.3 114 116 A H T 3 S- 0 0 132 -4,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 -0.361 95.4-175.5 -77.2 57.1 -36.8 -0.2 -5.0 115 117 A F < + 0 0 32 -2,-2.2 2,-0.4 -3,-1.3 -3,-0.1 -0.349 8.9 179.1 -57.9 126.9 -33.1 0.7 -5.3 116 118 A T - 0 0 104 -2,-0.1 3,-0.1 1,-0.0 -2,-0.0 -0.979 37.9 -97.7-124.0 144.1 -31.9 0.5 -8.8 117 119 A M - 0 0 52 -2,-0.4 2,-0.5 1,-0.1 64,-0.1 -0.097 45.3 -97.5 -55.1 159.7 -28.3 1.4 -9.5 118 120 A F - 0 0 21 62,-0.4 66,-2.5 64,-0.4 67,-0.2 -0.728 24.2-153.9 -85.9 127.5 -27.6 4.9 -10.8 119 121 A E S S+ 0 0 97 -2,-0.5 66,-2.5 64,-0.2 2,-0.2 0.947 76.7 9.6 -65.7 -50.0 -27.2 5.2 -14.6 120 122 A T S >> S- 0 0 53 64,-0.2 4,-1.4 63,-0.1 3,-0.6 -0.746 81.2-103.7-125.5 169.4 -25.0 8.3 -14.5 121 123 A D H 3> S+ 0 0 5 -2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.794 117.3 67.3 -62.2 -29.6 -23.1 10.3 -11.9 122 124 A A H 3> S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 102.1 46.6 -55.1 -41.1 -25.9 12.9 -12.2 123 125 A E H <> S+ 0 0 90 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.885 112.1 50.3 -71.3 -39.0 -28.2 10.4 -10.6 124 126 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 3,-0.2 0.947 111.6 47.3 -61.3 -50.0 -25.6 9.5 -7.9 125 127 A F H X S+ 0 0 66 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.845 108.6 55.5 -62.4 -34.3 -25.1 13.1 -7.0 126 128 A G H X S+ 0 0 46 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.838 108.2 49.4 -63.8 -36.5 -28.9 13.6 -6.9 127 129 A Y H X S+ 0 0 27 -4,-1.6 4,-2.6 -3,-0.2 5,-0.3 0.913 107.4 54.1 -62.4 -47.6 -29.0 10.8 -4.4 128 130 A C H X>S+ 0 0 1 -4,-2.5 5,-1.8 1,-0.2 4,-1.4 0.888 109.7 48.0 -57.2 -40.5 -26.2 12.4 -2.4 129 131 A Y H <>S+ 0 0 54 -4,-2.2 5,-2.2 3,-0.2 -1,-0.2 0.929 111.2 52.0 -61.6 -45.7 -28.3 15.6 -2.3 130 132 A G H <5S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -22,-0.2 0.905 120.6 28.8 -62.4 -42.8 -31.4 13.6 -1.2 131 133 A V H <5S+ 0 0 16 -4,-2.6 -1,-0.2 -23,-0.1 -2,-0.2 0.631 141.4 9.2 -94.0 -11.4 -29.8 11.8 1.7 132 134 A A T X5S+ 0 0 11 -4,-1.4 4,-1.9 -5,-0.3 -3,-0.2 0.635 117.3 60.3-142.5 -38.3 -27.2 14.2 2.8 133 135 A G H > S+ 0 0 22 2,-0.2 4,-2.4 -6,-0.2 -1,-0.2 0.913 106.9 51.2 -70.3 -41.0 -29.3 17.3 6.1 136 138 A G H X S+ 0 0 10 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.933 109.8 52.1 -54.3 -46.1 -26.8 20.1 5.4 137 139 A E H >< S+ 0 0 17 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.912 109.9 47.1 -60.1 -45.5 -29.8 22.3 4.5 138 140 A V H 3< S+ 0 0 1 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.894 112.7 49.9 -65.1 -37.1 -31.7 21.5 7.7 139 141 A L H >X S+ 0 0 20 -4,-2.4 4,-1.5 1,-0.2 3,-0.8 0.664 88.4 89.6 -74.3 -16.6 -28.6 22.2 9.8 140 142 A T H XX S+ 0 0 1 -4,-1.1 3,-0.7 -3,-0.6 4,-0.6 0.894 84.1 47.4 -51.2 -54.1 -27.9 25.5 8.2 141 143 A P H 34 S+ 0 0 0 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.784 111.5 54.3 -63.0 -24.6 -30.0 27.8 10.5 142 144 A I H <4 S+ 0 0 9 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.841 114.0 39.2 -71.6 -32.7 -28.4 26.1 13.5 143 145 A L H << S+ 0 0 8 -4,-1.5 89,-2.4 -3,-0.7 2,-0.3 0.256 113.8 49.3-111.3 12.5 -24.8 26.7 12.4 144 146 A S < - 0 0 2 -4,-0.6 3,-0.2 -3,-0.3 87,-0.1 -0.981 63.2-143.7-148.3 155.4 -25.0 30.2 10.9 145 147 A D S S+ 0 0 101 -2,-0.3 2,-0.6 1,-0.3 -1,-0.1 0.914 94.0 23.0 -89.4 -49.6 -26.4 33.5 12.1 146 148 A H S S- 0 0 164 84,-0.2 2,-0.3 2,-0.0 -1,-0.3 -0.908 82.3-157.0-122.5 100.9 -27.7 35.1 8.9 147 149 A E + 0 0 59 -2,-0.6 2,-0.3 -3,-0.2 84,-0.0 -0.589 20.4 161.4 -85.4 134.1 -28.5 32.4 6.4 148 150 A T >> - 0 0 65 -2,-0.3 4,-2.0 82,-0.1 3,-0.8 -0.814 57.8 -75.7-138.8-178.4 -28.6 33.1 2.7 149 151 A H H 3> S+ 0 0 151 1,-0.3 4,-2.0 -2,-0.3 5,-0.1 0.830 129.3 51.1 -53.6 -37.9 -28.4 31.2 -0.5 150 152 A Q H 3> S+ 0 0 64 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.854 105.8 54.6 -70.7 -33.2 -24.6 30.8 -0.2 151 153 A T H <> S+ 0 0 1 -3,-0.8 4,-2.1 1,-0.2 -2,-0.2 0.946 112.6 44.1 -62.3 -46.1 -24.8 29.5 3.4 152 154 A Y H X S+ 0 0 45 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.855 112.3 52.8 -66.1 -35.3 -27.2 26.8 2.2 153 155 A D H X S+ 0 0 53 -4,-2.0 4,-2.7 -5,-0.3 5,-0.2 0.943 110.2 46.1 -67.7 -46.3 -25.1 26.0 -0.8 154 156 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.921 115.4 47.0 -60.8 -42.8 -21.9 25.5 1.2 155 157 A A H X S+ 0 0 7 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.875 112.1 50.8 -66.0 -38.9 -23.8 23.3 3.7 156 158 A R H X S+ 0 0 63 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.928 111.3 47.5 -65.6 -47.2 -25.4 21.3 0.9 157 159 A R H X S+ 0 0 52 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.872 111.5 50.8 -61.6 -40.6 -22.1 20.7 -0.8 158 160 A L H X S+ 0 0 21 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.956 109.9 50.0 -61.8 -48.3 -20.5 19.7 2.5 159 161 A G H X S+ 0 0 10 -4,-2.4 4,-2.2 1,-0.2 -26,-0.2 0.935 112.0 48.8 -52.8 -48.7 -23.3 17.2 3.2 160 162 A E H X S+ 0 0 45 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.849 110.5 49.3 -63.4 -37.0 -23.0 15.8 -0.3 161 163 A S H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.889 108.9 53.4 -68.3 -41.9 -19.2 15.4 -0.1 162 164 A L H X S+ 0 0 27 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.913 109.1 49.3 -60.2 -43.2 -19.5 13.6 3.3 163 165 A Q H X S+ 0 0 37 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.899 110.0 50.9 -60.3 -42.2 -22.0 11.2 1.7 164 166 A L H X S+ 0 0 4 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.928 110.2 49.1 -63.6 -42.9 -19.6 10.6 -1.1 165 167 A I H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.920 109.5 53.3 -60.2 -45.7 -16.8 9.9 1.3 166 168 A N H X S+ 0 0 29 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.923 107.8 49.7 -53.2 -47.5 -19.1 7.5 3.2 167 169 A I H < S+ 0 0 3 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.903 109.3 52.6 -58.3 -40.1 -19.8 5.7 -0.1 168 170 A L H < S+ 0 0 4 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.782 111.0 47.1 -70.5 -29.6 -16.1 5.4 -0.7 169 171 A R H < S+ 0 0 37 -4,-1.8 95,-0.4 -3,-0.2 3,-0.3 0.792 115.9 45.7 -73.6 -30.3 -15.6 3.9 2.7 170 172 A D X + 0 0 4 -4,-1.6 4,-3.0 -5,-0.2 5,-0.4 0.208 65.4 119.0-110.5 15.5 -18.4 1.5 2.4 171 173 A V H > S+ 0 0 14 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.912 84.1 45.1 -48.5 -50.1 -18.1 -0.2 -1.0 172 174 A G H > S+ 0 0 4 87,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.964 115.7 41.7 -58.8 -58.2 -17.7 -3.6 0.6 173 175 A E H > S+ 0 0 59 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.879 114.9 52.7 -63.5 -34.7 -20.5 -3.5 3.2 174 176 A D H <>S+ 0 0 22 -4,-3.0 5,-2.7 2,-0.2 3,-0.4 0.931 107.6 51.6 -65.8 -45.5 -22.8 -1.8 0.7 175 177 A F H ><5S+ 0 0 52 -4,-2.4 3,-2.3 -5,-0.4 -2,-0.2 0.936 106.5 53.8 -55.3 -46.7 -22.2 -4.6 -1.8 176 178 A E H 3<5S+ 0 0 100 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.3 50.6 -56.5 -31.2 -23.0 -7.2 0.8 177 179 A N T 3<5S- 0 0 106 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.085 127.1-104.2 -97.3 23.4 -26.3 -5.5 1.4 178 180 A E T < 5S+ 0 0 168 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.819 81.0 125.0 65.8 35.6 -26.9 -5.5 -2.3 179 181 A R < + 0 0 64 -5,-2.7 2,-0.4 -8,-0.1 -2,-0.2 -0.991 33.8 180.0-129.7 130.5 -26.1 -1.9 -3.0 180 182 A I - 0 0 31 -2,-0.4 -62,-0.4 1,-0.1 -9,-0.0 -0.990 1.9-177.1-124.3 123.7 -23.6 -0.4 -5.4 181 183 A Y + 0 0 24 -2,-0.4 -1,-0.1 -14,-0.1 2,-0.1 0.646 52.5 99.9 -97.9 -16.9 -23.5 3.4 -5.4 182 184 A F S S- 0 0 3 -15,-0.1 -64,-0.4 1,-0.1 2,-0.1 -0.428 81.7-107.7 -63.5 147.1 -21.0 4.0 -8.2 183 185 A S > - 0 0 0 1,-0.1 4,-2.7 -66,-0.1 -64,-0.2 -0.422 11.8-126.2 -81.2 155.5 -22.7 4.9 -11.5 184 186 A K H > S+ 0 0 72 -66,-2.5 4,-3.2 1,-0.2 5,-0.4 0.941 111.1 57.5 -62.3 -47.7 -23.0 2.5 -14.4 185 187 A Q H > S+ 0 0 82 -66,-2.5 4,-2.0 -67,-0.2 -1,-0.2 0.924 114.0 37.7 -43.1 -53.0 -21.5 5.1 -16.7 186 188 A R H > S+ 0 0 37 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.866 115.8 52.4 -75.8 -36.1 -18.4 5.3 -14.5 187 189 A L H <>S+ 0 0 13 -4,-2.7 5,-2.5 2,-0.2 4,-0.4 0.898 113.6 43.3 -62.1 -45.5 -18.2 1.6 -13.7 188 190 A K H ><5S+ 0 0 182 -4,-3.2 3,-0.6 3,-0.2 -2,-0.2 0.881 112.1 54.4 -71.2 -40.5 -18.3 0.6 -17.4 189 191 A Q H 3<5S+ 0 0 108 -4,-2.0 -2,-0.2 -5,-0.4 -1,-0.2 0.896 115.3 38.4 -56.4 -44.8 -15.9 3.4 -18.3 190 192 A Y T 3<5S- 0 0 54 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.460 110.6-122.2 -88.9 -1.5 -13.3 2.1 -15.8 191 193 A E T < 5 + 0 0 140 -3,-0.6 2,-0.4 -4,-0.4 -3,-0.2 0.974 57.3 151.2 57.0 60.4 -14.1 -1.5 -16.6 192 194 A V < - 0 0 18 -5,-2.5 2,-0.5 13,-0.1 -1,-0.2 -0.977 34.0-169.4-123.9 135.1 -15.1 -2.5 -13.0 193 195 A D > - 0 0 91 -2,-0.4 4,-2.3 1,-0.1 5,-0.3 -0.976 13.4-156.0-116.8 112.0 -17.5 -5.2 -11.8 194 196 A I H > S+ 0 0 3 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.890 94.2 53.2 -57.7 -40.6 -18.0 -4.7 -8.0 195 197 A A H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 109.9 49.1 -56.2 -46.4 -18.9 -8.3 -7.5 196 198 A E H > S+ 0 0 75 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.905 112.6 46.0 -61.5 -46.1 -15.7 -9.4 -9.2 197 199 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.895 110.1 55.6 -64.9 -40.4 -13.5 -7.0 -7.1 198 200 A Y H < S+ 0 0 57 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.906 116.0 36.9 -58.6 -41.4 -15.4 -8.2 -4.0 199 201 A Q H < S+ 0 0 155 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.892 130.6 28.5 -77.5 -37.6 -14.5 -11.8 -4.8 200 202 A N H < S- 0 0 98 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.506 105.6-112.5-108.8 -5.8 -11.0 -11.3 -6.2 201 203 A G < - 0 0 32 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.260 50.3 -40.6 95.5 172.3 -9.6 -8.2 -4.6 202 204 A V - 0 0 53 55,-0.2 2,-0.2 -2,-0.1 57,-0.0 -0.289 52.5-177.8 -73.0 156.3 -8.7 -4.8 -5.9 203 205 A N > - 0 0 55 -2,-0.0 4,-2.1 0, 0.0 5,-0.2 -0.776 45.4 -88.8-136.6-173.3 -7.0 -4.1 -9.2 204 206 A N H > S+ 0 0 124 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.790 122.5 56.7 -74.9 -27.6 -5.8 -1.0 -11.0 205 207 A H H > S+ 0 0 82 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 110.5 44.5 -62.8 -49.0 -9.1 -0.4 -12.7 206 208 A Y H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.935 111.6 51.1 -63.5 -48.2 -10.9 -0.3 -9.4 207 209 A I H X S+ 0 0 34 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.914 110.3 51.1 -59.1 -40.0 -8.4 1.9 -7.7 208 210 A D H X S+ 0 0 88 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.905 111.6 46.4 -62.4 -43.1 -8.6 4.3 -10.5 209 211 A L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.912 113.1 49.8 -66.6 -41.8 -12.4 4.4 -10.3 210 212 A W H X S+ 0 0 1 -4,-3.3 4,-2.8 1,-0.2 -2,-0.2 0.956 111.4 48.7 -57.9 -47.9 -12.2 4.9 -6.5 211 213 A E H X S+ 0 0 51 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.795 104.1 61.0 -67.8 -28.0 -9.7 7.7 -6.9 212 214 A Y H X S+ 0 0 69 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.959 111.4 38.6 -60.4 -51.1 -11.9 9.4 -9.5 213 215 A Y H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.901 113.6 55.2 -67.7 -38.5 -14.6 9.7 -6.9 214 216 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.864 105.0 55.0 -61.5 -35.8 -12.2 10.5 -4.1 215 217 A A H X S+ 0 0 51 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.919 108.3 48.1 -59.9 -45.9 -10.8 13.4 -6.3 216 218 A I H X S+ 0 0 39 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.957 112.5 48.5 -60.5 -51.6 -14.4 14.8 -6.6 217 219 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.930 112.1 48.4 -52.7 -50.1 -15.0 14.5 -2.8 218 220 A E H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.892 110.8 50.2 -64.5 -40.0 -11.6 16.2 -1.9 219 221 A K H X S+ 0 0 109 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.902 110.4 49.7 -63.8 -41.9 -12.1 19.1 -4.4 220 222 A D H X S+ 0 0 44 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.919 109.1 53.7 -62.8 -41.1 -15.6 19.7 -3.0 221 223 A F H X S+ 0 0 29 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.936 107.8 49.6 -55.1 -50.4 -14.1 19.7 0.5 222 224 A R H X S+ 0 0 130 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.896 110.7 49.5 -58.5 -41.1 -11.5 22.3 -0.5 223 225 A D H X S+ 0 0 52 -4,-2.1 4,-0.8 2,-0.2 -1,-0.2 0.884 111.1 49.9 -67.9 -37.8 -14.3 24.6 -1.9 224 226 A V H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.955 110.4 50.0 -60.7 -48.8 -16.3 24.2 1.2 225 227 A M H >< S+ 0 0 31 -4,-2.9 3,-1.6 1,-0.3 -2,-0.2 0.872 103.8 59.5 -58.1 -37.6 -13.3 25.1 3.4 226 228 A D H 3< S+ 0 0 120 -4,-2.1 -1,-0.3 1,-0.3 3,-0.2 0.779 112.2 40.7 -61.4 -24.1 -12.7 28.1 1.2 227 229 A Q T X< S+ 0 0 71 -3,-1.3 3,-1.9 -4,-0.8 -1,-0.3 0.071 75.0 123.8-112.7 24.9 -16.2 29.3 2.2 228 230 A I G X + 0 0 12 -3,-1.6 3,-1.7 1,-0.3 -1,-0.2 0.754 61.5 73.2 -58.3 -24.3 -16.1 28.3 5.9 229 231 A K G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.556 72.9 79.1 -79.3 -4.0 -16.9 31.8 7.0 230 232 A V G < S+ 0 0 36 -3,-1.9 -1,-0.3 -80,-0.1 -85,-0.2 0.725 89.2 76.0 -65.0 -19.5 -20.5 31.6 5.9 231 233 A F S < S- 0 0 10 -3,-1.7 -87,-0.3 -4,-0.2 5,-0.1 -0.500 101.6 -84.0 -93.9 161.7 -20.9 29.8 9.2 232 234 A S >> - 0 0 2 -89,-2.4 4,-1.8 -2,-0.2 3,-0.8 -0.283 39.8-116.7 -62.4 148.3 -21.0 31.2 12.7 233 235 A I T 34 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.2 -2,-0.1 0.860 116.2 52.0 -57.0 -36.1 -17.5 31.8 14.2 234 236 A E T 34 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.826 113.1 44.2 -69.0 -32.4 -18.2 29.2 17.0 235 237 A A T <> S+ 0 0 0 -3,-0.8 4,-3.1 -92,-0.2 5,-0.3 0.658 94.2 81.5 -88.1 -17.6 -19.3 26.6 14.4 236 238 A Q H X S+ 0 0 21 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.933 94.2 40.8 -56.7 -54.1 -16.4 27.1 12.0 237 239 A P H > S+ 0 0 21 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.818 117.6 51.4 -66.7 -25.6 -13.7 25.1 13.6 238 240 A I H > S+ 0 0 10 -4,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.916 110.9 45.3 -76.4 -45.5 -16.2 22.4 14.5 239 241 A I H X S+ 0 0 4 -4,-3.1 4,-2.5 2,-0.2 5,-0.2 0.935 114.6 49.6 -62.9 -45.4 -17.5 22.1 10.9 240 242 A E H X S+ 0 0 14 -4,-2.8 4,-3.0 -5,-0.3 -2,-0.2 0.919 111.2 50.1 -56.3 -45.9 -13.9 22.1 9.7 241 243 A L H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.951 109.1 50.1 -57.7 -52.5 -13.1 19.4 12.2 242 244 A A H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.909 114.5 46.0 -54.1 -44.5 -16.0 17.2 11.2 243 245 A A H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.940 113.4 47.7 -62.4 -50.4 -15.0 17.6 7.6 244 246 A R H X S+ 0 0 52 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.901 111.6 49.5 -62.4 -44.4 -11.3 16.9 8.2 245 247 A I H X S+ 0 0 0 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.952 114.0 48.2 -56.1 -45.8 -12.1 13.9 10.3 246 248 A Y H >< S+ 0 0 14 -4,-2.1 3,-0.6 -5,-0.3 4,-0.3 0.871 110.4 48.4 -69.7 -35.2 -14.3 12.6 7.6 247 249 A I H >X S+ 0 0 21 -4,-2.7 3,-1.6 1,-0.2 4,-0.6 0.782 98.8 68.2 -74.5 -26.3 -11.8 13.2 4.8 248 250 A E H >X S+ 0 0 18 -4,-2.0 4,-1.8 1,-0.3 3,-0.6 0.801 85.8 73.3 -58.6 -27.3 -9.1 11.4 6.8 249 251 A I H S+ 0 0 2 -3,-1.6 4,-2.2 -4,-0.3 -1,-0.2 0.923 103.8 46.6 -61.7 -43.0 -10.1 8.5 2.5 251 253 A D H S+ 0 0 8 -4,-2.3 5,-3.2 2,-0.2 6,-0.4 0.946 113.0 46.1 -59.7 -46.7 -9.1 3.5 2.9 254 256 A R H ><5S+ 0 0 54 -4,-2.2 3,-1.6 1,-0.2 -2,-0.2 0.903 111.4 50.8 -62.1 -43.4 -5.8 4.0 1.0 255 257 A Q H 3<5S+ 0 0 126 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.808 109.5 51.1 -66.2 -30.0 -3.8 2.6 3.9 256 258 A A T ><5S- 0 0 29 -4,-1.9 3,-1.2 -5,-0.2 -1,-0.3 0.233 120.2-113.7 -87.1 11.8 -6.0 -0.4 4.1 257 259 A N T < 5 - 0 0 117 -3,-1.6 -55,-0.2 1,-0.2 -3,-0.2 0.852 60.6 -67.4 56.0 38.6 -5.5 -0.9 0.3 258 260 A Y T 3 - 0 0 125 -2,-0.7 4,-1.7 1,-0.1 3,-0.3 -0.065 19.5-118.0 -44.9 145.9 -8.9 6.4 15.7 268 270 A K H > S+ 0 0 149 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.877 115.9 53.9 -54.8 -38.6 -10.3 8.7 18.5 269 271 A R H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 105.7 52.5 -70.1 -32.9 -6.7 9.9 19.3 270 272 A K H > S+ 0 0 54 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.828 104.7 56.1 -70.1 -33.3 -6.2 10.9 15.6 271 273 A K H X S+ 0 0 10 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.894 107.2 49.6 -62.0 -40.4 -9.4 12.9 15.8 272 274 A A H X S+ 0 0 33 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.906 109.1 52.4 -66.7 -38.4 -8.0 14.8 18.7 273 275 A K H X S+ 0 0 101 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.923 107.8 51.0 -60.9 -45.7 -4.8 15.4 16.8 274 276 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.911 109.5 50.4 -60.0 -42.9 -6.7 16.8 13.8 275 277 A F H X S+ 0 0 43 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.913 108.5 51.6 -62.0 -44.2 -8.6 19.2 16.1 276 278 A H H X S+ 0 0 144 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.921 109.8 51.2 -56.5 -43.3 -5.4 20.4 17.7 277 279 A E H < S+ 0 0 86 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.871 108.0 52.5 -59.4 -41.2 -4.1 21.0 14.2 278 280 A I H < S+ 0 0 5 -4,-2.0 3,-0.4 1,-0.2 4,-0.4 0.858 106.7 50.4 -69.7 -37.1 -7.1 23.0 13.3 279 281 A N H < S+ 0 0 67 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.689 87.2 82.2 -77.8 -19.4 -7.0 25.4 16.2 280 282 A S S < S+ 0 0 99 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.1 0.124 107.3 32.6 -67.3 24.1 -3.3 26.2 15.5 281 283 A K 0 0 136 -3,-0.4 -1,-0.2 1,-0.0 -2,-0.2 0.322 360.0 360.0-153.0 -16.0 -4.9 28.6 13.1 282 284 A Y 0 0 100 -4,-0.4 -3,-0.0 -3,-0.3 -1,-0.0 -0.711 360.0 360.0 -94.5 360.0 -8.1 29.6 14.8