==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-FEB-08 3CC9 . COMPND 2 MOLECULE: PUTATIVE FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX SAI-1; . AUTHOR A.K.WERNIMONT,J.DUNFORD,J.LEW,Y.ZHAO,I.KOZIERADZKI,D.COSSAR, . 1370 26 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1032 75.3 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 . 12 0.9 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 . 4 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 . 30 2.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 114 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 841 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.2 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 7 0 0 3 2 1 3 8 5 9 1 0 0 1 0 6 1 0 0 0 10 1 1 0 2 2 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 4 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 . 4 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 36 A F >> 0 0 119 0, 0.0 4,-0.9 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 -20.0 -39.2 -1.4 26.6 2 37 A F G >4 + 0 0 16 1,-0.3 3,-0.6 2,-0.2 4,-0.2 0.871 360.0 51.4 -52.4 -42.5 -37.1 0.8 24.3 3 38 A R G >4 S+ 0 0 118 1,-0.2 3,-0.7 2,-0.2 4,-0.3 0.728 100.2 63.8 -70.3 -24.1 -34.9 -2.2 23.4 4 39 A N G <4 S+ 0 0 139 -3,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.803 100.4 52.1 -68.2 -29.8 -37.9 -4.4 22.6 5 40 A M G S+ 0 0 6 -3,-0.7 4,-2.4 -4,-0.2 3,-0.3 0.912 81.6 53.4 -51.1 -51.7 -35.5 -2.1 17.9 7 42 A D H > S+ 0 0 82 -3,-0.3 4,-3.0 -4,-0.3 -1,-0.2 0.807 104.3 56.5 -55.1 -38.9 -36.5 -5.0 15.4 8 43 A K H > S+ 0 0 48 -3,-0.5 4,-2.3 -4,-0.2 -1,-0.2 0.922 110.8 41.1 -62.3 -48.4 -39.6 -3.1 14.3 9 44 A Y H X S+ 0 0 2 -4,-1.4 4,-2.1 -3,-0.3 -2,-0.2 0.908 117.2 49.2 -70.2 -41.2 -37.8 0.0 13.2 10 45 A R H X S+ 0 0 15 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.960 115.0 43.7 -57.2 -54.0 -35.0 -2.0 11.6 11 46 A D H X S+ 0 0 76 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.829 109.4 58.3 -65.1 -34.7 -37.4 -4.2 9.8 12 47 A A H X S+ 0 0 23 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.933 111.3 40.8 -57.4 -49.2 -39.6 -1.2 8.7 13 48 A F H >X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 3,-0.6 0.935 114.8 51.0 -66.8 -46.1 -36.6 0.4 7.0 14 49 A L H 3X S+ 0 0 20 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.824 105.1 58.8 -59.7 -32.3 -35.4 -2.9 5.5 15 50 A S H 3X S+ 0 0 70 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.838 101.9 54.0 -66.8 -33.9 -38.9 -3.5 4.2 16 51 A H H X< S+ 0 0 40 -4,-1.2 3,-1.2 -3,-0.6 -2,-0.2 0.940 109.4 47.0 -61.0 -49.1 -38.7 -0.2 2.2 17 52 A L H >< S+ 0 0 1 -4,-1.6 3,-1.6 1,-0.3 -2,-0.2 0.870 105.8 60.6 -59.7 -37.6 -35.4 -1.4 0.6 18 53 A N H 3< S+ 0 0 74 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.652 93.4 65.5 -66.2 -16.5 -37.1 -4.7 -0.2 19 54 A E T << S+ 0 0 97 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.493 79.7 115.1 -82.8 -5.2 -39.8 -2.9 -2.3 20 55 A Y S < S- 0 0 11 -3,-1.6 2,-1.8 -4,-0.2 7,-0.1 -0.213 83.3-102.0 -65.6 155.1 -37.1 -1.9 -4.8 21 56 A S S S+ 0 0 85 532,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.587 77.2 126.4 -80.5 82.1 -37.2 -3.2 -8.4 22 57 A L - 0 0 13 -2,-1.8 528,-0.1 -4,-0.2 5,-0.0 -0.953 68.0 -88.7-137.8 153.9 -34.5 -5.8 -8.0 23 58 A E > - 0 0 58 -2,-0.3 4,-2.5 526,-0.1 3,-0.4 -0.352 39.9-117.9 -62.5 144.3 -34.1 -9.5 -8.6 24 59 A E H > S+ 0 0 140 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.809 114.9 52.2 -54.4 -36.5 -35.3 -11.6 -5.6 25 60 A E H > S+ 0 0 99 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.877 110.1 48.0 -67.6 -41.1 -31.7 -13.1 -5.2 26 61 A I H > S+ 0 0 0 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.874 107.6 55.8 -69.2 -38.8 -30.2 -9.6 -5.1 27 62 A K H X S+ 0 0 53 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.879 105.6 53.8 -56.0 -40.6 -32.9 -8.5 -2.5 28 63 A E H X S+ 0 0 127 -4,-1.5 4,-1.8 1,-0.2 -2,-0.2 0.895 106.2 51.1 -63.6 -44.1 -31.7 -11.4 -0.3 29 64 A H H X S+ 0 0 20 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.855 112.8 45.9 -61.0 -39.0 -28.1 -10.3 -0.4 30 65 A I H X S+ 0 0 3 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.858 109.7 51.0 -79.0 -35.0 -28.9 -6.8 0.6 31 66 A S H X S+ 0 0 51 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.865 113.1 49.4 -69.6 -32.8 -31.3 -7.6 3.4 32 67 A K H X S+ 0 0 57 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.965 115.5 42.0 -63.8 -54.0 -28.6 -9.9 4.8 33 68 A Y H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.933 118.5 44.4 -60.3 -47.5 -25.9 -7.2 4.5 34 69 A Y H X S+ 0 0 0 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.783 105.8 58.8 -77.8 -26.0 -28.1 -4.4 5.8 35 70 A K H X S+ 0 0 89 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.922 111.0 44.8 -60.4 -44.5 -29.6 -6.3 8.7 36 71 A L H X S+ 0 0 42 -4,-1.5 4,-3.1 2,-0.2 5,-0.4 0.886 107.1 58.7 -67.0 -41.7 -26.0 -6.9 10.0 37 72 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.925 113.7 38.5 -51.8 -49.0 -25.1 -3.2 9.3 38 73 A F H X S+ 0 0 1 -4,-1.9 4,-3.1 2,-0.2 5,-0.4 0.956 119.0 46.8 -65.5 -52.3 -27.8 -2.1 11.7 39 74 A D H X S+ 0 0 33 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.920 113.2 47.1 -58.6 -49.6 -27.4 -4.9 14.3 40 75 A Y H < S+ 0 0 20 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.859 125.1 29.4 -62.7 -36.7 -23.6 -4.6 14.5 41 76 A N H < S+ 0 0 3 -4,-1.2 -2,-0.2 -5,-0.4 -1,-0.2 0.700 120.2 46.1-104.9 -24.1 -23.6 -0.8 14.9 42 77 A C H < S+ 0 0 0 -4,-3.1 2,-0.5 -5,-0.2 3,-0.3 0.606 103.9 69.2 -93.5 -15.2 -26.9 0.2 16.6 43 78 A L S < S+ 0 0 39 -4,-1.2 -1,-0.0 -5,-0.4 0, 0.0 -0.906 83.5 41.5-112.1 130.3 -26.8 -2.4 19.3 44 79 A G S S+ 0 0 62 -2,-0.5 -1,-0.1 1,-0.4 2,-0.1 0.287 79.4 110.0 125.6 -8.6 -24.3 -2.5 22.2 45 80 A G S S- 0 0 21 -3,-0.3 -1,-0.4 1,-0.1 35,-0.0 -0.240 82.3 -99.8 -86.2 179.4 -24.0 1.0 23.5 46 81 A K - 0 0 101 -2,-0.1 -1,-0.1 1,-0.1 301,-0.0 0.723 44.3-143.2 -71.3 -22.6 -25.2 2.7 26.7 47 82 A N > + 0 0 20 301,-0.1 4,-2.8 3,-0.1 5,-0.3 0.677 48.1 146.9 64.9 23.9 -28.2 4.1 24.8 48 83 A N H > S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.849 70.2 48.5 -53.6 -42.2 -28.2 7.4 26.8 49 84 A R H > S+ 0 0 19 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.912 114.6 45.0 -69.7 -42.3 -29.4 9.5 23.8 50 85 A G H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.901 115.1 47.2 -65.0 -44.2 -32.3 7.1 23.0 51 86 A I H X S+ 0 0 49 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.850 106.5 59.7 -67.3 -35.1 -33.3 6.8 26.6 52 87 A L H X S+ 0 0 3 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.910 103.8 50.4 -60.0 -46.2 -33.1 10.5 27.1 53 88 A V H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.968 113.0 45.6 -52.6 -56.6 -35.8 11.0 24.3 54 89 A I H X S+ 0 0 17 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.853 113.6 48.6 -61.3 -38.8 -38.1 8.5 26.0 55 90 A L H X S+ 0 0 26 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.895 113.2 47.0 -67.8 -43.2 -37.7 9.9 29.5 56 91 A I H X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 5,-0.3 0.921 111.9 51.2 -65.0 -43.1 -38.2 13.5 28.4 57 92 A Y H X S+ 0 0 8 -4,-2.8 4,-1.7 -5,-0.2 3,-0.3 0.895 113.4 44.9 -59.3 -43.0 -41.3 12.5 26.4 58 93 A E H X S+ 0 0 80 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.866 113.0 49.4 -70.2 -37.9 -42.8 10.7 29.4 59 94 A Y H < S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.538 115.0 42.7 -86.0 -8.1 -42.0 13.4 31.9 60 95 A V H < S+ 0 0 24 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.786 119.1 43.1 -92.9 -39.6 -43.5 16.3 29.9 61 96 A K H < 0 0 45 -4,-1.7 -2,-0.2 -5,-0.3 -3,-0.2 0.991 360.0 360.0 -72.2 -67.1 -46.6 14.4 28.7 62 97 A N < 0 0 166 -4,-1.2 -1,-0.1 -5,-0.2 -3,-0.1 0.069 360.0 360.0 16.9 360.0 -48.2 12.4 31.6 63 ! 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 64 100 A I 0 0 81 0, 0.0 -6,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 120.1 -49.6 7.6 27.0 65 101 A N > - 0 0 89 1,-0.0 4,-1.4 4,-0.0 5,-0.1 0.059 360.0 -89.2 -85.7-166.4 -50.9 5.1 24.5 66 102 A S H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.859 121.9 46.5 -76.2 -39.9 -49.4 2.6 22.0 67 103 A S H > S+ 0 0 58 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.875 110.3 55.3 -69.8 -38.0 -49.1 4.9 18.9 68 104 A E H > S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.903 110.5 43.9 -60.7 -45.8 -47.6 7.6 21.1 69 105 A W H X S+ 0 0 49 -4,-1.4 4,-3.2 1,-0.2 5,-0.3 0.835 107.7 60.5 -67.5 -34.9 -44.8 5.3 22.4 70 106 A E H X S+ 0 0 69 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.820 109.9 42.1 -60.5 -34.5 -44.3 4.0 18.8 71 107 A K H X S+ 0 0 32 -4,-1.5 4,-1.7 -3,-0.2 -2,-0.2 0.861 115.0 49.8 -79.1 -39.6 -43.4 7.5 17.7 72 108 A A H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.931 112.3 46.4 -63.8 -48.2 -41.3 8.2 20.8 73 109 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.810 107.7 59.8 -66.0 -31.8 -39.3 5.0 20.4 74 110 A C H X S+ 0 0 1 -4,-0.9 4,-2.5 -5,-0.3 -1,-0.2 0.948 108.4 42.5 -55.9 -53.0 -38.9 5.7 16.7 75 111 A L H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.809 112.5 55.4 -66.7 -32.3 -37.1 9.0 17.4 76 112 A A H X S+ 0 0 0 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.930 112.1 41.5 -65.2 -48.7 -35.1 7.3 20.2 77 113 A W H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.840 108.2 61.6 -68.3 -34.1 -33.8 4.6 17.8 78 114 A C H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.891 105.6 47.1 -55.8 -40.3 -33.2 7.3 15.1 79 115 A I H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.831 110.5 51.5 -73.6 -30.2 -30.7 9.0 17.4 80 116 A E H X S+ 0 0 2 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.840 110.0 50.1 -69.2 -34.4 -29.1 5.6 18.1 81 117 A I H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.884 109.4 51.2 -68.2 -39.3 -28.9 5.1 14.4 82 118 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.930 109.8 49.4 -60.6 -47.3 -27.3 8.6 14.1 83 119 A Q H X S+ 0 0 29 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.883 109.6 53.0 -57.5 -40.9 -24.8 7.6 16.8 84 120 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.927 109.7 47.2 -61.7 -45.2 -24.1 4.4 14.8 85 121 A A H X S+ 0 0 3 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.901 113.4 48.4 -62.6 -42.7 -23.4 6.5 11.7 86 122 A F H X S+ 0 0 40 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.895 111.8 51.0 -60.5 -42.6 -21.2 8.8 13.7 87 123 A L H X S+ 0 0 13 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.934 111.5 44.9 -62.2 -51.6 -19.4 5.8 15.2 88 124 A V H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.953 117.6 44.9 -59.3 -50.6 -18.7 4.1 11.8 89 125 A A H X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.893 111.8 52.8 -61.6 -42.6 -17.6 7.4 10.2 90 126 A D H X S+ 0 0 29 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.845 108.4 49.6 -63.1 -37.7 -15.4 8.4 13.2 91 127 A D H <>S+ 0 0 10 -4,-2.0 5,-2.3 2,-0.2 4,-0.4 0.839 110.8 50.0 -74.1 -34.7 -13.6 5.0 13.2 92 128 A I H ><5S+ 0 0 10 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.971 115.8 43.3 -59.0 -54.0 -12.8 5.3 9.5 93 129 A M H 3<5S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.3 372,-0.2 0.895 121.4 38.0 -62.3 -45.9 -11.5 8.9 9.9 94 130 A D T 3<5S- 0 0 34 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.330 106.2-124.3 -88.2 5.8 -9.5 8.1 13.1 95 131 A K T < 5 - 0 0 117 -3,-1.0 -3,-0.2 -4,-0.4 -4,-0.1 0.949 44.3-169.2 45.8 58.8 -8.4 4.7 11.8 96 132 A G < - 0 0 14 -5,-2.3 3,-0.1 1,-0.1 -1,-0.1 -0.198 26.2-161.0 -74.6 167.1 -9.8 3.0 15.0 97 133 A E S S+ 0 0 97 1,-0.4 7,-1.7 6,-0.1 2,-0.4 0.752 71.3 20.5-112.9 -55.5 -9.3 -0.5 16.1 98 134 A M E -A 103 0A 109 5,-0.2 -1,-0.4 3,-0.0 2,-0.3 -0.931 53.9-179.0-122.6 143.3 -12.1 -1.4 18.6 99 135 A R E > S-A 102 0A 76 3,-3.1 3,-1.0 -2,-0.4 -12,-0.0 -0.976 79.0 -6.9-138.7 130.3 -15.5 0.2 19.2 100 136 A R T 3 S- 0 0 63 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.877 130.1 -56.6 50.7 41.6 -17.8 -1.1 22.0 101 137 A N T 3 S+ 0 0 163 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.694 122.4 80.6 69.7 24.2 -15.4 -4.1 22.6 102 138 A K E < S-A 99 0A 62 -3,-1.0 -3,-3.1 0, 0.0 -1,-0.2 -0.951 90.8 -68.5-150.4 165.4 -15.4 -5.4 19.1 103 139 A Y E -A 98 0A 62 427,-0.3 -5,-0.2 -2,-0.3 2,-0.1 -0.261 56.0-103.0 -58.5 137.9 -13.7 -4.7 15.7 104 140 A C >> - 0 0 2 -7,-1.7 3,-1.6 1,-0.1 4,-0.5 -0.389 30.4-118.9 -58.2 135.9 -14.7 -1.4 14.0 105 141 A W G >4 S+ 0 0 3 1,-0.3 3,-1.6 2,-0.2 7,-0.4 0.873 110.5 57.3 -41.9 -51.2 -17.1 -2.1 11.1 106 142 A Y G 34 S+ 0 0 25 1,-0.3 -1,-0.3 -18,-0.2 6,-0.2 0.708 98.5 61.6 -62.4 -23.1 -14.6 -0.7 8.5 107 143 A L G <4 S+ 0 0 50 -3,-1.6 -1,-0.3 5,-0.1 -2,-0.2 0.671 77.6 111.7 -75.8 -20.6 -11.9 -3.2 9.4 108 144 A L S XX S- 0 0 0 -3,-1.6 3,-1.8 -4,-0.5 4,-1.7 -0.340 71.6-131.5 -66.0 133.6 -13.9 -6.2 8.5 109 145 A K T 34 S+ 0 0 24 423,-2.5 -1,-0.1 420,-0.3 424,-0.1 0.847 109.0 47.0 -48.1 -43.2 -12.7 -8.3 5.5 110 146 A D T 34 S+ 0 0 16 422,-0.3 -1,-0.3 419,-0.3 410,-0.1 0.523 122.8 34.6 -80.2 -7.2 -16.3 -8.3 4.0 111 147 A V T <> S+ 0 0 0 -3,-1.8 4,-0.9 -6,-0.2 -2,-0.2 0.794 76.9 169.9-109.8 -71.5 -16.8 -4.6 4.6 112 148 A E H X - 0 0 69 -4,-1.7 4,-2.1 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H X S+ 0 0 55 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.865 104.7 61.5 -64.4 -35.9 25.8 -24.8 -21.1 1103 87 D L H X S+ 0 0 10 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.860 104.4 48.0 -57.0 -40.3 28.4 -22.2 -22.2 1104 88 D V H X S+ 0 0 1 -4,-1.0 4,-2.8 -3,-0.3 5,-0.3 0.966 113.2 48.0 -61.6 -54.3 30.7 -23.4 -19.3 1105 89 D I H X S+ 0 0 46 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.931 116.3 42.5 -51.6 -54.1 30.1 -27.0 -20.3 1106 90 D L H X S+ 0 0 51 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.858 114.9 49.0 -66.3 -39.2 30.8 -26.4 -24.0 1107 91 D I H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.943 112.1 48.0 -66.9 -47.5 33.8 -24.1 -23.5 1108 92 D Y H < S+ 0 0 34 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.864 113.7 49.9 -58.3 -38.0 35.5 -26.5 -21.0 1109 93 D E H < S+ 0 0 104 -4,-1.9 -2,-0.2 -5,-0.3 -1,-0.2 0.917 116.2 38.6 -66.6 -46.6 34.9 -29.3 -23.5 1110 94 D Y H < 0 0 89 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.566 360.0 360.0 -90.6 -10.5 36.3 -27.6 -26.6 1111 95 D V < 0 0 52 -4,-1.8 -2,-0.2 272,-0.2 -3,-0.2 0.949 360.0 360.0 -74.5 360.0 39.2 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0.839 109.6 50.8 -66.5 -37.4 39.7 -10.7 -26.5 1283 272 D I H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.887 108.1 53.9 -64.9 -40.5 37.1 -12.8 -24.7 1284 273 D E H X S+ 0 0 55 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.904 109.8 46.3 -59.4 -46.0 36.1 -9.8 -22.7 1285 274 D D H X S+ 0 0 82 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.884 113.3 48.5 -66.5 -42.0 35.6 -7.7 -25.8 1286 275 D I H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.914 110.1 52.6 -62.2 -44.3 33.5 -10.4 -27.5 1287 276 D S H X S+ 0 0 6 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.873 106.9 52.9 -59.2 -41.2 31.4 -10.8 -24.3 1288 277 D M H X S+ 0 0 34 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.908 111.7 45.6 -59.1 -46.4 30.7 -7.1 -24.4 1289 278 D L H X S+ 0 0 32 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.863 115.4 47.4 -63.1 -39.3 29.5 -7.3 -28.0 1290 279 D M H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.863 108.8 52.9 -74.6 -37.1 27.4 -10.4 -27.1 1291 280 D G H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.844 111.5 47.6 -64.5 -36.2 25.9 -8.9 -24.0 1292 281 D E H X S+ 0 0 16 -4,-1.5 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2,-0.3 1,-0.2 -97,-0.2 0.860 52.5 168.1 56.3 43.7 10.6 4.1 -17.0 1313 310 D K < - 0 0 17 -5,-2.0 2,-0.9 -6,-0.1 -1,-0.2 -0.686 43.8-117.0 -97.6 142.0 13.6 2.0 -18.3 1314 311 D L + 0 0 5 -2,-0.3 2,-0.3 -103,-0.3 -1,-0.0 -0.644 49.8 170.7 -70.7 105.0 16.2 3.1 -20.8 1315 312 D T > - 0 0 6 -2,-0.9 4,-1.7 1,-0.1 5,-0.1 -0.742 45.4-116.0-116.0 165.3 15.6 0.6 -23.6 1316 313 D W H > S+ 0 0 37 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.927 114.2 52.8 -65.8 -48.6 16.9 0.3 -27.2 1317 314 D P H > S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.845 110.0 50.6 -56.8 -34.4 13.5 0.8 -28.9 1318 315 D L H > S+ 0 0 8 2,-0.2 4,-2.6 3,-0.2 -2,-0.2 0.913 112.4 46.0 -65.2 -45.3 13.1 4.0 -26.8 1319 316 D I H X S+ 0 0 15 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.933 115.3 45.5 -63.8 -48.6 16.6 5.2 -27.9 1320 317 D K H < S+ 0 0 26 -4,-3.0 4,-0.4 2,-0.2 -1,-0.2 0.851 115.5 47.3 -65.6 -38.0 16.1 4.4 -31.6 1321 318 D T H >X S+ 0 0 9 -4,-2.0 4,-2.1 -5,-0.3 3,-1.4 0.946 110.5 50.9 -67.4 -50.1 12.6 5.9 -31.6 1322 319 D F H 3< S+ 0 0 27 -4,-2.6 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H > S+ 0 0 39 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.856 106.1 49.4 -60.8 -40.2 -3.0 2.2 -20.2 1343 340 D A H > S+ 0 0 47 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.893 111.9 50.0 -65.2 -40.7 -3.3 5.3 -22.4 1344 341 D C H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.901 114.4 41.9 -65.0 -45.5 0.3 6.2 -21.7 1345 342 D V H X S+ 0 0 17 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.785 113.0 53.8 -74.9 -28.6 1.8 2.8 -22.5 1346 343 D K H X S+ 0 0 44 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.820 106.8 52.2 -74.4 -33.4 -0.5 2.3 -25.6 1347 344 D V H X S+ 0 0 38 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.915 111.0 46.2 -66.4 -46.2 0.7 5.7 -27.0 1348 345 D I H X S+ 0 0 3 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.865 112.1 52.7 -64.1 -37.2 4.4 4.6 -26.6 1349 346 D D H X S+ 0 0 50 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.892 108.1 51.2 -61.1 -42.0 3.4 1.2 -28.1 1350 347 D S H X S+ 0 0 74 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.827 107.4 52.5 -65.6 -36.3 1.9 3.1 -31.1 1351 348 D L H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.869 106.7 53.2 -66.7 -38.7 5.1 5.2 -31.6 1352 349 D Y H < S+ 0 0 25 -4,-1.6 6,-0.3 1,-0.2 -2,-0.2 0.858 109.7 47.8 -65.6 -38.6 7.2 2.0 -31.7 1353 350 D E H < S+ 0 0 84 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.5 49.1 -66.5 -40.2 5.0 0.6 -34.5 1354 351 D Q H < 0 0 128 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.918 360.0 360.0 -66.3 -47.5 5.1 3.8 -36.4 1355 352 D Y < 0 0 53 -4,-2.6 4,-0.2 -5,-0.1 -3,-0.2 0.787 360.0 360.0 -98.5 360.0 8.9 4.3 -36.3 1356 ! 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 1357 354 D I > 0 0 19 0, 0.0 4,-1.6 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 -15.9 11.0 -0.2 -34.9 1358 355 D R H > + 0 0 44 -6,-0.3 4,-1.6 1,-0.2 5,-0.1 0.834 360.0 51.1 -67.7 -34.8 10.9 -4.0 -35.4 1359 356 D K H > S+ 0 0 71 -4,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.851 107.3 53.8 -67.5 -37.6 12.4 -3.5 -38.9 1360 357 D H H > S+ 0 0 85 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.827 106.2 52.0 -69.5 -33.7 15.2 -1.5 -37.3 1361 358 D Y H X S+ 0 0 16 -4,-1.6 4,-3.8 2,-0.2 -1,-0.2 0.931 106.7 52.7 -63.3 -47.9 16.1 -4.2 -34.8 1362 359 D E H X S+ 0 0 114 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.803 110.6 49.2 -59.7 -31.2 16.3 -6.8 -37.6 1363 360 D S H X S+ 0 0 84 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.914 113.9 44.9 -69.1 -46.9 18.7 -4.3 -39.3 1364 361 D Y H X S+ 0 0 33 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.916 109.7 56.2 -61.9 -46.5 20.7 -4.0 -36.0 1365 362 D E H X S+ 0 0 53 -4,-3.8 4,-2.5 1,-0.2 -1,-0.2 0.904 107.3 47.4 -53.3 -49.8 20.7 -7.8 -35.4 1366 363 D K H X S+ 0 0 57 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.839 115.7 45.7 -62.8 -36.0 22.3 -8.6 -38.8 1367 364 D A H X S+ 0 0 65 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.899 114.8 45.4 -74.4 -44.2 25.0 -5.9 -38.3 1368 365 D Q H X S+ 0 0 9 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.884 110.2 55.4 -67.6 -39.7 25.8 -6.8 -34.7 1369 366 D K H X S+ 0 0 63 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.892 110.8 44.5 -58.5 -43.7 25.9 -10.6 -35.5 1370 367 D A H X S+ 0 0 60 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.811 110.3 55.2 -72.5 -32.1 28.5 -9.9 -38.3 1371 368 D K H X S+ 0 0 105 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.864 110.4 46.9 -63.6 -37.7 30.5 -7.6 -35.9 1372 369 D I H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.912 109.2 51.4 -73.5 -45.4 30.6 -10.5 -33.4 1373 370 D L H X S+ 0 0 55 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.837 108.7 54.3 -58.6 -35.1 31.7 -13.2 -35.9 1374 371 D S H < S+ 0 0 84 -4,-1.5 4,-0.3 2,-0.2 -1,-0.2 0.880 110.1 44.5 -67.7 -41.3 34.5 -10.9 -37.0 1375 372 D A H >< S+ 0 0 31 -4,-1.4 3,-1.3 1,-0.2 -2,-0.2 0.889 110.3 56.7 -68.2 -40.4 35.8 -10.5 -33.4 1376 373 D I H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 5,-0.3 0.866 101.6 56.7 -56.3 -40.5 35.4 -14.3 -32.9 1377 374 D N T 3< S+ 0 0 77 -4,-1.6 -1,-0.2 1,-0.3 3,-0.2 0.529 98.5 60.2 -76.4 -6.2 37.7 -15.0 -35.9 1378 375 D E T < S+ 0 0 48 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.348 84.2 83.4 -96.1 2.5 40.5 -12.9 -34.5 1379 376 D L S < S- 0 0 14 -3,-1.5 -2,-0.2 -4,-0.1 -1,-0.1 0.807 81.2-150.0 -73.1 -32.8 40.6 -15.2 -31.4 1380 377 D H + 0 0 150 -4,-0.3 2,-0.3 -3,-0.2 -3,-0.1 0.843 58.5 115.3 60.9 39.1 42.8 -17.8 -33.2 1381 378 D H > - 0 0 61 -5,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.869 50.0-163.1-139.7 102.3 41.3 -20.7 -31.2 1382 379 D E H > S+ 0 0 177 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.819 88.0 49.6 -53.1 -41.9 39.4 -23.3 -33.2 1383 380 D G H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 114.0 41.1 -68.2 -50.8 37.6 -24.8 -30.2 1384 381 D I H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 114.0 55.7 -66.1 -37.6 36.3 -21.6 -28.5 1385 382 D E H X S+ 0 0 31 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.908 105.4 51.6 -59.1 -46.0 35.4 -20.2 -32.0 1386 383 D Y H X S+ 0 0 135 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.927 113.6 44.4 -57.1 -48.1 33.2 -23.2 -32.7 1387 384 D V H X S+ 0 0 1 -4,-1.7 4,-3.6 2,-0.2 5,-0.2 0.947 113.4 48.5 -62.8 -51.7 31.4 -22.8 -29.4 1388 385 D L H X S+ 0 0 5 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.881 112.7 47.9 -60.7 -42.7 30.9 -19.0 -29.6 1389 386 D K H X S+ 0 0 76 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.868 115.8 45.7 -62.2 -40.4 29.6 -19.2 -33.2 1390 387 D Y H X S+ 0 0 44 -4,-1.8 4,-1.7 -5,-0.3 3,-0.3 0.900 111.1 52.3 -67.5 -44.5 27.2 -22.0 -32.1 1391 388 D L H < S+ 0 0 20 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.877 105.7 55.4 -58.0 -41.3 26.2 -20.1 -29.0 1392 389 D L H >< S+ 0 0 5 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.829 107.3 49.9 -61.9 -34.9 25.4 -17.1 -31.2 1393 390 D E H 3< S+ 0 0 122 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.849 116.6 41.1 -70.5 -36.3 23.0 -19.3 -33.2 1394 391 D I T 3< 0 0 100 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 -0.298 360.0 360.0-112.4 45.8 21.2 -20.6 -30.1 1395 392 D L < 0 0 53 -3,-0.7 -1,-0.2 -5,-0.0 -2,-0.1 0.890 360.0 360.0 -84.5 360.0 20.9 -17.4 -28.0