==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-JAN-09 2ZY1 . COMPND 2 MOLECULE: DEHYDROSQUALENE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR C.I.LIU,W.Y.JENG,A.H.J.WANG,E.OLDFIELD . 279 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13970.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 74.6 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 . 7 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 60.6 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 3 0 1 1 1 1 0 0 1 0 2 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 0 149 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.4 9.8 49.6 64.3 2 2 A T > - 0 0 77 1,-0.1 4,-2.1 4,-0.0 5,-0.1 -0.268 360.0-103.1 -76.7 172.4 6.9 47.4 63.0 3 3 A M H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.940 124.5 50.9 -65.4 -41.6 7.7 44.6 60.6 4 4 A M H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.870 106.9 54.3 -64.5 -35.1 6.4 46.6 57.7 5 5 A D H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 106.5 52.5 -62.7 -40.8 8.7 49.5 58.8 6 6 A M H X S+ 0 0 105 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.894 107.0 52.5 -60.9 -40.3 11.5 47.0 58.7 7 7 A N H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.939 112.5 43.9 -61.6 -45.1 10.5 46.1 55.1 8 8 A F H X S+ 0 0 6 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.874 109.9 56.0 -69.1 -34.2 10.6 49.7 54.0 9 9 A K H X S+ 0 0 131 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.915 107.9 49.6 -63.6 -39.4 13.9 50.4 55.8 10 10 A Y H X S+ 0 0 32 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.933 109.4 50.0 -63.9 -41.6 15.4 47.6 53.9 11 11 A C H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.920 110.1 52.3 -60.8 -41.4 14.1 49.0 50.6 12 12 A H H X S+ 0 0 41 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.920 106.4 53.7 -58.1 -47.8 15.6 52.4 51.7 13 13 A K H X S+ 0 0 119 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.898 109.4 47.7 -54.2 -45.9 19.0 50.7 52.3 14 14 A I H X S+ 0 0 10 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.912 113.8 47.5 -64.3 -40.0 19.0 49.2 48.8 15 15 A M H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 8,-0.3 0.924 114.1 44.9 -70.3 -42.7 18.1 52.6 47.3 16 16 A K H < S+ 0 0 92 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.877 111.5 55.6 -67.0 -35.9 20.7 54.6 49.2 17 17 A K H < S+ 0 0 128 -4,-2.2 3,-0.3 -5,-0.3 -2,-0.2 0.938 118.4 30.9 -62.8 -46.2 23.3 52.0 48.5 18 18 A H H < S+ 0 0 100 -4,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.809 128.4 29.0 -88.9 -29.3 22.8 52.1 44.7 19 19 A S X + 0 0 10 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 -0.722 49.8 172.6-136.2 90.0 21.8 55.7 44.0 20 20 A K H > S+ 0 0 95 -2,-0.3 4,-2.2 -3,-0.3 -1,-0.1 0.830 85.7 56.9 -60.0 -30.4 23.1 58.3 46.4 21 21 A S H > S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.956 110.4 38.6 -68.5 -52.2 21.6 60.9 44.0 22 22 A F H > S+ 0 0 31 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.877 117.5 49.4 -69.6 -35.4 18.1 59.7 43.9 23 23 A S H X S+ 0 0 4 -4,-2.5 4,-2.5 -8,-0.3 -1,-0.2 0.935 106.5 58.0 -67.3 -40.4 18.0 58.8 47.7 24 24 A Y H < S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.928 118.9 30.6 -53.3 -46.6 19.4 62.3 48.4 25 25 A A H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.1 -2,-0.2 0.957 120.4 47.4 -79.3 -53.3 16.4 63.9 46.6 26 26 A F H >< S+ 0 0 19 -4,-3.0 3,-2.1 1,-0.3 -3,-0.2 0.784 97.0 70.8 -65.6 -24.1 13.6 61.5 47.2 27 27 A D T 3< S+ 0 0 34 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 0.659 89.0 67.6 -64.1 -11.3 14.3 61.1 50.9 28 28 A L T < S+ 0 0 75 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.517 79.8 104.2 -83.5 -7.1 12.9 64.8 51.2 29 29 A L S < S- 0 0 7 -3,-2.1 204,-0.0 -4,-0.2 6,-0.0 -0.311 89.8 -82.0 -72.5 161.4 9.4 63.7 50.2 30 30 A P >> - 0 0 56 0, 0.0 4,-2.9 0, 0.0 3,-0.8 -0.287 53.5-100.0 -58.3 150.3 6.7 63.4 52.8 31 31 A E H 3> S+ 0 0 93 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.816 118.5 48.6 -43.1 -52.2 6.9 60.0 54.7 32 32 A D H 3> S+ 0 0 132 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.856 115.5 44.1 -64.8 -33.7 4.2 58.1 52.8 33 33 A Q H <> S+ 0 0 41 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.894 111.8 50.6 -80.0 -41.7 5.5 59.1 49.4 34 34 A R H X S+ 0 0 62 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.904 108.2 54.4 -64.7 -34.4 9.2 58.5 50.1 35 35 A K H X S+ 0 0 40 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.930 108.6 48.5 -61.7 -44.1 8.4 55.0 51.5 36 36 A A H X S+ 0 0 6 -4,-1.3 4,-2.3 1,-0.2 5,-0.2 0.886 110.3 51.6 -63.6 -39.2 6.6 54.1 48.2 37 37 A V H X S+ 0 0 2 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.943 107.8 52.2 -63.4 -43.9 9.5 55.4 46.2 38 38 A W H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.917 110.9 48.3 -56.8 -43.4 12.0 53.3 48.2 39 39 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.938 112.9 45.7 -64.9 -46.2 9.8 50.2 47.5 40 40 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.935 114.9 48.4 -63.0 -42.3 9.5 50.8 43.7 41 41 A Y H X S+ 0 0 32 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.949 110.1 51.5 -65.3 -41.1 13.2 51.5 43.5 42 42 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.887 110.7 48.1 -62.1 -43.0 14.1 48.4 45.5 43 43 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.923 113.6 47.0 -63.9 -45.4 12.0 46.2 43.2 44 44 A C H X S+ 0 0 4 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.903 110.1 53.4 -65.3 -35.9 13.5 47.7 40.1 45 45 A R H X S+ 0 0 52 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.921 109.2 48.8 -62.3 -43.3 17.0 47.4 41.5 46 46 A K H X S+ 0 0 57 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.874 113.4 47.0 -65.0 -39.9 16.5 43.6 42.1 47 47 A I H >< S+ 0 0 0 -4,-2.0 3,-0.7 2,-0.2 4,-0.4 0.942 110.8 52.1 -64.5 -47.6 15.1 43.1 38.7 48 48 A D H 3< S+ 0 0 49 -4,-3.1 3,-0.2 1,-0.2 -2,-0.2 0.850 119.1 35.6 -59.7 -35.3 17.9 45.1 37.1 49 49 A D H 3< S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.518 87.0 102.8 -99.7 -4.8 20.5 43.0 38.9 50 50 A S << 0 0 26 -4,-1.0 5,-0.2 -3,-0.7 -1,-0.2 0.784 360.0 360.0 -48.7 -45.2 18.9 39.6 38.9 51 51 A I 0 0 117 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.994 360.0 360.0 -63.2 360.0 20.8 37.8 36.1 52 ! 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 53 57 A I > 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 8.5 16.9 33.7 35.2 54 58 A Q H > + 0 0 147 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.924 360.0 43.9 -57.1 -49.5 15.4 31.9 38.2 55 59 A F H > S+ 0 0 62 1,-0.2 4,-2.6 -5,-0.2 -1,-0.2 0.897 112.5 54.0 -64.9 -39.1 15.2 34.9 40.5 56 60 A L H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.906 107.8 49.2 -61.4 -41.3 13.9 37.1 37.8 57 61 A N H X S+ 0 0 51 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.882 110.9 51.8 -63.7 -37.9 11.0 34.6 37.0 58 62 A Q H X S+ 0 0 40 -4,-1.9 4,-2.5 2,-0.2 20,-0.4 0.928 108.0 51.1 -63.1 -45.4 10.2 34.6 40.7 59 63 A I H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.913 110.0 50.4 -59.3 -46.8 10.1 38.4 40.9 60 64 A K H X S+ 0 0 55 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.927 111.1 47.6 -59.8 -42.8 7.7 38.4 37.9 61 65 A E H X S+ 0 0 92 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.900 110.6 52.5 -66.2 -36.6 5.4 35.8 39.5 62 66 A D H X S+ 0 0 3 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.913 111.5 46.1 -61.7 -45.6 5.4 37.7 42.8 63 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.914 109.7 54.2 -65.1 -39.4 4.4 40.9 41.1 64 68 A Q H X S+ 0 0 80 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.881 106.9 52.7 -61.3 -38.1 1.7 39.1 39.1 65 69 A S H X S+ 0 0 43 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.875 109.2 48.2 -64.0 -37.8 0.3 37.8 42.4 66 70 A I H < S+ 0 0 0 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.908 111.8 50.0 -70.0 -42.5 0.1 41.3 43.8 67 71 A E H < S+ 0 0 92 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.923 117.4 38.9 -60.5 -47.1 -1.6 42.6 40.7 68 72 A K H < S+ 0 0 144 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 135.1 17.1 -73.4 -40.9 -4.2 39.8 40.6 69 73 A Y >< + 0 0 123 -4,-2.5 3,-1.5 -5,-0.2 -1,-0.2 -0.662 65.9 167.1-134.1 74.7 -4.9 39.6 44.4 70 74 A P T 3 S+ 0 0 36 0, 0.0 21,-0.1 0, 0.0 -1,-0.1 0.758 79.9 46.8 -62.1 -23.8 -3.6 42.7 46.1 71 75 A Y T 3 S+ 0 0 162 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.161 93.5 90.4-106.3 15.6 -5.4 41.9 49.4 72 76 A E S < S- 0 0 122 -3,-1.5 2,-0.4 -7,-0.2 -3,-0.1 -0.812 82.7-106.3-106.9 155.1 -4.5 38.2 49.8 73 77 A Y - 0 0 131 -2,-0.3 2,-0.4 2,-0.0 -2,-0.1 -0.652 38.1-161.9 -81.4 133.0 -1.5 37.0 51.7 74 78 A H - 0 0 23 -2,-0.4 2,-1.3 2,-0.0 -12,-0.0 -0.934 24.0-140.8-119.0 139.4 1.3 35.7 49.4 75 79 A H - 0 0 163 -2,-0.4 -2,-0.0 2,-0.0 5,-0.0 -0.784 38.7-145.3 -91.6 91.3 4.2 33.5 50.2 76 80 A F - 0 0 23 -2,-1.3 4,-0.2 1,-0.1 -17,-0.1 -0.286 14.9-157.2 -63.3 141.1 6.6 35.4 47.9 77 81 A Q S S+ 0 0 94 -19,-0.3 -18,-0.2 2,-0.1 -1,-0.1 0.733 78.8 41.1 -90.2 -26.9 9.2 33.5 46.0 78 82 A S S S- 0 0 22 -20,-0.4 2,-0.6 1,-0.2 -19,-0.1 0.857 125.8 -18.7 -89.5 -94.5 11.8 36.3 45.4 79 83 A D > - 0 0 26 1,-0.2 4,-2.5 -24,-0.1 5,-0.2 -0.915 57.5-165.3-119.4 102.5 12.6 38.9 48.1 80 84 A R H > S+ 0 0 105 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 0.866 84.1 55.7 -56.0 -42.1 9.8 38.9 50.7 81 85 A R H > S+ 0 0 120 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.940 113.0 41.8 -59.5 -46.4 10.8 42.2 52.3 82 86 A I H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 115.7 48.3 -68.8 -42.9 10.6 44.1 49.0 83 87 A M H X S+ 0 0 4 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.852 108.8 53.3 -68.2 -34.0 7.4 42.4 47.8 84 88 A M H X S+ 0 0 27 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.906 112.8 45.9 -62.9 -40.6 5.6 42.9 51.1 85 89 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.908 112.3 49.3 -69.0 -43.4 6.5 46.6 50.8 86 90 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.927 110.8 51.1 -61.9 -40.6 5.4 46.8 47.1 87 91 A Q H X S+ 0 0 10 -4,-2.7 4,-1.4 1,-0.2 -1,-0.2 0.892 106.9 53.7 -63.4 -39.1 2.1 45.1 48.0 88 92 A H H < S+ 0 0 62 -4,-1.9 4,-0.4 1,-0.2 3,-0.3 0.918 111.1 46.4 -60.0 -45.4 1.5 47.6 50.8 89 93 A V H >X S+ 0 0 7 -4,-2.1 4,-2.5 1,-0.2 3,-2.1 0.926 108.0 55.9 -61.9 -43.8 2.0 50.4 48.3 90 94 A A H 3< S+ 0 0 17 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.772 100.4 60.2 -62.3 -25.3 -0.3 48.6 45.8 91 95 A Q T 3< S+ 0 0 54 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.620 118.2 28.4 -77.4 -12.0 -3.0 48.6 48.4 92 96 A H T <4 S+ 0 0 127 -3,-2.1 2,-0.3 -4,-0.4 -2,-0.2 0.593 122.0 39.3-120.8 -20.1 -3.0 52.4 48.5 93 97 A K S < S- 0 0 83 -4,-2.5 2,-0.5 -5,-0.1 -1,-0.2 -0.915 84.5 -99.8-133.0 159.6 -1.8 53.6 45.1 94 98 A N - 0 0 103 -2,-0.3 2,-0.5 45,-0.1 46,-0.1 -0.643 38.2-158.6 -79.2 126.6 -2.3 52.7 41.5 95 99 A I - 0 0 16 -2,-0.5 2,-1.8 -5,-0.2 3,-0.2 -0.939 16.2-136.8-110.4 129.0 0.6 50.6 40.3 96 100 A A >> + 0 0 25 -2,-0.5 4,-1.1 1,-0.2 3,-1.0 -0.594 29.4 176.3 -80.1 83.8 1.4 50.4 36.6 97 101 A F H 3> S+ 0 0 28 -2,-1.8 4,-2.1 1,-0.3 3,-0.5 0.884 72.4 61.2 -62.0 -38.3 2.1 46.7 36.6 98 102 A Q H 3> S+ 0 0 113 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.804 99.7 58.9 -60.8 -25.8 2.6 46.4 32.8 99 103 A S H <> S+ 0 0 11 -3,-1.0 4,-1.9 2,-0.2 -1,-0.3 0.888 104.5 48.6 -71.7 -37.9 5.5 48.9 33.3 100 104 A F H X S+ 0 0 1 -4,-1.1 4,-2.4 -3,-0.5 -2,-0.2 0.907 111.4 50.6 -65.7 -37.6 7.2 46.4 35.6 101 105 A Y H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.880 107.7 53.1 -70.0 -28.6 6.6 43.6 33.1 102 106 A N H X S+ 0 0 43 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.889 110.2 48.0 -68.8 -38.4 8.1 45.8 30.4 103 107 A L H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.933 112.1 48.3 -65.8 -45.8 11.2 46.3 32.6 104 108 A I H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.923 110.9 51.3 -61.8 -42.2 11.4 42.5 33.3 105 109 A D H X S+ 0 0 57 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.849 109.7 50.9 -62.4 -35.8 11.1 41.7 29.6 106 110 A T H X S+ 0 0 17 -4,-1.6 4,-1.7 22,-0.2 -1,-0.2 0.910 109.8 48.4 -69.7 -42.6 13.8 44.2 28.8 107 111 A V H < S+ 0 0 15 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 110.0 53.2 -69.0 -32.5 16.2 42.7 31.4 108 112 A Y H >< S+ 0 0 45 -4,-2.4 3,-1.8 1,-0.2 4,-0.4 0.924 108.4 49.0 -62.0 -50.5 15.4 39.1 30.0 109 113 A K H >< S+ 0 0 136 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.848 97.6 70.2 -56.5 -39.3 16.3 40.1 26.4 110 114 A D G >< S+ 0 0 37 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.539 81.1 76.5 -59.0 -8.1 19.5 41.7 27.6 111 115 A Q G < S+ 0 0 81 -3,-1.8 2,-0.6 1,-0.3 -1,-0.3 0.920 100.9 39.4 -68.1 -45.7 20.7 38.1 28.3 112 116 A H G < S- 0 0 129 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.1 -0.419 96.2-175.0 -99.6 55.2 21.3 37.6 24.6 113 117 A F < + 0 0 36 -3,-0.9 2,-0.4 -2,-0.6 -3,-0.1 -0.252 11.4 175.7 -56.1 135.1 22.7 41.2 24.3 114 118 A T - 0 0 100 63,-0.0 3,-0.1 0, 0.0 -2,-0.0 -0.976 40.7 -94.7-137.8 143.1 23.5 42.4 20.9 115 119 A M - 0 0 58 -2,-0.4 2,-0.3 1,-0.1 64,-0.1 -0.193 49.0 -96.8 -56.7 152.0 24.7 45.9 20.2 116 120 A F - 0 0 20 62,-0.4 66,-3.0 64,-0.3 67,-0.3 -0.575 24.6-152.1 -74.9 131.3 21.9 48.3 19.2 117 121 A E S S+ 0 0 96 -2,-0.3 66,-1.6 64,-0.2 2,-0.3 0.905 75.8 5.8 -67.5 -42.6 21.7 48.7 15.4 118 122 A T S >> S- 0 0 57 64,-0.2 4,-1.6 65,-0.1 3,-0.8 -0.848 79.1-100.1-138.2 170.9 20.3 52.3 15.6 119 123 A D H 3> S+ 0 0 7 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.806 116.8 66.9 -61.4 -28.9 19.5 55.0 18.1 120 124 A A H 3> S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.879 103.2 44.2 -60.4 -38.6 15.9 53.9 18.0 121 125 A E H <> S+ 0 0 76 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.863 112.3 52.5 -74.2 -37.9 16.8 50.6 19.7 122 126 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.950 112.2 45.1 -60.1 -50.0 19.0 52.4 22.2 123 127 A F H X S+ 0 0 66 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.872 109.3 56.4 -62.8 -33.5 16.1 54.7 23.1 124 128 A G H X S+ 0 0 42 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.862 108.2 48.9 -62.0 -37.1 13.8 51.7 23.2 125 129 A Y H X S+ 0 0 39 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.913 107.4 53.5 -67.6 -41.3 16.2 50.2 25.8 126 130 A C H X>S+ 0 0 2 -4,-2.2 5,-1.9 1,-0.2 4,-1.6 0.884 110.8 48.0 -63.0 -37.3 16.1 53.5 27.8 127 131 A Y H <>S+ 0 0 53 -4,-2.3 5,-2.4 3,-0.2 6,-0.2 0.970 110.7 52.2 -65.4 -50.3 12.3 53.3 27.9 128 132 A G H <5S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -22,-0.2 0.875 120.5 29.2 -54.7 -42.0 12.5 49.6 29.0 129 133 A V H <5S+ 0 0 10 -4,-2.5 -1,-0.2 -23,-0.1 -2,-0.2 0.652 141.4 7.7 -98.3 -8.6 14.8 50.1 31.9 130 134 A A T X5S+ 0 0 10 -4,-1.6 4,-2.3 -5,-0.3 -3,-0.2 0.618 117.5 61.1-140.3 -39.9 14.0 53.6 33.0 131 135 A G H > S+ 0 0 27 -6,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.913 107.8 54.5 -64.9 -39.9 10.3 53.2 36.3 134 138 A G H X S+ 0 0 8 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.911 108.6 48.9 -58.0 -41.1 9.1 56.8 35.6 135 139 A E H < S+ 0 0 16 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.902 110.8 49.4 -66.3 -40.2 5.6 55.4 34.7 136 140 A V H < S+ 0 0 1 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.919 112.5 48.2 -66.4 -39.8 5.5 53.3 37.9 137 141 A L H >X S+ 0 0 22 -4,-2.5 4,-1.9 1,-0.2 3,-1.2 0.682 87.6 91.2 -70.7 -20.4 6.5 56.4 40.0 138 142 A T H 3X S+ 0 0 0 -4,-1.1 4,-0.6 -3,-0.3 3,-0.2 0.857 84.3 47.9 -46.3 -51.1 3.9 58.6 38.3 139 143 A P H 34 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.736 111.6 51.7 -66.0 -22.6 1.0 58.0 40.8 140 144 A I H <4 S+ 0 0 7 -3,-1.2 -2,-0.2 -4,-0.3 -3,-0.1 0.862 113.8 43.7 -78.0 -36.4 3.3 58.6 43.8 141 145 A L H < S+ 0 0 8 -4,-1.9 89,-2.5 -3,-0.2 2,-0.3 0.413 112.9 50.7 -90.7 1.1 4.6 61.9 42.4 142 146 A S < - 0 0 4 -4,-0.6 3,-0.3 87,-0.3 87,-0.1 -0.975 61.9-144.8-142.1 154.0 1.3 63.5 41.2 143 147 A D S S+ 0 0 98 -2,-0.3 2,-0.3 85,-0.2 -1,-0.1 0.880 97.7 19.9 -83.3 -43.0 -2.1 64.1 42.6 144 148 A H S S- 0 0 161 84,-0.3 -1,-0.2 2,-0.0 5,-0.1 -0.680 83.4-148.4-134.1 80.6 -4.2 63.6 39.5 145 149 A E + 0 0 63 -3,-0.3 2,-0.3 -2,-0.3 84,-0.0 -0.147 22.0 173.1 -49.7 129.3 -2.3 61.5 36.9 146 150 A T > - 0 0 68 82,-0.1 4,-1.7 1,-0.0 3,-0.5 -0.786 52.2 -93.1-129.1 173.9 -3.0 62.3 33.3 147 151 A H H > S+ 0 0 143 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.867 127.5 57.9 -59.0 -31.0 -1.3 61.0 30.1 148 152 A Q H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.891 101.4 53.8 -65.3 -37.7 0.9 64.1 30.3 149 153 A T H > S+ 0 0 2 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.940 112.3 44.3 -62.3 -47.0 2.1 63.2 33.8 150 154 A Y H X S+ 0 0 54 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.896 111.6 53.9 -64.0 -41.7 3.2 59.8 32.6 151 155 A D H X S+ 0 0 47 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.911 111.4 44.1 -60.2 -45.0 4.7 61.3 29.5 152 156 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.913 115.4 47.4 -67.3 -41.3 6.9 63.7 31.5 153 157 A A H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.860 112.9 49.9 -66.2 -39.4 7.9 61.0 34.0 154 158 A R H X S+ 0 0 63 -4,-2.7 4,-2.3 -20,-0.2 -2,-0.2 0.941 111.2 48.6 -67.4 -44.3 8.7 58.6 31.3 155 159 A R H X S+ 0 0 80 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.897 110.8 50.3 -63.0 -40.8 10.8 61.2 29.4 156 160 A L H X S+ 0 0 16 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.941 109.4 51.8 -63.1 -45.8 12.7 62.1 32.6 157 161 A G H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -26,-0.2 0.925 110.8 47.3 -57.4 -43.4 13.5 58.5 33.3 158 162 A E H X S+ 0 0 49 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.870 110.6 51.8 -68.7 -33.8 14.8 57.9 29.8 159 163 A S H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.904 109.6 49.8 -65.9 -40.7 17.0 61.1 30.0 160 164 A L H X S+ 0 0 26 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.878 109.0 52.4 -68.0 -38.4 18.4 59.9 33.3 161 165 A Q H X S+ 0 0 37 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.896 108.2 50.5 -65.6 -38.4 19.2 56.5 31.8 162 166 A L H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.915 110.2 49.9 -66.1 -37.4 21.1 58.2 28.9 163 167 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.921 110.1 52.2 -63.6 -41.9 23.1 60.2 31.4 164 168 A N H X S+ 0 0 33 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.942 109.6 47.2 -57.3 -48.6 23.9 57.0 33.2 165 169 A I H < S+ 0 0 4 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.911 110.4 54.0 -59.8 -41.2 25.1 55.4 29.9 166 170 A L H < S+ 0 0 3 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.806 109.8 47.1 -66.1 -30.5 27.2 58.5 29.3 167 171 A R H < S+ 0 0 40 -4,-1.9 95,-0.3 -3,-0.2 3,-0.3 0.804 115.8 45.5 -77.8 -27.9 28.9 58.2 32.7 168 172 A D X + 0 0 8 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.170 66.0 118.2-109.9 22.4 29.6 54.5 32.3 169 173 A V H > S+ 0 0 16 -3,-0.4 4,-2.6 -4,-0.3 -1,-0.2 0.910 83.1 45.6 -52.0 -48.9 31.0 53.9 28.9 170 174 A G H > S+ 0 0 4 87,-0.3 4,-2.3 -3,-0.3 5,-0.2 0.953 115.8 43.1 -61.1 -53.7 34.3 52.6 30.3 171 175 A E H > S+ 0 0 75 1,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.872 114.0 52.1 -63.4 -38.3 32.9 50.3 32.9 172 176 A D H <>S+ 0 0 30 -4,-2.9 5,-2.3 2,-0.2 3,-0.4 0.927 107.1 52.8 -65.9 -40.8 30.3 49.0 30.5 173 177 A F H ><5S+ 0 0 53 -4,-2.6 3,-2.1 -5,-0.3 -2,-0.2 0.932 105.6 54.2 -61.0 -41.7 33.0 48.3 27.9 174 178 A E H 3<5S+ 0 0 99 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.852 106.8 53.9 -56.8 -31.8 34.9 46.2 30.5 175 179 A N T 3<5S- 0 0 101 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.105 124.1-106.2 -94.5 25.3 31.7 44.3 31.0 176 180 A E T < 5S+ 0 0 169 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.772 82.8 120.2 59.5 33.3 31.5 43.5 27.3 177 181 A R < - 0 0 64 -5,-2.3 2,-0.4 -8,-0.1 -2,-0.2 -0.989 37.3-178.9-130.6 134.9 28.7 46.0 26.7 178 182 A I - 0 0 36 -2,-0.4 -62,-0.4 1,-0.1 -9,-0.0 -0.999 2.4-177.1-129.7 126.7 28.5 49.0 24.4 179 183 A Y + 0 0 25 -2,-0.4 -1,-0.1 -14,-0.1 3,-0.1 0.623 53.8 99.3 -99.6 -19.3 25.2 51.1 24.4 180 184 A F S S- 0 0 3 1,-0.1 -64,-0.3 -15,-0.1 2,-0.1 -0.436 86.3-103.3 -63.9 147.1 26.0 53.7 21.7 181 185 A S > - 0 0 0 1,-0.1 4,-2.7 -66,-0.1 5,-0.2 -0.412 13.9-127.0 -78.0 149.6 24.4 52.5 18.5 182 186 A K H > S+ 0 0 95 -66,-3.0 4,-2.5 1,-0.2 5,-0.2 0.888 111.2 56.3 -59.2 -39.9 26.3 50.9 15.7 183 187 A Q H > S+ 0 0 74 -66,-1.6 4,-2.7 -67,-0.3 -1,-0.2 0.954 111.9 40.4 -55.2 -50.5 24.9 53.5 13.3 184 188 A R H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.875 113.4 53.5 -68.9 -37.6 26.1 56.4 15.3 185 189 A L H <>S+ 0 0 15 -4,-2.7 5,-2.5 2,-0.2 4,-0.5 0.911 113.7 44.7 -62.2 -43.2 29.5 54.7 16.1 186 190 A K H ><5S+ 0 0 176 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.930 112.4 50.3 -68.0 -46.2 30.0 54.2 12.3 187 191 A Q H 3<5S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.920 118.6 38.3 -58.8 -44.6 28.8 57.7 11.4 188 192 A Y T 3<5S- 0 0 49 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.431 108.2-125.8 -86.9 -0.2 31.2 59.3 13.9 189 193 A E T < 5 + 0 0 139 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.934 55.6 151.5 54.8 54.5 34.0 56.8 13.2 190 194 A V < - 0 0 14 -5,-2.5 2,-0.6 13,-0.1 -1,-0.2 -0.937 31.7-169.4-118.7 133.2 34.4 55.7 16.8 191 195 A D > - 0 0 95 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.967 11.7-156.0-121.8 111.2 35.6 52.3 18.0 192 196 A I H > S+ 0 0 6 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.873 92.8 52.2 -55.4 -42.2 35.1 52.0 21.8 193 197 A A H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 110.2 50.0 -61.1 -40.7 37.8 49.4 22.3 194 198 A E H > S+ 0 0 78 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.931 114.0 44.7 -64.5 -43.2 40.3 51.6 20.5 195 199 A V H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.875 109.0 55.1 -68.0 -38.6 39.3 54.6 22.7 196 200 A Y H < S+ 0 0 48 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.910 116.5 41.2 -60.4 -37.0 39.3 52.5 25.9 197 201 A Q H < S+ 0 0 144 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.959 128.4 24.3 -73.8 -53.3 42.9 51.7 24.9 198 202 A N H < S- 0 0 118 -4,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.507 106.0-104.7 -98.8 -6.5 44.2 55.0 23.6 199 203 A G < - 0 0 36 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.391 53.3 -43.9 106.8 171.4 42.3 57.8 25.2 200 204 A V - 0 0 53 55,-0.3 2,-0.3 -2,-0.1 57,-0.0 -0.377 53.3-174.6 -75.8 154.2 39.5 60.1 23.9 201 205 A N > - 0 0 54 -2,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.773 43.1 -91.6-135.1-179.8 39.8 61.7 20.5 202 206 A N H > S+ 0 0 126 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.842 122.8 56.1 -70.3 -31.7 37.6 64.3 18.8 203 207 A H H > S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.964 111.1 44.4 -62.3 -51.6 35.5 61.7 17.1 204 208 A Y H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.932 113.3 49.8 -59.4 -48.7 34.6 60.1 20.4 205 209 A I H X S+ 0 0 37 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.933 110.0 50.9 -57.8 -43.6 34.0 63.4 22.1 206 210 A D H X S+ 0 0 88 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.903 112.3 47.5 -62.0 -37.9 31.7 64.6 19.3 207 211 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.920 112.4 47.8 -67.8 -43.7 29.7 61.4 19.6 208 212 A W H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.935 113.4 49.1 -62.7 -44.0 29.4 61.6 23.4 209 213 A E H X S+ 0 0 47 -4,-3.1 4,-2.1 -5,-0.3 -1,-0.2 0.822 102.9 61.2 -68.5 -26.7 28.4 65.2 23.0 210 214 A Y H X S+ 0 0 74 -4,-1.7 4,-1.2 -5,-0.2 -1,-0.2 0.958 111.8 39.0 -61.8 -48.8 25.8 64.2 20.4 211 215 A Y H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.882 111.8 57.0 -69.4 -37.1 24.1 62.0 23.0 212 216 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.902 103.6 53.9 -60.5 -36.3 24.6 64.5 25.9 213 217 A A H X S+ 0 0 50 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.887 107.6 51.1 -67.2 -34.5 22.7 67.2 23.9 214 218 A I H X S+ 0 0 39 -4,-1.2 4,-2.4 2,-0.2 5,-0.2 0.951 111.8 46.1 -64.9 -48.4 19.8 64.8 23.5 215 219 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.890 113.3 49.8 -62.5 -38.2 19.7 64.1 27.2 216 220 A E H X S+ 0 0 49 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.881 109.5 50.9 -67.8 -38.1 20.0 67.8 28.1 217 221 A K H X S+ 0 0 107 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.922 111.5 47.5 -65.4 -46.1 17.2 68.8 25.7 218 222 A D H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.905 109.5 54.7 -61.2 -40.5 14.9 66.2 27.2 219 223 A F H X S+ 0 0 28 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.914 108.6 48.0 -59.1 -43.5 15.9 67.4 30.7 220 224 A R H X S+ 0 0 129 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.906 109.5 52.0 -66.6 -39.8 14.9 71.0 29.7 221 225 A D H X S+ 0 0 48 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.879 110.8 49.0 -64.0 -36.6 11.5 69.8 28.3 222 226 A V H >< S+ 0 0 0 -4,-2.2 3,-1.1 2,-0.2 -2,-0.2 0.940 108.6 51.3 -66.6 -48.0 10.8 68.0 31.5 223 227 A M H >< S+ 0 0 30 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.892 105.9 58.4 -56.4 -33.4 11.7 71.0 33.7 224 228 A D H 3< S+ 0 0 132 -4,-2.0 -1,-0.3 1,-0.3 3,-0.2 0.768 112.9 38.2 -65.1 -28.3 9.3 73.0 31.5 225 229 A Q T X< S+ 0 0 59 -3,-1.1 3,-1.9 -4,-0.8 -1,-0.3 0.065 76.9 122.2-110.9 24.9 6.5 70.7 32.4 226 230 A I G X + 0 0 11 -3,-1.4 3,-1.9 1,-0.3 -1,-0.1 0.760 59.6 76.9 -62.1 -22.6 7.4 70.1 36.1 227 231 A K G 3 S+ 0 0 177 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.605 72.9 77.9 -68.7 -6.0 4.0 71.4 37.2 228 232 A V G < S+ 0 0 29 -3,-1.9 -84,-0.3 -80,-0.1 -1,-0.3 0.763 88.1 76.7 -68.7 -20.8 2.3 68.1 36.2 229 233 A F S < S- 0 0 7 -3,-1.9 -87,-0.3 -4,-0.2 5,-0.1 -0.469 100.9 -82.7 -88.5 162.6 3.7 66.8 39.5 230 234 A S > - 0 0 3 -89,-2.5 4,-2.3 -2,-0.1 -1,-0.1 -0.173 40.2-113.0 -58.8 152.2 2.4 67.5 43.0 231 235 A I T 4 S+ 0 0 125 1,-0.2 -1,-0.1 2,-0.2 -2,-0.1 0.884 118.2 49.3 -57.7 -37.1 3.5 70.7 44.6 232 236 A E T > S+ 0 0 69 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 0.876 113.6 46.0 -68.5 -38.8 5.6 68.8 47.2 233 237 A A H > S+ 0 0 0 -92,-0.2 4,-2.7 1,-0.2 5,-0.3 0.795 93.0 80.4 -76.7 -30.6 7.3 66.6 44.6 234 238 A Q H X S+ 0 0 25 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.896 96.5 39.4 -44.5 -58.2 8.2 69.4 42.1 235 239 A P H > S+ 0 0 22 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.849 116.6 53.8 -63.9 -30.1 11.3 70.7 43.8 236 240 A I H X S+ 0 0 15 -4,-0.5 4,-2.8 -3,-0.3 -2,-0.2 0.892 110.3 44.8 -68.7 -42.8 12.4 67.2 44.7 237 241 A I H X S+ 0 0 3 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.906 113.2 51.7 -69.2 -40.4 12.1 65.9 41.1 238 242 A E H X S+ 0 0 14 -4,-2.6 4,-2.7 -5,-0.3 -2,-0.2 0.935 111.3 48.1 -61.7 -40.6 13.9 69.0 40.0 239 243 A L H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.953 111.4 48.7 -64.8 -48.4 16.6 68.3 42.5 240 244 A A H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.933 115.1 45.3 -55.9 -47.8 16.9 64.6 41.5 241 245 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.904 114.4 47.9 -63.3 -43.9 17.2 65.6 37.8 242 246 A R H X S+ 0 0 69 -4,-2.7 4,-1.3 -5,-0.3 -2,-0.2 0.886 111.3 49.7 -66.6 -41.0 19.6 68.4 38.4 243 247 A I H < S+ 0 0 0 -4,-2.7 4,-0.4 -5,-0.2 -1,-0.2 0.892 114.6 45.9 -63.6 -41.3 21.9 66.3 40.5 244 248 A Y H >< S+ 0 0 17 -4,-2.0 3,-1.7 -5,-0.3 4,-0.3 0.933 110.3 50.7 -72.1 -41.1 21.9 63.6 38.0 245 249 A I H >X S+ 0 0 15 -4,-2.9 3,-1.6 1,-0.3 4,-0.7 0.759 94.5 72.6 -71.2 -15.6 22.5 65.8 35.0 246 250 A E H 3X S+ 0 0 24 -4,-1.3 4,-2.3 1,-0.3 -1,-0.3 0.760 81.7 75.6 -65.2 -24.0 25.5 67.4 36.8 247 251 A I H <> S+ 0 0 4 -3,-1.7 4,-2.2 -4,-0.4 -1,-0.3 0.853 86.4 61.1 -53.9 -34.5 27.2 64.1 36.0 248 252 A L H <> S+ 0 0 1 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.947 105.9 44.3 -62.0 -45.0 27.5 65.3 32.4 249 253 A D H X S+ 0 0 71 -4,-0.7 4,-3.1 1,-0.2 -1,-0.2 0.904 111.0 54.8 -66.8 -36.2 29.7 68.2 33.5 250 254 A E H X S+ 0 0 30 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.864 107.0 50.9 -62.7 -32.6 31.6 65.9 35.8 251 255 A V H ><>S+ 0 0 6 -4,-2.2 5,-2.6 -5,-0.2 3,-0.5 0.945 111.3 48.3 -69.8 -42.2 32.3 63.7 32.8 252 256 A R H ><5S+ 0 0 54 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.919 108.5 53.1 -61.1 -46.7 33.5 66.7 30.9 253 257 A Q H 3<5S+ 0 0 129 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.725 107.6 52.1 -61.6 -23.8 35.8 67.9 33.7 254 258 A A T X<5S- 0 0 33 -4,-1.1 3,-1.1 -3,-0.5 -1,-0.3 0.130 120.9-109.4 -96.7 16.4 37.4 64.4 33.9 255 259 A N T < 5 - 0 0 123 -3,-1.8 -55,-0.3 1,-0.3 -3,-0.2 0.835 63.6 -66.4 58.1 39.4 38.1 64.6 30.2 256 260 A Y T 3 > - 0 0 110 -2,-0.7 4,-1.8 1,-0.1 3,-1.0 -0.230 18.0-111.8 -63.0 154.7 30.1 65.0 45.5 266 270 A K H 3> S+ 0 0 147 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.858 116.6 58.1 -52.6 -37.7 27.6 65.4 48.3 267 271 A R H 3> S+ 0 0 161 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.866 106.5 49.2 -65.3 -29.3 28.5 69.0 49.0 268 272 A K H <> S+ 0 0 44 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.855 107.1 54.5 -78.0 -34.4 27.6 69.8 45.4 269 273 A K H X S+ 0 0 17 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.923 108.3 50.3 -62.1 -42.2 24.2 68.0 45.7 270 274 A A H X S+ 0 0 35 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.885 106.7 54.6 -63.6 -36.2 23.6 70.2 48.8 271 275 A K H X S+ 0 0 115 -4,-1.5 4,-2.5 1,-0.2 -1,-0.2 0.932 109.1 47.8 -62.3 -45.1 24.5 73.3 46.7 272 276 A L H X S+ 0 0 6 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.893 108.9 54.1 -62.6 -37.9 21.9 72.3 44.1 273 277 A F H X S+ 0 0 60 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.916 108.7 49.9 -62.2 -41.7 19.3 71.7 46.8 274 278 A H H X S+ 0 0 131 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.956 110.9 48.2 -62.2 -48.3 20.0 75.3 48.1 275 279 A E H X S+ 0 0 105 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.906 118.5 39.1 -59.5 -44.8 19.5 76.8 44.6 276 280 A I H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.928 112.4 55.4 -71.5 -44.6 16.3 74.9 43.9 277 281 A N H < S+ 0 0 93 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.796 110.8 48.0 -60.0 -26.8 14.9 75.3 47.5 278 282 A S H < S+ 0 0 72 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.936 106.4 53.7 -77.5 -50.3 15.4 79.0 47.0 279 283 A K H < 0 0 146 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.885 360.0 360.0 -50.3 -40.1 13.7 79.2 43.7 280 284 A Y < 0 0 102 -4,-2.4 0, 0.0 -5,-0.1 0, 0.0 -0.238 360.0 360.0 -88.0 360.0 10.8 77.5 45.4