==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 05-JAN-07 2OGD . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA BRUCEI; . AUTHOR R.CAO,Y.GAO,H.ROBINSON,A.GODDARD,E.OLDFIELD . 717 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 551 76.8 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 . 6 0.8 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 . 2 0.3 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 . 12 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 443 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 4 0 0 0 1 2 3 2 1 4 1 2 0 0 0 0 0 0 1 5 1 2 1 0 0 0 2 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 2 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 . 2 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 0 153 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -50.9 52.5 -12.3 -3.1 2 2 A P H > + 0 0 59 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.926 360.0 50.4 -50.8 -47.4 50.6 -13.2 0.1 3 3 A M H > S+ 0 0 85 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 109.2 51.1 -59.4 -40.9 47.6 -14.6 -1.8 4 4 A Q H > S+ 0 0 138 -3,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 113.9 41.6 -67.4 -41.2 49.8 -16.8 -4.0 5 5 A M H X S+ 0 0 31 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.907 112.6 56.4 -72.8 -36.7 51.7 -18.4 -1.1 6 6 A F H X S+ 0 0 0 -4,-2.6 4,-1.0 -5,-0.3 -2,-0.2 0.902 110.5 44.0 -59.1 -41.4 48.5 -18.7 0.9 7 7 A M H X S+ 0 0 55 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.809 107.6 59.3 -74.1 -29.6 46.9 -20.7 -1.9 8 8 A Q H X S+ 0 0 115 -4,-1.5 4,-1.8 1,-0.2 3,-0.2 0.929 106.8 47.3 -63.0 -43.2 50.0 -22.8 -2.4 9 9 A V H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.784 104.6 61.5 -68.5 -26.8 49.7 -24.0 1.2 10 10 A Y H X S+ 0 0 2 -4,-1.0 4,-2.9 2,-0.2 -1,-0.2 0.898 106.1 45.4 -65.8 -39.7 46.0 -24.7 0.7 11 11 A D H X S+ 0 0 92 -4,-1.6 4,-2.7 -3,-0.2 -2,-0.2 0.903 112.9 51.1 -68.0 -41.6 46.9 -27.2 -2.0 12 12 A E H X S+ 0 0 83 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.917 113.6 44.6 -61.3 -43.6 49.5 -28.7 0.3 13 13 A I H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.944 113.5 49.9 -66.4 -47.3 47.0 -28.9 3.1 14 14 A Q H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 5,-0.3 0.877 110.0 51.5 -59.6 -39.2 44.3 -30.4 0.8 15 15 A M H X S+ 0 0 112 -4,-2.7 4,-2.4 2,-0.2 5,-0.3 0.949 109.7 48.6 -63.6 -50.1 46.7 -33.0 -0.6 16 16 A F H X S+ 0 0 38 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.924 115.4 44.1 -56.4 -48.5 47.8 -34.2 2.9 17 17 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.941 116.3 43.5 -64.5 -51.3 44.2 -34.5 4.1 18 18 A L H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.915 114.8 48.8 -64.2 -43.7 42.6 -36.2 1.1 19 19 A E H X S+ 0 0 94 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.853 109.0 55.3 -64.6 -33.5 45.5 -38.6 0.6 20 20 A E H X>S+ 0 0 17 -4,-1.6 4,-3.7 -5,-0.3 5,-0.8 0.934 107.3 47.9 -65.3 -44.9 45.4 -39.5 4.3 21 21 A L H X5S+ 0 0 0 -4,-2.0 6,-2.1 1,-0.2 4,-1.0 0.892 113.9 49.1 -61.2 -38.7 41.7 -40.5 4.1 22 22 A E H <5S+ 0 0 97 -4,-1.9 -2,-0.2 4,-0.2 -1,-0.2 0.887 122.4 32.1 -66.6 -41.1 42.5 -42.5 1.0 23 23 A L H <5S+ 0 0 129 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.809 133.6 22.0 -90.0 -34.0 45.4 -44.3 2.7 24 24 A K H <5S+ 0 0 142 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.543 124.1 46.8-113.3 -10.6 44.5 -44.6 6.4 25 25 A F S < - 0 0 26 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.348 23.3-109.5 -80.5 161.2 36.8 -44.5 -1.8 29 29 A P H > S+ 0 0 108 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.818 115.5 57.4 -60.3 -33.7 37.4 -42.2 -4.8 30 30 A N H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.912 111.9 39.4 -66.9 -40.9 33.8 -41.0 -4.9 31 31 A R H > S+ 0 0 8 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.789 112.3 55.9 -79.4 -27.4 33.8 -39.8 -1.3 32 32 A V H X S+ 0 0 15 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.926 110.9 47.1 -66.8 -40.8 37.3 -38.3 -1.6 33 33 A R H X S+ 0 0 82 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.896 110.6 50.7 -64.5 -44.6 36.0 -36.4 -4.6 34 34 A Y H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.942 111.8 48.3 -60.0 -46.1 32.9 -35.3 -2.7 35 35 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.850 107.1 55.7 -65.1 -34.1 35.1 -34.1 0.2 36 36 A R H X S+ 0 0 103 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.929 111.3 43.6 -64.2 -43.2 37.4 -32.2 -2.1 37 37 A K H X S+ 0 0 64 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.893 112.0 54.0 -66.7 -39.8 34.5 -30.2 -3.5 38 38 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.946 110.7 47.1 -58.3 -47.6 33.1 -29.8 0.0 39 39 A M H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.4 0.938 115.3 43.6 -60.2 -51.4 36.5 -28.3 1.1 40 40 A D H X S+ 0 0 52 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.911 116.4 47.5 -62.1 -43.8 36.8 -26.0 -1.9 41 41 A T H < S+ 0 0 33 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 121.8 33.5 -67.5 -39.1 33.1 -24.8 -1.7 42 42 A T H < S+ 0 0 10 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.732 126.4 38.6 -90.6 -23.8 33.1 -24.2 2.0 43 43 A C H < S+ 0 0 0 -4,-2.5 2,-0.2 -5,-0.3 3,-0.2 0.710 109.6 57.2-100.5 -22.1 36.7 -23.0 2.5 44 44 A L S < S+ 0 0 33 -4,-1.8 3,-0.1 -5,-0.4 0, 0.0 -0.699 79.3 52.2-110.2 161.9 37.4 -20.9 -0.7 45 45 A G S S+ 0 0 51 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.1 0.243 79.6 105.2 104.1 -14.9 35.7 -17.8 -2.2 46 46 A G S S- 0 0 23 -3,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.003 88.2 -92.7 -84.0-163.1 35.6 -15.5 0.8 47 47 A K - 0 0 86 -3,-0.1 5,-0.1 1,-0.0 -1,-0.1 0.651 42.3-143.0 -86.2 -15.9 37.8 -12.4 1.4 48 48 A Y > + 0 0 25 1,-0.1 4,-2.9 3,-0.1 5,-0.3 0.732 50.3 145.4 58.6 25.5 40.4 -14.5 3.4 49 49 A N H > + 0 0 21 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.861 69.0 48.1 -60.2 -37.2 40.8 -11.5 5.7 50 50 A R H > S+ 0 0 17 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.953 116.6 41.4 -68.7 -49.4 41.3 -13.8 8.8 51 51 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.5 0.942 114.8 49.4 -64.2 -48.6 43.9 -16.0 7.1 52 52 A L H X S+ 0 0 23 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.763 103.7 62.7 -64.5 -25.0 45.8 -13.2 5.3 53 53 A T H X S+ 0 0 8 -4,-1.1 4,-2.5 -5,-0.3 5,-0.2 0.906 98.2 54.7 -67.2 -41.0 46.0 -11.3 8.6 54 54 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 -3,-0.5 -1,-0.2 0.937 109.8 47.9 -57.4 -46.1 48.1 -14.1 10.2 55 55 A I H X S+ 0 0 2 -4,-1.2 4,-2.6 1,-0.2 5,-0.2 0.949 112.2 48.1 -59.2 -51.9 50.6 -13.9 7.4 56 56 A D H X S+ 0 0 47 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.850 112.8 48.1 -60.6 -36.2 50.8 -10.1 7.5 57 57 A V H X S+ 0 0 0 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.949 110.9 51.0 -69.1 -47.2 51.3 -10.0 11.3 58 58 A A H >X S+ 0 0 0 -4,-2.5 3,-1.0 -5,-0.2 4,-0.9 0.943 112.2 46.9 -53.2 -52.4 54.0 -12.7 11.2 59 59 A E H >< S+ 0 0 81 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.870 108.5 55.2 -58.8 -38.8 55.9 -10.8 8.5 60 60 A S H 3< S+ 0 0 33 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.713 113.9 41.6 -69.3 -19.2 55.6 -7.6 10.5 61 61 A L H X< S+ 0 0 6 -4,-1.2 3,-1.7 -3,-1.0 -1,-0.2 0.461 79.7 101.0-107.5 -3.0 57.2 -9.2 13.5 62 62 A L T << S+ 0 0 55 -4,-0.9 -1,-0.1 -3,-0.6 -2,-0.1 0.239 84.0 52.4 -71.1 20.8 60.0 -11.3 12.0 63 63 A S T 3 0 0 104 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.446 360.0 360.0-130.2 -6.5 62.5 -8.6 13.0 64 64 A L < 0 0 131 -3,-1.7 -1,-0.3 157,-0.1 278,-0.1 -0.716 360.0 360.0-171.8 360.0 61.8 -8.1 16.7 65 ! 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 66 74 A D 0 0 197 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -95.1 68.8 -16.9 8.5 67 75 A G > + 0 0 41 2,-0.1 4,-0.8 3,-0.0 0, 0.0 0.203 360.0 68.3-131.2 -2.3 66.5 -16.5 5.5 68 76 A A H > S+ 0 0 58 2,-0.2 4,-2.9 1,-0.1 5,-0.2 0.775 90.0 59.3 -87.5 -34.8 65.1 -19.9 6.3 69 77 A R H > S+ 0 0 78 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.861 103.9 52.9 -63.5 -34.4 63.5 -18.8 9.5 70 78 A R H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.911 110.4 48.2 -65.3 -40.7 61.5 -16.3 7.4 71 79 A K H X S+ 0 0 130 -4,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.925 114.4 43.2 -65.2 -48.4 60.4 -19.2 5.2 72 80 A R H X S+ 0 0 81 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.883 115.2 50.3 -66.6 -39.8 59.4 -21.4 8.0 73 81 A V H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.915 112.9 45.0 -65.2 -44.4 57.6 -18.6 9.9 74 82 A L H X S+ 0 0 6 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.874 114.3 49.7 -68.9 -34.4 55.7 -17.5 6.8 75 83 A H H X S+ 0 0 53 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.922 110.9 48.8 -69.4 -43.1 54.8 -21.1 6.0 76 84 A D H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.928 109.6 54.0 -59.4 -43.8 53.6 -21.7 9.6 77 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.900 106.4 51.6 -57.1 -43.4 51.6 -18.5 9.4 78 86 A C H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.945 109.0 49.5 -59.4 -49.7 49.9 -19.8 6.2 79 87 A V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.911 112.1 48.4 -56.3 -43.7 48.9 -23.0 7.9 80 88 A C H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.890 107.2 58.0 -63.7 -37.0 47.5 -21.0 10.9 81 89 A G H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.932 108.9 43.3 -57.4 -47.9 45.7 -18.9 8.3 82 90 A W H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.758 106.0 62.3 -70.9 -25.6 43.9 -21.9 6.9 83 91 A M H X S+ 0 0 0 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.945 110.6 40.6 -63.4 -43.9 43.2 -23.2 10.4 84 92 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.896 115.7 49.7 -69.9 -41.4 41.1 -20.1 11.0 85 93 A E H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.902 113.5 46.6 -64.4 -39.5 39.6 -20.1 7.6 86 94 A F H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.828 109.3 55.3 -69.7 -33.3 38.6 -23.8 8.1 87 95 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.920 111.7 43.8 -65.1 -43.4 37.3 -23.0 11.5 88 96 A Q H X S+ 0 0 16 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.912 108.7 56.5 -67.6 -42.6 35.0 -20.3 9.9 89 97 A A H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 107.6 51.4 -52.6 -45.4 34.1 -22.7 7.1 90 98 A H H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.963 112.9 43.2 -55.3 -57.3 32.9 -25.1 9.8 91 99 A Y H X S+ 0 0 6 -4,-2.1 4,-3.1 1,-0.2 -2,-0.2 0.847 111.7 54.1 -61.4 -35.4 30.8 -22.4 11.6 92 100 A L H X S+ 0 0 18 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.892 106.2 52.4 -67.8 -38.0 29.4 -21.1 8.3 93 101 A V H X S+ 0 0 6 -4,-2.2 4,-1.3 -5,-0.3 18,-0.2 0.958 118.4 36.3 -60.6 -49.5 28.2 -24.5 7.3 94 102 A E H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.881 115.9 55.6 -70.7 -38.3 26.3 -25.0 10.6 95 103 A D H X S+ 0 0 27 -4,-3.1 4,-2.7 -5,-0.2 6,-0.2 0.905 104.6 52.0 -61.3 -45.5 25.3 -21.3 10.8 96 104 A D H <>S+ 0 0 5 -4,-2.7 5,-1.9 2,-0.2 4,-0.5 0.897 111.3 47.2 -60.4 -40.9 23.6 -21.3 7.4 97 105 A I H ><5S+ 0 0 24 -4,-1.3 3,-1.1 -5,-0.2 -2,-0.2 0.961 114.6 47.4 -63.1 -49.7 21.6 -24.4 8.4 98 106 A M H 3<5S+ 0 0 13 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.818 117.2 41.6 -59.9 -36.0 20.7 -22.7 11.7 99 107 A D T 3<5S- 0 0 12 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.345 106.1-125.3 -95.5 4.2 19.8 -19.4 10.1 100 108 A N T < 5 + 0 0 96 -3,-1.1 -3,-0.2 -4,-0.5 -4,-0.1 0.833 48.2 173.1 54.5 37.4 17.9 -21.0 7.2 101 109 A S < - 0 0 11 -5,-1.9 -1,-0.1 -6,-0.2 3,-0.1 -0.320 28.3-158.7 -74.3 158.9 20.0 -19.1 4.7 102 110 A V + 0 0 69 160,-0.3 7,-2.1 1,-0.2 2,-0.3 0.783 67.9 26.6-106.5 -43.3 19.9 -19.8 0.9 103 111 A T E -A 108 0A 36 5,-0.3 2,-0.3 159,-0.2 159,-0.3 -0.875 52.0-175.9-126.5 162.2 23.1 -18.4 -0.5 104 112 A R E > S-A 107 0A 41 3,-3.2 3,-0.9 -2,-0.3 157,-0.2 -0.952 74.8 -4.7-154.7 128.5 26.7 -17.8 0.6 105 113 A R T 3 S- 0 0 58 -2,-0.3 156,-0.2 1,-0.3 155,-0.1 0.842 132.2 -52.0 54.4 35.7 29.6 -16.3 -1.4 106 114 A G T 3 S+ 0 0 56 154,-3.1 -1,-0.3 1,-0.3 155,-0.1 0.767 125.5 78.1 74.5 27.0 27.4 -16.0 -4.4 107 115 A K E < S-A 104 0A 94 -3,-0.9 -3,-3.2 153,-0.5 -1,-0.3 -0.931 92.6 -67.7-152.9 171.6 26.4 -19.7 -4.4 108 116 A P E -A 103 0A 60 0, 0.0 -5,-0.3 0, 0.0 5,-0.1 -0.375 59.1-102.8 -65.3 146.6 23.9 -22.0 -2.6 109 117 A C > - 0 0 1 -7,-2.1 3,-1.7 1,-0.1 4,-0.3 -0.314 39.9-104.5 -61.7 158.0 24.8 -22.6 1.0 110 118 A W G > S+ 0 0 8 1,-0.3 3,-2.3 2,-0.2 6,-0.1 0.930 123.4 49.9 -52.4 -52.3 26.3 -26.0 1.4 111 119 A Y G 3 S+ 0 0 25 1,-0.3 -1,-0.3 -18,-0.2 10,-0.1 0.595 107.9 59.2 -64.9 -6.9 23.2 -27.6 2.9 112 120 A R G < S+ 0 0 99 -3,-1.7 -1,-0.3 -10,-0.1 -2,-0.2 0.405 76.2 115.2 -99.8 -2.3 21.4 -26.1 -0.1 113 121 A H S X S- 0 0 11 -3,-2.3 3,-2.0 -4,-0.3 428,-0.2 -0.478 78.2-115.4 -69.2 140.8 23.4 -27.9 -2.7 114 122 A P T 3 S+ 0 0 67 0, 0.0 430,-0.3 0, 0.0 427,-0.2 0.859 111.5 31.8 -41.8 -52.5 21.3 -30.3 -4.8 115 123 A D T 3 S+ 0 0 17 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1,-0.2 -1,-0.2 0.938 109.0 48.0 -68.2 -47.1 3.6 3.6 17.3 286 294 A Q H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.826 112.0 50.7 -60.8 -36.2 6.9 2.7 15.5 287 295 A V H X S+ 0 0 27 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.897 107.6 52.5 -70.8 -41.0 7.4 -0.2 18.0 288 296 A A H X S+ 0 0 57 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.957 111.2 46.1 -59.5 -51.4 3.9 -1.6 17.4 289 297 A E H < S+ 0 0 74 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.879 111.7 52.8 -58.9 -39.6 4.3 -1.6 13.6 290 298 A F H >X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 3,-1.6 0.942 107.6 52.0 -59.6 -49.1 7.8 -3.3 14.1 291 299 A K H 3< S+ 0 0 95 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 108.0 51.1 -59.1 -31.0 6.2 -5.9 16.3 292 300 A A T 3< S+ 0 0 61 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.445 121.4 32.0 -88.9 1.2 3.6 -6.8 13.7 293 301 A N T X4 S+ 0 0 20 -3,-1.6 3,-0.6 -4,-0.4 -2,-0.2 0.594 91.5 99.1-128.7 -22.7 6.1 -7.2 10.9 294 302 A Y T 3< S+ 0 0 18 -4,-2.6 -27,-0.1 1,-0.2 3,-0.1 -0.433 81.8 26.0 -75.2 142.8 9.4 -8.5 12.4 295 303 A G T 3 S+ 0 0 36 -29,-1.4 2,-0.4 1,-0.3 -1,-0.2 0.803 92.4 124.0 79.3 30.1 10.2 -12.2 12.2 296 304 A S < - 0 0 30 -3,-0.6 -1,-0.3 -30,-0.1 -28,-0.1 -0.973 57.5-150.6-128.0 139.5 8.2 -12.9 9.1 297 305 A G + 0 0 58 -2,-0.4 2,-0.2 -30,-0.1 -30,-0.1 0.696 64.6 117.5 -76.0 -19.6 9.1 -14.4 5.7 298 306 A D > - 0 0 65 1,-0.1 4,-2.7 -31,-0.1 5,-0.2 -0.313 66.0-139.3 -53.6 115.7 6.4 -12.3 4.0 299 307 A S H > S+ 0 0 97 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.796 98.5 46.6 -47.4 -43.6 8.1 -10.0 1.6 300 308 A E H > S+ 0 0 136 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.907 111.1 50.3 -71.1 -43.0 5.9 -6.9 2.4 301 309 A K H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.926 113.5 48.3 -58.5 -42.3 6.2 -7.3 6.1 302 310 A V H X S+ 0 0 6 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.905 109.6 52.4 -62.0 -42.6 9.9 -7.6 5.6 303 311 A A H X S+ 0 0 48 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.803 106.3 54.1 -64.0 -31.1 9.7 -4.5 3.4 304 312 A T H X S+ 0 0 28 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.925 106.1 50.4 -70.8 -43.6 7.9 -2.6 6.1 305 313 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.936 109.3 52.8 -57.5 -46.5 10.6 -3.3 8.7 306 314 A R H X S+ 0 0 85 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.867 111.5 45.6 -58.0 -38.7 13.2 -2.1 6.3 307 315 A R H X S+ 0 0 86 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.899 106.9 57.2 -73.5 -40.2 11.3 1.2 5.8 308 316 A L H X S+ 0 0 4 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.874 108.0 52.0 -56.3 -34.8 10.8 1.6 9.6 309 317 A Y H ><>S+ 0 0 0 -4,-2.0 5,-1.2 1,-0.2 3,-0.7 0.920 109.9 43.7 -68.4 -48.8 14.6 1.5 9.8 310 318 A E H 3<5S+ 0 0 126 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.600 111.2 55.5 -77.1 -8.6 15.4 4.1 7.2 311 319 A E H 3<5S+ 0 0 126 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.579 102.8 54.8 -95.1 -13.0 12.7 6.5 8.5 312 320 A A T <<5S- 0 0 10 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.184 117.6-118.2 -99.1 13.4 14.2 6.3 12.0 313 321 A D T >5 + 0 0 86 -3,-0.3 4,-1.0 1,-0.1 -3,-0.2 0.948 51.3 166.2 46.1 66.8 17.4 7.4 10.4 314 322 A L H > S+ 0 0 149 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.858 99.8 52.1 -76.0 -34.1 22.1 5.5 8.8 316 324 A G H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.895 111.0 48.4 -66.6 -37.4 22.7 8.7 10.7 317 325 A D H X S+ 0 0 45 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.899 110.2 52.4 -67.7 -38.8 23.2 6.5 13.8 318 326 A Y H X S+ 0 0 36 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.939 108.2 49.1 -62.1 -48.0 25.5 4.2 11.8 319 327 A V H X S+ 0 0 81 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.880 112.6 48.5 -60.8 -37.4 27.7 7.1 10.6 320 328 A A H X S+ 0 0 64 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.894 113.2 47.6 -69.4 -39.4 28.0 8.4 14.2 321 329 A Y H X S+ 0 0 38 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.969 110.2 51.0 -63.1 -54.6 28.9 4.9 15.5 322 330 A E H X S+ 0 0 18 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.845 111.1 49.6 -51.7 -38.8 31.5 4.3 12.9 323 331 A A H X S+ 0 0 56 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.2 0.902 110.0 50.2 -69.8 -42.0 33.1 7.6 13.7 324 332 A A H X S+ 0 0 44 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.935 113.9 44.9 -61.5 -47.4 33.1 6.9 17.4 325 333 A V H X S+ 0 0 1 -4,-2.8 4,-3.3 2,-0.2 5,-0.2 0.929 109.6 54.9 -61.3 -49.3 34.8 3.5 16.8 326 334 A A H X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.890 109.0 49.8 -52.7 -41.6 37.3 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5.6 637 284 B V H X S+ 0 0 3 -4,-2.2 4,-1.7 1,-0.2 -82,-0.3 0.889 117.2 47.3 -64.2 -40.1 23.4 -56.4 4.2 638 285 B T H X S+ 0 0 24 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.889 114.0 48.3 -67.6 -41.2 23.1 -59.9 5.7 639 286 B F H >X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 3,-0.9 0.958 111.7 48.6 -62.9 -53.2 19.6 -60.3 4.4 640 287 B L H 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.822 105.3 58.5 -59.5 -33.2 20.4 -59.2 0.9 641 288 B A H 3< S+ 0 0 91 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.796 120.7 26.2 -69.3 -26.4 23.4 -61.4 0.6 642 289 B K H << S+ 0 0 93 -4,-0.9 -2,-0.2 -3,-0.9 -1,-0.2 0.657 94.7 114.1-108.9 -21.4 21.3 -64.6 1.2 643 290 B A < - 0 0 17 -4,-2.6 -4,-0.0 -5,-0.2 -3,-0.0 -0.119 64.1-120.9 -56.8 146.0 17.9 -63.6 -0.0 644 291 B S > - 0 0 59 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.150 35.8 -98.1 -73.5 177.0 16.2 -65.1 -3.0 645 292 B S H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.858 126.3 52.4 -67.7 -34.1 15.2 -63.0 -6.0 646 293 B A H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 109.6 47.7 -66.6 -45.8 11.7 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25.3 13.2 -46.9 3.4 657 304 B S < - 0 0 35 -3,-0.6 -1,-0.3 2,-0.2 -27,-0.1 -0.922 63.2-140.0-123.6 151.6 9.6 -45.8 4.0 658 305 B G + 0 0 60 -2,-0.3 2,-0.3 -30,-0.1 -30,-0.1 0.507 65.4 122.9 -85.0 -5.3 7.9 -44.4 7.0 659 306 B D >> - 0 0 71 1,-0.2 4,-2.0 -5,-0.1 3,-0.6 -0.424 62.6-141.1 -60.9 118.4 4.8 -46.6 6.3 660 307 B S H 3> S+ 0 0 100 -2,-0.3 4,-0.7 1,-0.3 -1,-0.2 0.706 100.3 46.4 -56.0 -24.7 4.2 -48.7 9.4 661 308 B E H 3> S+ 0 0 122 2,-0.2 4,-1.3 3,-0.1 -1,-0.3 0.777 108.3 53.9 -90.2 -28.1 3.2 -51.7 7.2 662 309 B K H <> S+ 0 0 78 -3,-0.6 4,-1.0 2,-0.2 -2,-0.2 0.832 112.6 45.6 -71.8 -31.0 6.1 -51.4 4.8 663 310 B V H X S+ 0 0 5 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.802 109.3 54.9 -80.0 -28.9 8.5 -51.5 7.8 664 311 B A H X S+ 0 0 31 -4,-0.7 4,-2.1 -5,-0.3 -2,-0.2 0.794 106.0 53.3 -72.1 -27.0 6.6 -54.4 9.4 665 312 B T H X S+ 0 0 13 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.823 105.4 52.4 -74.9 -34.8 7.2 -56.3 6.1 666 313 B V H X S+ 0 0 0 -4,-1.0 4,-1.8 2,-0.2 -2,-0.2 0.857 110.3 50.1 -69.3 -33.8 10.9 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105.4 58.7 -67.5 -51.1 47.2 -59.9 25.3 698 345 B R H 3< S+ 0 0 74 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.709 92.2 68.8 -51.4 -29.4 47.4 -61.7 28.7 699 346 B L T 3< S+ 0 0 146 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.848 120.6 16.5 -62.9 -34.2 50.8 -63.2 28.0 700 347 B C T <4 S+ 0 0 104 -3,-1.6 -2,-0.2 -4,-0.5 -1,-0.2 0.640 138.5 33.5-111.0 -23.2 52.4 -59.8 28.1 701 348 B S X + 0 0 9 -4,-2.8 4,-2.8 -5,-0.1 5,-0.2 -0.570 58.1 163.7-137.7 74.0 49.8 -57.7 29.9 702 349 B P H > S+ 0 0 81 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.890 80.4 49.1 -57.6 -44.5 47.8 -59.6 32.5 703 350 B G H > S+ 0 0 30 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.932 115.5 43.2 -62.4 -45.8 46.4 -56.5 34.2 704 351 B F H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.908 110.6 55.2 -65.6 -43.9 45.2 -54.9 30.9 705 352 B A H X S+ 0 0 0 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.842 105.4 55.1 -58.6 -33.9 43.9 -58.2 29.6 706 353 B A H X S+ 0 0 38 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.922 107.4 47.2 -66.9 -44.6 41.7 -58.4 32.7 707 354 B S H X S+ 0 0 2 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.848 109.4 54.5 -66.9 -31.8 40.2 -55.0 32.2 708 355 B V H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.860 105.7 53.8 -68.3 -33.4 39.5 -55.9 28.5 709 356 B E H X S+ 0 0 71 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.914 106.6 51.6 -63.5 -44.5 37.7 -59.0 29.8 710 357 B T H X S+ 0 0 63 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.883 110.2 48.1 -59.8 -41.6 35.5 -56.8 32.0 711 358 B L H >X S+ 0 0 5 -4,-1.8 3,-0.8 1,-0.2 4,-0.8 0.919 109.6 52.9 -65.3 -45.2 34.7 -54.6 29.0 712 359 B W H >X S+ 0 0 12 -4,-2.5 4,-3.2 1,-0.3 3,-1.0 0.893 104.7 57.3 -57.0 -38.6 33.9 -57.7 26.9 713 360 B G H 3< S+ 0 0 56 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.796 104.5 50.1 -63.2 -29.2 31.5 -58.7 29.8 714 361 B K H << S+ 0 0 85 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.594 120.1 38.9 -83.1 -10.8 29.6 -55.5 29.4 715 362 B T H X< S+ 0 0 0 -3,-1.0 3,-2.3 -4,-0.8 -2,-0.2 0.866 88.0 92.4-101.3 -58.1 29.4 -56.2 25.7 716 363 B Y T 3< S- 0 0 84 -4,-3.2 3,-0.1 1,-0.3 -116,-0.0 -0.162 114.1 -14.5 -47.0 119.6 28.8 -59.9 25.1 717 364 B K T 3 S- 0 0 117 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.822 89.3-177.3 51.9 35.1 25.1 -60.7 24.9 718 365 B R < - 0 0 28 -3,-2.3 -1,-0.2 1,-0.2 -3,-0.1 -0.347 24.2-159.4 -60.2 144.1 24.3 -57.2 26.3 719 366 B Q 0 0 135 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.633 360.0 360.0 -95.3 -21.4 20.6 -56.7 26.8 720 367 B K 0 0 68 -5,-0.0 -1,-0.2 -3,-0.0 -112,-0.0 -0.044 360.0 360.0 35.3 360.0 21.3 -53.0 26.8