==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-MAR-12 4E9U . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR F.-Y.LIN,J.AXELSON,Y.-L.LIU,Y.ZHNAG,E.OLDFIELD . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 73.9 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 . 6 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 170 59.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 1 0 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 0 144 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.9 32.6 -16.7 34.5 2 2 A T > - 0 0 83 1,-0.1 4,-1.5 4,-0.0 5,-0.1 -0.253 360.0 -99.3 -81.6 175.4 35.9 -17.8 33.0 3 3 A M H > S+ 0 0 148 1,-0.2 4,-1.7 2,-0.2 3,-0.2 0.928 124.8 49.8 -59.2 -45.0 38.1 -15.8 30.6 4 4 A M H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.851 105.1 57.1 -65.9 -36.3 36.8 -17.7 27.6 5 5 A D H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.896 106.5 51.2 -55.9 -41.6 33.2 -17.2 28.7 6 6 A M H X S+ 0 0 107 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.856 107.7 52.2 -65.7 -38.4 34.0 -13.4 28.6 7 7 A N H X S+ 0 0 10 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.950 112.7 44.1 -61.4 -49.3 35.4 -13.8 25.1 8 8 A F H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.883 109.3 56.7 -65.9 -37.6 32.2 -15.5 23.9 9 9 A K H X S+ 0 0 135 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.888 106.4 50.8 -62.1 -36.7 30.0 -13.0 25.7 10 10 A Y H X S+ 0 0 36 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.908 108.5 51.4 -63.8 -43.7 31.7 -10.2 23.8 11 11 A C H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.914 109.1 51.3 -56.7 -43.2 31.1 -12.1 20.5 12 12 A H H X S+ 0 0 41 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.930 107.6 53.0 -59.4 -46.1 27.4 -12.4 21.5 13 13 A K H X S+ 0 0 138 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.917 108.7 49.0 -54.3 -47.6 27.3 -8.7 22.1 14 14 A I H X S+ 0 0 31 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.903 113.2 47.8 -61.7 -39.7 28.6 -7.9 18.7 15 15 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 8,-0.3 0.908 112.9 46.2 -69.3 -43.8 26.1 -10.3 17.1 16 16 A K H < S+ 0 0 102 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 110.4 54.3 -68.2 -33.8 23.0 -9.0 18.9 17 17 A K H < S+ 0 0 171 -4,-2.1 -1,-0.2 -5,-0.3 3,-0.2 0.870 115.9 38.4 -68.9 -36.2 24.0 -5.3 18.3 18 18 A H H < S+ 0 0 76 -4,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.839 130.2 16.9 -85.7 -36.4 24.2 -6.0 14.5 19 19 A S X + 0 0 5 -4,-2.3 4,-2.2 -5,-0.1 -1,-0.2 -0.816 48.4 177.0-146.1 103.0 21.3 -8.3 14.0 20 20 A K H > S+ 0 0 102 -2,-0.3 4,-2.8 -3,-0.2 5,-0.2 0.849 89.3 55.5 -68.9 -34.5 18.4 -8.8 16.4 21 21 A S H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.960 111.8 41.5 -63.3 -49.4 16.7 -11.2 13.9 22 22 A F H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.917 116.5 48.9 -66.8 -45.1 19.7 -13.4 13.7 23 23 A S H X S+ 0 0 2 -4,-2.2 4,-2.6 -8,-0.3 -1,-0.2 0.921 105.2 58.7 -58.2 -48.1 20.5 -13.3 17.4 24 24 A Y H < S+ 0 0 59 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.934 115.1 34.8 -49.8 -53.0 16.9 -14.1 18.3 25 25 A A H >< S+ 0 0 0 -4,-1.7 3,-2.2 1,-0.2 -2,-0.2 0.973 119.5 46.0 -67.1 -56.1 16.9 -17.4 16.5 26 26 A F H >< S+ 0 0 8 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.699 98.6 69.6 -72.2 -19.0 20.5 -18.5 17.0 27 27 A D T 3< S+ 0 0 28 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.648 89.5 68.3 -66.2 -11.3 20.4 -17.8 20.7 28 28 A L T < S+ 0 0 80 -3,-2.2 -1,-0.2 -4,-0.2 -2,-0.2 0.592 79.0 104.7 -83.7 -10.1 18.0 -20.7 20.9 29 29 A L S < S- 0 0 6 -3,-1.3 208,-0.1 -4,-0.2 6,-0.0 -0.243 87.6 -85.3 -65.5 157.5 20.7 -23.2 20.0 30 30 A P > - 0 0 55 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.228 52.5 -97.8 -54.8 157.6 22.3 -25.5 22.7 31 31 A E H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.876 118.5 45.3 -53.6 -53.5 25.1 -23.8 24.6 32 32 A D H > S+ 0 0 131 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 117.8 44.6 -61.8 -38.7 28.2 -25.2 22.7 33 33 A Q H > S+ 0 0 46 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.913 111.2 52.2 -75.7 -40.6 26.6 -24.6 19.3 34 34 A R H X S+ 0 0 58 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.917 108.9 50.6 -59.6 -43.7 25.4 -21.1 20.1 35 35 A K H X S+ 0 0 27 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.925 108.8 51.2 -62.2 -43.5 28.8 -19.9 21.3 36 36 A A H X S+ 0 0 8 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.910 109.5 51.2 -59.9 -40.9 30.5 -21.2 18.2 37 37 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.924 108.2 51.9 -62.8 -43.5 27.9 -19.3 16.1 38 38 A W H X S+ 0 0 15 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.905 110.5 48.3 -55.3 -46.3 28.6 -16.1 18.1 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.931 114.1 44.5 -65.6 -47.4 32.4 -16.4 17.5 40 40 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.944 115.1 49.0 -61.3 -48.5 32.1 -17.0 13.7 41 41 A Y H X S+ 0 0 27 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.926 110.6 50.6 -55.8 -47.5 29.5 -14.2 13.4 42 42 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.903 108.3 51.5 -63.0 -40.9 31.7 -11.8 15.3 43 43 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.942 111.6 48.1 -59.4 -46.3 34.7 -12.5 13.2 44 44 A C H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 111.0 50.0 -62.6 -41.2 32.7 -11.9 10.1 45 45 A R H X S+ 0 0 35 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.885 109.4 51.9 -62.2 -41.2 31.3 -8.6 11.5 46 46 A K H < S+ 0 0 52 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.881 110.5 47.9 -65.3 -40.1 34.8 -7.5 12.4 47 47 A I H >< S+ 0 0 0 -4,-2.2 3,-1.3 -5,-0.2 4,-0.4 0.944 110.6 52.2 -62.5 -48.3 36.0 -8.2 8.8 48 48 A D H 3< S+ 0 0 51 -4,-2.5 3,-0.2 1,-0.3 -2,-0.2 0.843 117.3 37.5 -57.3 -37.8 33.0 -6.3 7.3 49 49 A D T >< S+ 0 0 89 -4,-2.0 3,-0.6 1,-0.2 -1,-0.3 0.356 89.2 101.5 -94.1 1.6 33.6 -3.2 9.4 50 50 A S G X + 0 0 1 -3,-1.3 3,-1.8 -4,-0.4 4,-0.4 0.855 69.3 61.1 -63.2 -40.4 37.4 -3.3 9.3 51 51 A I G 3>>S+ 0 0 36 -4,-0.4 4,-1.2 1,-0.3 5,-0.6 0.842 97.8 58.9 -59.8 -35.0 38.1 -0.6 6.6 52 52 A D G <45S+ 0 0 146 -3,-0.6 -1,-0.3 3,-0.2 -2,-0.1 0.235 82.2 88.9 -81.9 16.9 36.5 2.2 8.6 53 53 A V T <45S- 0 0 73 -3,-1.8 -1,-0.2 3,-0.3 -2,-0.1 0.981 122.7 -13.7 -75.7 -60.7 38.9 1.7 11.6 54 54 A Y T 45S- 0 0 174 -4,-0.4 -2,-0.2 -3,-0.4 -3,-0.1 0.477 106.6 -98.1-107.8 -14.2 41.6 4.1 10.4 55 55 A G T <5S+ 0 0 53 -4,-1.2 2,-0.2 1,-0.4 -3,-0.2 0.706 95.3 71.7 96.9 28.9 40.1 4.2 6.9 56 56 A D S S+ 0 0 49 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.372 88.7 102.4 -88.9 5.8 43.3 -2.1 5.1 58 58 A Q H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 85.9 40.7 -56.0 -53.5 45.6 -2.2 8.1 59 59 A F H > S+ 0 0 25 -3,-0.4 4,-2.3 -9,-0.3 -1,-0.2 0.890 113.2 54.9 -64.7 -38.7 43.2 -3.8 10.5 60 60 A L H > S+ 0 0 0 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.926 105.9 52.1 -62.6 -43.5 41.9 -6.2 7.8 61 61 A N H X S+ 0 0 57 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.888 109.8 50.1 -56.2 -40.6 45.4 -7.4 7.1 62 62 A Q H X S+ 0 0 62 -4,-1.6 4,-2.4 2,-0.2 20,-0.3 0.893 108.4 51.7 -67.2 -40.5 45.9 -8.1 10.9 63 63 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.943 110.0 49.7 -58.0 -49.0 42.6 -10.0 11.1 64 64 A K H X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.895 110.3 50.1 -58.6 -43.9 43.6 -12.2 8.1 65 65 A E H X S+ 0 0 84 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.883 108.7 52.5 -63.9 -38.3 47.0 -12.9 9.8 66 66 A D H X S+ 0 0 2 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.948 110.6 47.4 -60.2 -49.3 45.3 -13.9 13.0 67 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.883 110.3 52.9 -58.9 -39.2 43.1 -16.4 11.2 68 68 A Q H X S+ 0 0 73 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.863 107.1 52.2 -66.5 -34.2 46.1 -17.7 9.3 69 69 A S H X S+ 0 0 40 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.923 110.2 48.4 -66.5 -43.4 47.9 -18.3 12.6 70 70 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 111.6 50.3 -60.1 -46.5 44.9 -20.3 13.9 71 71 A E H < S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 118.9 35.7 -59.9 -44.9 44.7 -22.4 10.8 72 72 A K H < S+ 0 0 145 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.832 135.7 21.4 -84.6 -30.0 48.4 -23.3 10.7 73 73 A Y >< + 0 0 144 -4,-2.9 3,-1.5 -5,-0.2 -1,-0.2 -0.527 66.7 163.9-134.3 67.4 48.8 -23.6 14.5 74 74 A P T 3 S+ 0 0 38 0, 0.0 21,-0.1 0, 0.0 -1,-0.1 0.750 80.0 42.7 -61.1 -22.7 45.4 -24.2 16.1 75 75 A Y T 3 S+ 0 0 161 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.349 93.5 95.0-106.2 3.4 46.9 -25.4 19.4 76 76 A E S < S- 0 0 111 -3,-1.5 2,-0.4 -7,-0.2 -3,-0.1 -0.666 82.8-107.0 -90.3 151.8 49.7 -22.9 19.9 77 77 A Y - 0 0 135 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.641 41.2-163.0 -72.9 131.8 49.3 -19.7 21.9 78 78 A H - 0 0 23 -2,-0.4 2,-1.1 2,-0.0 -12,-0.0 -0.954 24.9-140.9-121.4 139.2 49.1 -16.7 19.7 79 79 A H - 0 0 165 -2,-0.4 2,-0.1 2,-0.0 -2,-0.0 -0.802 37.5-143.0 -89.3 91.8 49.5 -13.0 20.4 80 80 A F - 0 0 23 -2,-1.1 4,-0.2 1,-0.1 -17,-0.1 -0.323 12.3-153.1 -64.9 135.4 46.7 -11.9 18.1 81 81 A Q S S+ 0 0 90 -19,-0.3 -18,-0.2 2,-0.1 -1,-0.1 0.711 80.5 33.9 -78.1 -24.4 47.2 -8.6 16.2 82 82 A S S S- 0 0 23 -20,-0.3 2,-0.8 1,-0.2 -19,-0.1 0.624 124.5 -12.1-101.5-109.0 43.6 -7.6 15.8 83 83 A D > - 0 0 14 1,-0.2 4,-2.2 2,-0.0 5,-0.2 -0.863 58.0-166.5-100.7 106.3 40.7 -8.3 18.3 84 84 A R H > S+ 0 0 104 -2,-0.8 4,-2.9 1,-0.2 5,-0.3 0.903 83.0 54.8 -59.1 -46.8 42.1 -10.7 20.9 85 85 A R H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.919 112.5 42.7 -56.5 -46.4 38.7 -11.6 22.4 86 86 A I H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 114.7 49.7 -69.4 -39.0 37.2 -12.6 19.1 87 87 A M H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.868 108.7 51.8 -72.9 -34.9 40.3 -14.5 17.9 88 88 A M H X S+ 0 0 28 -4,-2.9 4,-2.0 -5,-0.2 -1,-0.2 0.906 111.4 49.0 -62.3 -41.1 40.7 -16.5 21.2 89 89 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.933 112.4 47.0 -64.9 -44.6 37.0 -17.5 20.8 90 90 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.912 110.6 52.2 -63.2 -42.1 37.5 -18.5 17.2 91 91 A Q H X S+ 0 0 12 -4,-2.7 4,-1.6 2,-0.2 -1,-0.2 0.901 108.0 52.1 -60.1 -38.2 40.6 -20.5 18.1 92 92 A H H X S+ 0 0 66 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.928 110.9 47.6 -63.7 -44.3 38.7 -22.3 20.8 93 93 A V H >X S+ 0 0 6 -4,-2.1 4,-2.0 1,-0.2 3,-1.8 0.944 108.4 55.1 -59.0 -48.4 36.0 -23.2 18.2 94 94 A A H 3< S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.3 5,-0.2 0.786 100.7 59.2 -57.0 -33.0 38.7 -24.4 15.7 95 95 A Q H 3< S+ 0 0 57 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.716 117.5 31.8 -70.2 -17.5 40.1 -26.8 18.2 96 96 A H H << S+ 0 0 127 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.616 121.6 39.5-114.5 -19.5 36.7 -28.5 18.4 97 97 A K S < S- 0 0 91 -4,-2.0 2,-0.9 -5,-0.1 -1,-0.1 -0.931 82.8-103.7-134.5 156.9 35.3 -28.2 14.9 98 98 A N - 0 0 108 -2,-0.3 2,-0.4 -3,-0.1 46,-0.1 -0.699 40.0-159.4 -80.2 103.9 36.4 -28.3 11.3 99 99 A I - 0 0 7 -2,-0.9 2,-1.7 -5,-0.2 3,-0.2 -0.738 17.4-134.4 -88.7 131.2 36.6 -24.6 10.2 100 100 A A >> + 0 0 27 -2,-0.4 3,-1.4 40,-0.2 4,-0.9 -0.583 29.8 177.3 -80.0 81.8 36.4 -23.8 6.5 101 101 A F H 3> S+ 0 0 26 -2,-1.7 4,-1.9 1,-0.3 3,-0.4 0.816 73.1 62.7 -59.6 -34.6 39.3 -21.3 6.5 102 102 A Q H 3> S+ 0 0 114 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.809 98.2 59.9 -64.0 -25.3 39.2 -20.7 2.8 103 103 A S H <> S+ 0 0 8 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.890 103.4 48.7 -67.1 -39.0 35.7 -19.4 3.3 104 104 A F H X S+ 0 0 1 -4,-0.9 4,-2.6 -3,-0.4 -2,-0.2 0.893 111.2 51.3 -63.7 -40.1 37.0 -16.7 5.6 105 105 A Y H X S+ 0 0 17 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.886 107.8 52.0 -67.6 -36.6 39.7 -15.8 3.0 106 106 A N H X S+ 0 0 44 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.929 111.1 47.8 -61.5 -44.7 37.0 -15.6 0.3 107 107 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.931 112.1 49.3 -61.1 -45.2 35.0 -13.2 2.6 108 108 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.911 109.0 51.8 -63.7 -43.1 38.1 -11.1 3.3 109 109 A D H X S+ 0 0 57 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.879 107.9 53.3 -59.5 -39.0 39.0 -10.9 -0.4 110 110 A T H X S+ 0 0 27 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.944 107.9 49.6 -60.9 -47.1 35.5 -9.7 -1.1 111 111 A V H X S+ 0 0 13 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.903 107.8 54.5 -59.3 -42.7 35.9 -6.9 1.5 112 112 A Y H >< S+ 0 0 47 -4,-2.4 3,-1.0 1,-0.2 -1,-0.2 0.901 108.9 49.1 -52.3 -44.4 39.2 -6.0 -0.1 113 113 A K H >< S+ 0 0 127 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.818 97.2 70.6 -68.1 -30.7 37.4 -5.6 -3.4 114 114 A D H >< S+ 0 0 41 -4,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.696 82.8 70.2 -66.5 -19.2 34.7 -3.5 -1.9 115 115 A Q T << S+ 0 0 90 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.573 107.2 38.3 -76.3 -10.3 37.1 -0.5 -1.4 116 116 A H T < S+ 0 0 130 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.1 -0.316 92.4 173.7-125.8 50.7 37.1 -0.0 -5.2 117 117 A F < + 0 0 40 -3,-1.3 2,-0.3 3,-0.0 -3,-0.1 -0.307 10.4 175.6 -59.1 130.9 33.4 -0.9 -5.6 118 118 A T - 0 0 108 -2,-0.0 3,-0.1 64,-0.0 -2,-0.1 -0.948 42.1 -89.6-129.0 154.4 31.9 -0.5 -9.0 119 119 A M - 0 0 57 -2,-0.3 2,-0.4 1,-0.1 64,-0.1 -0.184 47.6 -99.2 -62.4 153.5 28.3 -1.5 -9.7 120 120 A F - 0 0 22 62,-0.4 66,-2.9 64,-0.2 67,-0.2 -0.629 23.0-153.4 -76.8 130.0 27.6 -5.0 -10.8 121 121 A E S S+ 0 0 98 -2,-0.4 66,-1.9 64,-0.2 2,-0.3 0.889 76.9 13.2 -66.4 -41.0 27.2 -5.3 -14.6 122 122 A T S >> S- 0 0 58 64,-0.2 4,-1.6 65,-0.1 3,-0.7 -0.854 79.4-105.8-135.8 166.6 25.0 -8.4 -14.3 123 123 A D H 3> S+ 0 0 9 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.820 116.7 65.5 -63.6 -29.1 23.1 -10.4 -11.8 124 124 A A H 3> S+ 0 0 75 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.882 103.1 46.6 -57.9 -40.6 25.8 -13.0 -12.0 125 125 A E H <> S+ 0 0 83 -3,-0.7 4,-1.7 2,-0.2 -1,-0.2 0.856 111.7 51.4 -66.6 -40.8 28.2 -10.5 -10.4 126 126 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.921 111.1 46.9 -62.3 -46.7 25.7 -9.6 -7.8 127 127 A F H X S+ 0 0 69 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.853 107.8 56.9 -65.4 -34.5 25.2 -13.2 -6.9 128 128 A G H X S+ 0 0 42 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.897 107.6 49.1 -58.6 -39.7 29.0 -13.6 -6.8 129 129 A Y H X S+ 0 0 35 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.906 107.6 53.2 -64.8 -43.0 29.0 -10.8 -4.2 130 130 A C H X>S+ 0 0 1 -4,-2.0 5,-2.1 1,-0.2 4,-1.4 0.868 110.9 47.7 -63.0 -37.6 26.3 -12.5 -2.2 131 131 A Y H <>S+ 0 0 56 -4,-2.2 5,-2.4 3,-0.2 3,-0.3 0.970 111.2 52.3 -61.0 -53.2 28.4 -15.6 -2.1 132 132 A G H <5S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -22,-0.2 0.865 121.3 27.7 -53.7 -45.1 31.4 -13.6 -1.1 133 133 A V H <5S+ 0 0 15 -4,-2.6 -1,-0.2 -23,-0.1 -2,-0.2 0.617 141.6 9.5 -95.9 -13.3 29.9 -11.8 1.9 134 134 A A T X5S+ 0 0 11 -4,-1.4 4,-2.0 -5,-0.3 -3,-0.2 0.623 117.3 61.2-138.8 -42.9 27.3 -14.3 3.0 135 135 A G H > S+ 0 0 24 -6,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.925 106.8 51.3 -65.4 -42.4 29.5 -17.4 6.2 138 138 A G H X S+ 0 0 9 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.885 108.6 53.0 -56.9 -40.6 27.0 -20.2 5.7 139 139 A E H >< S+ 0 0 17 -4,-2.0 3,-0.7 2,-0.2 -2,-0.2 0.918 108.6 48.4 -63.3 -44.9 29.9 -22.4 4.7 140 140 A V H 3< S+ 0 0 2 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.916 112.8 49.1 -62.4 -41.0 31.9 -21.7 7.9 141 141 A L H >X S+ 0 0 12 -4,-2.3 4,-1.8 1,-0.2 3,-0.8 0.633 86.9 92.3 -71.7 -15.6 28.8 -22.4 10.0 142 142 A T H - 0 0 71 -2,-0.3 4,-1.7 82,-0.1 3,-0.3 -0.680 54.3 -90.2-118.1 179.5 28.3 -33.5 3.0 151 151 A H H > S+ 0 0 142 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.822 128.3 58.7 -60.7 -29.1 28.4 -31.3 -0.1 152 152 A Q H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.899 101.3 52.5 -65.2 -44.6 24.7 -31.0 0.2 153 153 A T H > S+ 0 0 2 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.945 113.5 43.7 -57.8 -49.6 24.9 -29.5 3.7 154 154 A Y H X S+ 0 0 44 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.906 112.1 54.0 -61.4 -42.9 27.3 -26.9 2.5 155 155 A D H X S+ 0 0 50 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.938 111.4 44.0 -59.0 -47.3 25.3 -26.3 -0.6 156 156 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.913 115.1 47.9 -64.7 -46.3 22.1 -25.6 1.4 157 157 A A H X S+ 0 0 9 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.902 111.5 51.3 -59.2 -44.7 23.9 -23.4 4.0 158 158 A R H X S+ 0 0 66 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.930 110.6 48.8 -58.8 -46.5 25.5 -21.4 1.2 159 159 A R H X S+ 0 0 57 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.902 110.8 49.8 -62.5 -43.8 22.2 -20.9 -0.5 160 160 A L H X S+ 0 0 17 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.931 109.8 51.9 -59.0 -44.9 20.5 -19.7 2.7 161 161 A G H X S+ 0 0 12 -4,-2.5 4,-2.2 1,-0.2 -26,-0.2 0.924 110.9 47.3 -58.9 -44.3 23.4 -17.3 3.4 162 162 A E H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.809 109.9 52.5 -69.9 -30.0 23.0 -15.8 -0.1 163 163 A S H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.885 108.6 50.8 -70.3 -40.7 19.3 -15.5 0.3 164 164 A L H X S+ 0 0 22 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.923 109.1 51.5 -62.0 -44.3 19.7 -13.6 3.5 165 165 A Q H X S+ 0 0 37 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.911 109.0 50.2 -58.7 -44.7 22.1 -11.3 1.9 166 166 A L H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.891 110.4 50.5 -62.9 -39.8 19.7 -10.6 -1.0 167 167 A I H X S+ 0 0 3 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.905 107.6 53.0 -64.0 -40.4 17.0 -9.9 1.6 168 168 A N H X S+ 0 0 26 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.908 110.4 48.6 -56.8 -43.0 19.4 -7.5 3.4 169 169 A I H < S+ 0 0 6 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.902 109.4 51.4 -64.5 -42.4 19.9 -5.7 0.1 170 170 A L H < S+ 0 0 3 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.805 113.7 46.0 -67.7 -30.2 16.2 -5.5 -0.6 171 171 A R H < S+ 0 0 29 -4,-1.9 95,-0.4 1,-0.2 3,-0.3 0.818 115.4 45.0 -76.7 -32.5 15.7 -4.0 2.9 172 172 A D X + 0 0 20 -4,-1.9 4,-3.3 1,-0.2 5,-0.4 0.119 66.7 123.1-109.4 21.8 18.5 -1.5 2.7 173 173 A V H > S+ 0 0 14 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.912 82.6 41.2 -45.8 -53.9 18.2 0.1 -0.8 174 174 A G H > S+ 0 0 3 87,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.936 116.6 46.8 -65.0 -50.0 17.9 3.7 0.6 175 175 A E H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.924 114.1 48.5 -57.5 -46.8 20.6 3.4 3.3 176 176 A D H <>S+ 0 0 26 -4,-3.3 5,-2.9 1,-0.2 3,-0.2 0.915 109.1 54.4 -61.2 -41.1 23.0 1.7 0.8 177 177 A F H ><5S+ 0 0 50 -4,-2.4 3,-2.2 -5,-0.4 -2,-0.2 0.939 105.0 52.1 -59.8 -46.1 22.3 4.5 -1.7 178 178 A E H 3<5S+ 0 0 105 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.5 52.3 -55.6 -32.9 23.2 7.2 0.8 179 179 A N T 3<5S- 0 0 90 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.100 125.8-106.6 -93.4 22.8 26.4 5.3 1.4 180 180 A E T < 5S+ 0 0 163 -3,-2.2 2,-0.4 1,-0.2 -3,-0.2 0.853 79.1 130.0 57.6 39.9 27.0 5.4 -2.4 181 181 A R < + 0 0 58 -5,-2.9 2,-0.4 -8,-0.2 -1,-0.2 -0.987 30.7 175.9-127.0 127.6 26.2 1.7 -2.9 182 182 A I + 0 0 33 -2,-0.4 -62,-0.4 1,-0.1 -9,-0.0 -0.987 2.9 179.5-125.7 123.6 23.8 0.2 -5.4 183 183 A Y + 0 0 27 -2,-0.4 2,-0.1 -14,-0.1 -1,-0.1 0.643 50.4 101.4-102.4 -17.1 23.6 -3.6 -5.5 184 184 A F S S- 0 0 5 1,-0.1 -64,-0.2 -15,-0.1 -2,-0.0 -0.478 83.7-105.1 -60.8 139.1 21.0 -4.1 -8.2 185 185 A S > - 0 0 0 -2,-0.1 4,-2.5 1,-0.1 -64,-0.2 -0.283 13.8-125.9 -68.8 153.3 22.8 -5.0 -11.4 186 186 A K H > S+ 0 0 93 -66,-2.9 4,-2.4 2,-0.2 5,-0.3 0.874 111.5 57.2 -65.1 -36.5 23.1 -2.5 -14.3 187 187 A Q H > S+ 0 0 75 -66,-1.9 4,-2.6 -67,-0.2 -1,-0.2 0.978 111.9 39.9 -54.6 -56.2 21.6 -5.1 -16.6 188 188 A R H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.866 113.5 53.5 -68.5 -37.0 18.5 -5.3 -14.5 189 189 A L H <>S+ 0 0 15 -4,-2.5 5,-2.9 2,-0.2 4,-0.3 0.913 113.0 44.5 -61.5 -43.8 18.3 -1.6 -13.7 190 190 A K H ><5S+ 0 0 181 -4,-2.4 3,-1.2 3,-0.2 -2,-0.2 0.933 111.6 52.7 -66.8 -47.3 18.4 -0.8 -17.5 191 191 A Q H 3<5S+ 0 0 94 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.894 115.9 39.5 -54.5 -42.9 15.9 -3.5 -18.3 192 192 A Y T 3<5S- 0 0 55 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.416 109.7-122.1 -90.2 2.5 13.4 -2.2 -15.8 193 193 A E T < 5 + 0 0 143 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.928 58.2 154.2 57.4 50.4 14.1 1.4 -16.6 194 194 A V < - 0 0 15 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.2 -0.886 31.4-173.6-116.8 139.3 15.0 2.2 -13.0 195 195 A D > - 0 0 93 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.943 11.7-158.6-130.1 108.5 17.3 4.9 -11.6 196 196 A I H > S+ 0 0 4 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.876 93.9 52.1 -57.8 -41.7 18.0 4.6 -7.8 197 197 A A H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.944 111.3 48.5 -58.4 -45.4 19.0 8.3 -7.5 198 198 A E H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.948 114.0 45.7 -59.1 -48.4 15.8 9.3 -9.2 199 199 A V H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.843 108.1 56.6 -65.3 -35.1 13.7 7.0 -7.0 200 200 A Y H < S+ 0 0 43 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.899 115.3 39.1 -63.6 -36.3 15.5 8.2 -3.9 201 201 A Q H < S+ 0 0 144 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.901 128.5 27.5 -77.4 -40.9 14.4 11.7 -4.8 202 202 A N H < S- 0 0 115 -4,-2.5 -3,-0.2 1,-0.3 -2,-0.2 0.353 104.6-113.0-114.2 1.1 10.9 11.2 -6.1 203 203 A G < - 0 0 34 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.091 51.5 -38.6 88.2 169.6 9.6 8.0 -4.3 204 204 A V - 0 0 53 55,-0.3 2,-0.3 -4,-0.1 56,-0.0 -0.050 53.5-178.4 -60.4 165.5 8.7 4.6 -5.7 205 205 A N > - 0 0 58 1,-0.0 4,-2.0 0, 0.0 5,-0.2 -0.898 45.3 -88.8-149.7-179.5 7.0 4.0 -9.0 206 206 A N H > S+ 0 0 123 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.853 122.2 56.0 -68.7 -34.0 5.8 0.9 -10.8 207 207 A H H > S+ 0 0 76 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.943 109.9 46.6 -59.3 -45.8 9.1 0.2 -12.6 208 208 A Y H > S+ 0 0 2 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.922 111.1 51.0 -63.5 -44.4 11.0 0.2 -9.3 209 209 A I H X S+ 0 0 39 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.904 110.6 49.1 -60.8 -43.6 8.4 -2.1 -7.6 210 210 A D H X S+ 0 0 88 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.937 113.5 47.0 -59.7 -47.6 8.6 -4.5 -10.5 211 211 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.942 114.3 47.0 -59.3 -48.6 12.5 -4.5 -10.3 212 212 A W H X S+ 0 0 1 -4,-3.3 4,-2.5 1,-0.2 3,-0.3 0.934 112.7 48.9 -57.8 -47.7 12.3 -4.9 -6.5 213 213 A E H X S+ 0 0 52 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.813 102.5 63.1 -67.0 -30.0 9.8 -7.8 -6.7 214 214 A Y H X S+ 0 0 71 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.926 110.7 38.1 -57.2 -46.3 11.9 -9.5 -9.4 215 215 A Y H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.3 -2,-0.2 0.893 112.3 57.1 -74.6 -40.2 14.7 -9.9 -6.8 216 216 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.874 103.5 55.3 -56.5 -38.9 12.3 -10.6 -4.0 217 217 A A H X S+ 0 0 54 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.905 106.3 51.4 -61.7 -40.5 10.9 -13.5 -6.0 218 218 A I H X S+ 0 0 38 -4,-1.1 4,-2.5 1,-0.2 -2,-0.2 0.938 110.0 48.4 -60.3 -47.5 14.4 -15.0 -6.3 219 219 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.907 112.5 48.7 -59.6 -44.4 15.0 -14.7 -2.5 220 220 A E H X S+ 0 0 48 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.871 111.0 48.8 -68.3 -35.9 11.7 -16.4 -1.8 221 221 A K H X S+ 0 0 126 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.928 112.2 48.7 -69.7 -41.1 12.2 -19.3 -4.2 222 222 A D H X S+ 0 0 47 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.911 109.8 54.3 -62.5 -38.3 15.7 -19.9 -2.8 223 223 A F H X S+ 0 0 32 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.931 107.6 48.4 -60.2 -49.7 14.1 -19.8 0.6 224 224 A R H X S+ 0 0 131 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.881 109.8 52.5 -59.1 -40.6 11.6 -22.5 -0.2 225 225 A D H X S+ 0 0 59 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.899 109.5 49.2 -65.6 -37.7 14.3 -24.7 -1.7 226 226 A V H >< S+ 0 0 0 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.925 109.0 53.2 -62.9 -43.5 16.3 -24.4 1.5 227 227 A M H >< S+ 0 0 34 -4,-2.5 3,-1.3 1,-0.3 -2,-0.2 0.894 103.7 56.5 -58.8 -40.3 13.2 -25.3 3.5 228 228 A D H 3< S+ 0 0 131 -4,-2.2 -1,-0.3 1,-0.2 3,-0.2 0.729 113.4 41.1 -60.8 -22.9 12.7 -28.4 1.4 229 229 A Q T X< S+ 0 0 56 -3,-1.2 3,-2.0 -4,-0.7 -1,-0.2 0.155 74.6 121.1-114.4 17.0 16.2 -29.5 2.4 230 230 A I G X + 0 0 17 -3,-1.3 3,-1.7 1,-0.3 -1,-0.1 0.716 59.7 76.4 -56.4 -22.8 16.2 -28.5 6.1 231 231 A K G 3 S+ 0 0 176 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.579 74.0 76.3 -73.8 -5.5 16.9 -32.1 7.1 232 232 A V G < S+ 0 0 40 -3,-2.0 -85,-0.3 -80,-0.1 -84,-0.3 0.738 88.4 78.5 -69.5 -20.5 20.6 -31.9 6.2 233 233 A F S < S- 0 0 6 -3,-1.7 -87,-0.3 -4,-0.2 5,-0.1 -0.515 100.1 -87.4 -89.9 155.6 20.9 -29.9 9.4 234 234 A S > - 0 0 5 -89,-2.4 4,-1.8 -2,-0.2 3,-0.5 -0.157 39.0-112.2 -59.0 156.1 21.0 -31.4 12.9 235 235 A I T 4 S+ 0 0 99 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.879 118.0 51.8 -60.8 -36.5 17.7 -32.0 14.6 236 236 A E T 4 S+ 0 0 84 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.824 112.5 45.4 -66.4 -32.0 18.4 -29.2 17.1 237 237 A A T > S+ 0 0 0 -3,-0.5 4,-3.3 -92,-0.2 5,-0.3 0.737 93.0 79.9 -86.3 -25.0 19.3 -26.7 14.4 238 238 A Q H X S+ 0 0 19 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.917 96.1 41.8 -54.9 -52.5 16.4 -27.3 12.1 239 239 A P H > S+ 0 0 32 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.871 117.0 51.3 -62.0 -33.4 13.7 -25.3 14.0 240 240 A I H > S+ 0 0 14 -4,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.936 111.7 44.5 -68.0 -47.5 16.3 -22.6 14.6 241 241 A I H X S+ 0 0 3 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.879 112.9 52.3 -66.6 -37.9 17.4 -22.3 11.0 242 242 A E H X S+ 0 0 19 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.928 110.3 49.3 -63.1 -41.8 13.7 -22.4 9.9 243 243 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.961 109.5 50.7 -59.7 -52.1 13.0 -19.6 12.4 244 244 A A H X S+ 0 0 3 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.917 113.2 46.6 -49.0 -47.3 15.9 -17.4 11.1 245 245 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.923 111.5 49.0 -68.2 -46.5 14.7 -17.8 7.6 246 246 A R H X S+ 0 0 60 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.872 107.9 55.1 -60.1 -39.8 11.1 -17.1 8.3 247 247 A I H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.870 111.0 46.0 -61.6 -35.6 12.0 -14.0 10.2 248 248 A Y H X S+ 0 0 10 -4,-1.5 4,-0.8 -5,-0.2 3,-0.4 0.843 108.3 54.3 -77.5 -34.7 13.9 -12.8 7.1 249 249 A I H >X S+ 0 0 13 -4,-2.2 4,-0.9 1,-0.2 3,-0.8 0.890 104.1 57.1 -63.1 -38.7 11.1 -13.6 4.7 250 250 A E H 3X S+ 0 0 22 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.765 93.3 68.8 -62.6 -26.7 8.9 -11.5 6.9 251 251 A I H 3X S+ 0 0 2 -4,-0.6 4,-1.7 -3,-0.4 -1,-0.2 0.907 94.6 56.3 -59.1 -38.8 11.3 -8.6 6.3 252 252 A L H S+ 0 0 8 -4,-1.7 5,-3.0 2,-0.2 6,-0.4 0.918 110.8 49.4 -73.3 -43.6 9.1 -3.6 3.1 256 256 A R H ><5S+ 0 0 52 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.895 110.4 53.2 -60.9 -38.9 6.0 -4.1 1.0 257 257 A Q H 3<5S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.851 106.1 50.8 -65.1 -38.9 4.0 -2.7 3.9 258 258 A A T ><5S- 0 0 25 -4,-1.4 3,-1.0 -5,-0.1 -1,-0.3 0.199 121.6-109.9 -82.3 15.6 6.1 0.4 4.2 259 259 A N T < 5 - 0 0 121 -3,-1.4 -55,-0.3 1,-0.2 -3,-0.2 0.841 63.0 -66.2 57.4 38.3 5.5 0.9 0.4 260 260 A Y T 3 - 0 0 115 -2,-0.6 4,-2.2 1,-0.1 3,-0.4 -0.195 17.4-122.2 -49.5 141.8 8.9 -6.6 15.8 270 270 A K H > S+ 0 0 154 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.853 115.8 54.6 -52.8 -35.0 10.3 -8.8 18.5 271 271 A R H > S+ 0 0 164 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.870 105.9 51.0 -70.5 -35.7 6.7 -9.9 19.3 272 272 A K H > S+ 0 0 51 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.865 106.9 54.7 -67.2 -38.4 6.2 -10.9 15.7 273 273 A K H X S+ 0 0 14 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.907 105.2 53.0 -58.9 -43.4 9.4 -13.0 15.9 274 274 A A H X S+ 0 0 31 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.881 106.8 53.7 -62.2 -36.0 7.9 -14.8 18.9 275 275 A K H X S+ 0 0 113 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.928 107.2 48.9 -62.7 -47.0 4.8 -15.6 16.9 276 276 A L H X S+ 0 0 7 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.900 109.4 54.5 -59.9 -39.7 6.8 -17.1 14.0 277 277 A F H X S+ 0 0 79 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.882 108.9 47.7 -61.2 -39.8 8.6 -19.2 16.6 278 278 A H H X S+ 0 0 134 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.948 110.3 51.4 -65.1 -48.3 5.3 -20.5 18.0 279 279 A E H < S+ 0 0 98 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.829 115.7 43.0 -57.7 -34.9 4.0 -21.3 14.5 280 280 A I H >< S+ 0 0 10 -4,-1.9 3,-1.4 -5,-0.2 -2,-0.2 0.920 111.4 50.1 -80.2 -46.7 7.2 -23.3 13.8 281 281 A N H >< S+ 0 0 84 -4,-2.6 3,-2.4 1,-0.3 -2,-0.2 0.797 95.4 74.2 -64.0 -27.5 7.6 -25.1 17.1 282 282 A S T 3< S+ 0 0 91 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.830 103.2 40.8 -53.1 -32.3 4.0 -26.3 16.8 283 283 A K T < 0 0 137 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.174 360.0 360.0-104.8 14.8 5.2 -28.7 14.1 284 284 A Y < 0 0 102 -3,-2.4 -4,-0.0 -45,-0.0 0, 0.0 -0.936 360.0 360.0-119.4 360.0 8.4 -29.7 15.9