==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-JUL-09 3ICN . COMPND 2 MOLECULE: FARNESYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR L.M.AMZEL,C.H.HUANG,S.B.GABELLI,E.OLDFIELD . 362 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 79.0 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 . 5 1.4 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 . 1 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 . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 234 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 0 0 1 0 0 2 0 0 1 0 1 3 0 0 0 0 0 0 2 2 1 0 0 0 0 1 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 . 1 1 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 . 1 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 0 186 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 139.5 -10.7 3.6 171.1 2 2 A A H > + 0 0 61 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.892 360.0 54.7 -64.9 -43.0 -13.5 4.8 168.8 3 3 A S H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.913 106.4 51.7 -61.1 -46.4 -13.0 8.5 169.5 4 4 A M H > S+ 0 0 51 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 108.0 52.6 -52.4 -45.2 -9.2 8.3 168.6 5 5 A E H X S+ 0 0 127 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.821 107.8 51.1 -61.1 -33.5 -10.1 6.7 165.3 6 6 A R H X S+ 0 0 140 -4,-1.5 4,-0.8 -3,-0.3 -2,-0.2 0.886 109.7 49.6 -72.8 -35.8 -12.5 9.5 164.6 7 7 A F H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.7 0.909 109.9 52.3 -68.4 -41.7 -9.8 12.1 165.4 8 8 A L H 3X S+ 0 0 29 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.831 100.8 60.7 -63.8 -34.1 -7.4 10.2 163.0 9 9 A S H 3X S+ 0 0 64 -4,-1.4 4,-0.9 1,-0.2 -1,-0.2 0.778 102.7 51.5 -66.0 -25.4 -9.9 10.3 160.2 10 10 A V H S+ 0 0 30 -4,-1.8 4,-2.2 2,-0.2 5,-0.6 0.846 105.8 54.7 -74.3 -36.0 -3.1 21.9 147.6 22 22 A L H X5S+ 0 0 26 -4,-1.4 4,-1.8 3,-0.2 6,-1.6 0.929 115.6 41.8 -57.0 -42.8 0.7 21.3 147.2 23 23 A Q H <5S+ 0 0 131 -4,-1.7 4,-0.4 4,-0.2 -2,-0.2 0.920 120.7 38.5 -71.6 -45.0 -0.1 19.7 143.9 24 24 A S H <5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.1 -3,-0.2 0.720 134.9 18.4 -88.1 -18.6 -2.7 22.1 142.6 25 25 A K H <5S+ 0 0 141 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.607 126.1 42.8-126.1 -15.2 -1.1 25.3 143.8 26 26 A Y S < - 0 0 53 1,-0.1 4,-2.6 -2,-0.0 3,-0.4 -0.700 27.6-105.9 -91.0 154.8 5.8 16.4 142.0 30 30 A P H > S+ 0 0 106 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.820 118.0 50.0 -49.2 -45.3 4.5 13.0 143.2 31 31 A N H > S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.867 113.3 44.0 -64.2 -42.8 7.8 12.0 144.9 32 32 A R H > S+ 0 0 163 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.803 114.8 51.2 -67.1 -29.9 8.2 15.2 146.8 33 33 A A H X S+ 0 0 20 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.954 111.0 48.3 -70.2 -43.9 4.5 15.0 147.6 34 34 A R H X S+ 0 0 132 -4,-3.2 4,-2.6 -5,-0.2 5,-0.2 0.904 108.4 54.2 -55.7 -46.6 5.2 11.4 148.8 35 35 A Y H X S+ 0 0 63 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.941 110.7 45.3 -56.9 -50.2 8.2 12.5 150.9 36 36 A L H X S+ 0 0 18 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.799 110.0 54.6 -66.6 -27.1 6.1 15.1 152.8 37 37 A R H X S+ 0 0 97 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.946 112.0 43.6 -68.8 -46.0 3.3 12.6 153.3 38 38 A I H X S+ 0 0 42 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.930 113.7 53.1 -62.3 -40.7 5.8 10.2 154.9 39 39 A M H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 5,-0.3 0.927 110.1 46.1 -59.8 -44.0 7.2 13.2 156.8 40 40 A M H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.5 0.930 116.1 45.8 -63.2 -47.1 3.8 14.1 158.1 41 41 A D H X S+ 0 0 46 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.950 115.5 45.2 -63.5 -47.6 3.0 10.5 159.1 42 42 A T H < S+ 0 0 30 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.870 123.7 34.9 -68.7 -33.6 6.3 9.8 160.8 43 43 A T H < S+ 0 0 10 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.805 125.7 35.1 -93.5 -29.0 6.4 13.1 162.6 44 44 A C H < S+ 0 0 0 -4,-3.0 3,-0.3 -5,-0.3 2,-0.2 0.710 111.0 59.0 -97.8 -22.0 2.7 13.7 163.5 45 45 A L S < S+ 0 0 40 -4,-1.9 3,-0.1 -5,-0.5 -37,-0.0 -0.629 76.6 54.0-106.5 164.5 1.5 10.1 164.1 46 46 A G S S+ 0 0 52 1,-0.3 -1,-0.1 -2,-0.2 2,-0.1 0.331 82.0 104.7 101.9 -5.8 2.4 7.3 166.5 47 47 A G S S- 0 0 22 -3,-0.3 -1,-0.3 1,-0.0 -3,-0.0 -0.165 88.2 -91.5 -93.8-167.9 2.1 9.2 169.8 48 48 A K - 0 0 62 314,-0.1 5,-0.1 -3,-0.1 -3,-0.0 0.660 42.5-138.6 -76.2 -20.3 -0.5 9.2 172.5 49 49 A Y > + 0 0 22 3,-0.1 4,-2.9 39,-0.1 5,-0.3 0.756 51.9 147.9 57.2 27.3 -2.5 12.1 170.9 50 50 A F H > + 0 0 31 2,-0.2 4,-1.8 1,-0.2 -1,-0.0 0.946 68.9 43.2 -48.8 -54.6 -2.9 13.5 174.5 51 51 A R H > S+ 0 0 11 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.911 117.4 45.7 -67.7 -42.4 -2.9 17.2 173.4 52 52 A G H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.909 113.4 46.8 -63.5 -48.4 -5.2 16.6 170.5 53 53 A M H X S+ 0 0 26 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.758 102.6 67.4 -68.9 -24.3 -7.7 14.4 172.3 54 54 A T H X S+ 0 0 3 -4,-1.8 4,-2.5 -5,-0.3 -1,-0.2 0.946 101.2 46.4 -59.9 -45.0 -7.7 17.0 175.1 55 55 A V H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.900 112.9 49.9 -65.7 -37.5 -9.3 19.6 172.8 56 56 A V H X S+ 0 0 7 -4,-1.4 4,-2.6 1,-0.2 -2,-0.2 0.965 111.4 49.7 -61.5 -54.7 -11.9 16.9 171.7 57 57 A N H X S+ 0 0 37 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.888 110.2 49.0 -43.4 -54.2 -12.6 16.0 175.3 58 58 A V H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.937 114.4 46.0 -61.1 -46.4 -13.1 19.7 176.4 59 59 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.872 109.1 55.7 -59.4 -40.4 -15.5 20.3 173.5 60 60 A E H X S+ 0 0 79 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.880 104.9 53.8 -63.3 -37.6 -17.3 17.0 174.2 61 61 A G H X S+ 0 0 17 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.922 110.3 44.3 -61.8 -48.6 -18.0 18.1 177.7 62 62 A F H >X S+ 0 0 21 -4,-1.6 3,-1.4 1,-0.2 4,-0.6 0.915 109.2 57.7 -67.6 -38.9 -19.6 21.4 176.7 63 63 A L H >< S+ 0 0 19 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.835 101.3 57.3 -54.6 -34.8 -21.6 19.6 174.0 64 64 A A H 3< S+ 0 0 88 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.618 115.9 34.7 -76.7 -13.5 -23.2 17.3 176.6 65 65 A V H << S+ 0 0 94 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 0.299 107.5 76.0-120.7 6.7 -24.6 20.2 178.6 66 66 A T S << S- 0 0 63 -3,-0.7 2,-0.6 -4,-0.6 0, 0.0 -0.945 77.1-116.8-128.7 141.9 -25.4 22.7 175.8 67 67 A Q + 0 0 168 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.1 -0.698 48.2 148.0 -82.6 118.7 -28.3 22.9 173.3 68 68 A H - 0 0 47 -2,-0.6 2,-0.0 -5,-0.1 -2,-0.0 -0.979 47.6-103.6-143.2 153.4 -27.2 22.6 169.6 69 69 A D > - 0 0 114 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.272 42.1-106.3 -62.2 160.0 -28.6 21.3 166.4 70 70 A E H > S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.950 120.6 49.9 -57.3 -48.7 -27.2 18.0 165.2 71 71 A A H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.803 108.8 52.0 -61.3 -34.5 -25.1 19.7 162.4 72 72 A T H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 108.3 51.5 -68.5 -46.6 -23.7 22.3 164.8 73 73 A K H X S+ 0 0 58 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.939 110.2 48.9 -51.3 -50.5 -22.6 19.5 167.1 74 74 A E H X S+ 0 0 117 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.849 111.4 50.1 -64.0 -32.7 -20.9 17.8 164.2 75 75 A R H X S+ 0 0 87 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.837 109.4 50.6 -69.1 -37.4 -19.2 21.1 163.2 76 76 A I H X S+ 0 0 5 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.923 112.2 46.6 -69.6 -42.2 -17.9 21.7 166.7 77 77 A L H X S+ 0 0 55 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.871 112.6 49.7 -66.7 -41.8 -16.4 18.2 167.0 78 78 A H H X S+ 0 0 52 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.888 112.5 47.9 -65.1 -40.1 -14.8 18.5 163.6 79 79 A D H X S+ 0 0 1 -4,-2.4 4,-3.4 2,-0.2 5,-0.3 0.926 109.4 53.2 -63.1 -46.8 -13.4 22.0 164.7 80 80 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.918 110.6 47.8 -52.3 -47.5 -12.1 20.4 167.9 81 81 A C H X S+ 0 0 13 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.848 111.6 49.8 -61.7 -39.5 -10.4 17.7 165.7 82 82 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.949 113.2 45.2 -68.3 -46.8 -8.9 20.3 163.5 83 83 A G H X S+ 0 0 0 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.886 110.2 56.3 -61.2 -38.6 -7.5 22.4 166.4 84 84 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.938 107.4 47.6 -56.7 -47.4 -6.3 19.2 168.0 85 85 A W H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.858 104.8 60.6 -64.9 -31.5 -4.3 18.5 164.9 86 86 A M H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.942 111.3 40.7 -56.5 -44.0 -2.9 22.1 164.9 87 87 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.903 112.7 52.4 -72.4 -41.8 -1.5 21.3 168.2 88 88 A E H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.886 113.2 47.1 -61.9 -38.3 -0.3 17.8 167.3 89 89 A F H X S+ 0 0 0 -4,-3.3 4,-2.3 2,-0.2 -1,-0.2 0.828 109.4 52.2 -67.8 -35.4 1.4 19.4 164.3 90 90 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.884 112.0 47.7 -71.0 -36.8 3.0 22.2 166.4 91 91 A Q H X S+ 0 0 11 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.924 107.4 54.4 -64.4 -47.1 4.3 19.5 168.7 92 92 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.931 107.8 53.2 -49.5 -48.2 5.6 17.5 165.7 93 93 A H H X S+ 0 0 15 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.921 111.4 43.4 -49.3 -51.7 7.5 20.7 164.7 94 94 A Y H X S+ 0 0 18 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.901 112.9 52.5 -71.1 -37.6 9.1 21.1 168.1 95 95 A L H X S+ 0 0 17 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.896 106.7 52.3 -59.6 -47.5 10.0 17.4 168.4 96 96 A V H X S+ 0 0 6 -4,-2.6 4,-1.3 -5,-0.2 18,-0.2 0.974 118.0 37.4 -57.6 -52.2 11.7 17.4 164.9 97 97 A E H X S+ 0 0 32 -4,-1.9 4,-2.5 1,-0.2 3,-0.3 0.921 115.3 53.6 -64.7 -45.2 13.9 20.3 165.9 98 98 A D H X S+ 0 0 21 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.825 103.2 57.5 -60.7 -34.0 14.4 19.2 169.5 99 99 A D H X>S+ 0 0 7 -4,-2.3 5,-1.9 2,-0.2 4,-0.6 0.891 109.0 45.7 -69.6 -38.5 15.6 15.8 168.5 100 100 A I H ><5S+ 0 0 42 -4,-1.3 3,-1.0 -3,-0.3 -2,-0.2 0.963 114.3 49.2 -58.8 -53.3 18.4 17.5 166.4 101 101 A M H 3<5S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.824 115.7 42.1 -57.3 -34.9 19.2 19.8 169.3 102 102 A D H 3<5S- 0 0 14 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.491 104.9-122.9 -95.5 -5.4 19.4 17.0 171.9 103 103 A G T <<5 + 0 0 34 -3,-1.0 -3,-0.2 -4,-0.6 2,-0.1 0.890 50.1 173.5 63.7 35.7 21.3 14.5 169.8 104 104 A S < - 0 0 11 -5,-1.9 -1,-0.2 -6,-0.2 8,-0.1 -0.428 26.7-165.3 -77.6 154.4 18.4 12.0 170.2 105 105 A V + 0 0 59 160,-0.3 7,-2.4 1,-0.2 2,-0.4 0.771 66.4 34.5-107.3 -35.1 18.3 8.6 168.4 106 106 A M E +A 111 0A 39 5,-0.3 159,-0.6 159,-0.2 2,-0.3 -0.939 50.7 175.7-133.1 140.9 14.8 7.3 168.7 107 107 A R E > S-A 110 0A 43 3,-3.2 3,-1.5 -2,-0.4 157,-0.2 -0.960 76.6 -6.9-145.7 134.3 11.3 8.8 168.9 108 108 A R T 3 S- 0 0 61 -2,-0.3 156,-0.2 1,-0.2 155,-0.1 0.847 129.8 -55.8 45.4 41.1 8.0 6.8 169.1 109 109 A G T 3 S+ 0 0 50 154,-2.8 -1,-0.2 1,-0.2 155,-0.1 0.648 123.5 89.0 76.6 13.7 9.9 3.6 168.5 110 110 A K E < S-A 107 0A 122 -3,-1.5 -3,-3.2 153,-0.4 -1,-0.2 -0.921 91.5 -78.2-135.3 161.6 11.5 4.7 165.3 111 111 A P E -A 106 0A 60 0, 0.0 -5,-0.3 0, 0.0 5,-0.1 -0.308 63.8 -91.1 -57.4 145.5 14.7 6.6 164.4 112 112 A C >> - 0 0 0 -7,-2.4 3,-2.9 1,-0.1 4,-0.6 -0.325 43.0-109.5 -54.1 142.0 14.3 10.3 165.1 113 113 A W G >4 S+ 0 0 14 1,-0.3 3,-1.9 2,-0.2 7,-0.3 0.874 119.6 54.9 -42.3 -52.5 13.1 11.9 161.9 114 114 A Y G 34 S+ 0 0 37 1,-0.3 6,-0.6 -18,-0.2 -1,-0.3 0.674 102.9 60.5 -59.4 -13.1 16.4 13.6 161.2 115 115 A R G <4 S+ 0 0 114 -3,-2.9 -1,-0.3 4,-0.1 -2,-0.2 0.533 72.4 114.1 -97.6 -6.8 18.1 10.2 161.5 116 116 A F S XX S- 0 0 51 -3,-1.9 3,-2.4 -4,-0.6 4,-1.4 -0.501 76.4-126.0 -57.7 132.2 16.2 8.6 158.6 117 117 A P T 34 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.804 108.7 46.2 -57.2 -38.4 18.9 8.0 155.9 118 118 A G T 34 S+ 0 0 63 1,-0.1 -2,-0.1 2,-0.0 -3,-0.1 0.244 115.1 51.2 -89.9 9.5 17.0 9.9 153.2 119 119 A V T <> S+ 0 0 5 -3,-2.4 4,-0.7 -6,-0.1 -5,-0.1 0.774 72.6 172.3-102.5 -70.2 16.4 12.8 155.6 120 120 A T H X - 0 0 65 -4,-1.4 4,-2.1 -6,-0.6 3,-0.4 0.153 54.8 -73.5 66.7 166.3 19.6 14.0 157.4 121 121 A T H > S+ 0 0 59 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 126.2 58.0 -62.2 -42.6 19.8 17.1 159.6 122 122 A Q H > S+ 0 0 153 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.819 112.1 39.2 -65.1 -35.1 19.6 19.7 156.8 123 123 A C H X S+ 0 0 45 -4,-0.7 4,-2.5 -3,-0.4 -1,-0.2 0.872 111.9 58.3 -75.4 -39.6 16.3 18.5 155.4 124 124 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.875 99.1 58.1 -63.9 -35.2 14.8 17.8 158.8 125 125 A I H X S+ 0 0 74 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T <<5 - 0 0 2 -3,-1.1 -3,-0.2 -4,-1.0 -2,-0.1 0.829 43.7-175.9 62.4 40.3 23.8 17.7 181.1 273 273 A K < - 0 0 10 -5,-2.3 2,-2.2 -6,-0.2 5,-0.2 -0.274 37.9-118.3 -65.3 143.8 20.1 18.8 181.2 274 274 A C + 0 0 8 -104,-0.3 -1,-0.1 4,-0.1 2,-0.1 -0.519 58.9 164.4 -75.6 69.9 18.7 20.7 184.1 275 275 A S > - 0 0 5 -2,-2.2 4,-2.4 -7,-0.1 5,-0.2 -0.408 53.9-107.8 -89.2 167.6 16.2 17.7 184.7 276 276 A W H > S+ 0 0 18 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.934 119.1 56.5 -63.1 -45.3 14.2 17.0 187.8 277 277 A L H > S+ 0 0 3 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.961 110.2 43.8 -42.5 -61.8 16.5 14.1 188.7 278 278 A A H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.927 118.1 44.2 -56.6 -44.5 19.6 16.3 188.7 279 279 A V H X S+ 0 0 6 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.909 115.1 46.0 -71.6 -44.8 17.9 19.1 190.7 280 280 A T H < S+ 0 0 21 -4,-3.3 -1,-0.2 -5,-0.2 4,-0.2 0.871 114.7 51.0 -61.2 -38.7 16.2 16.9 193.3 281 281 A F H >X S+ 0 0 0 -4,-2.7 3,-1.9 -5,-0.4 4,-1.9 0.954 109.1 47.6 -64.7 -51.7 19.5 15.0 193.6 282 282 A L H 3< S+ 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302 A P H 3> S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.746 98.7 55.5 -55.0 -31.0 28.6 5.0 179.2 303 303 A A H 3> S+ 0 0 63 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.835 108.2 46.4 -74.2 -33.3 30.6 4.3 182.4 304 304 A K H <> S+ 0 0 59 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.867 111.4 51.9 -74.1 -36.2 30.1 7.9 183.7 305 305 A V H X S+ 0 0 10 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.951 106.9 54.6 -59.3 -49.3 26.4 7.8 182.8 306 306 A A H X S+ 0 0 56 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.848 107.4 50.8 -49.8 -41.8 26.2 4.5 184.9 307 307 A V H X S+ 0 0 29 -4,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.919 109.7 48.0 -66.3 -47.3 27.8 6.4 187.8 308 308 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.954 113.5 49.1 -57.9 -46.2 25.3 9.2 187.6 309 309 A K H X S+ 0 0 81 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.891 109.5 50.8 -62.0 -40.9 22.4 6.6 187.4 310 310 A R H X S+ 0 0 93 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.925 108.1 54.3 -60.0 -42.6 23.8 4.7 190.4 311 311 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.905 107.8 49.8 -56.6 -46.8 23.9 8.0 192.3 312 312 A Y H <>S+ 0 0 2 -4,-2.0 5,-0.9 2,-0.2 -1,-0.2 0.920 111.3 47.5 -55.7 -50.6 20.2 8.6 191.5 313 313 A S H ><5S+ 0 0 81 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.909 113.2 49.4 -60.9 -41.8 19.1 5.1 192.7 314 314 A E H 3<5S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.872 101.0 62.2 -64.5 -41.6 21.1 5.4 195.9 315 315 A A T 3<5S- 0 0 8 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.330 106.3-125.7 -73.1 6.9 19.7 8.9 196.8 316 316 A N T X>5 + 0 0 100 -3,-1.1 3,-1.1 1,-0.1 4,-0.8 0.911 44.0 170.1 52.3 55.8 16.2 7.4 197.0 317 317 A L H 3>< + 0 0 5 -5,-0.9 4,-2.5 1,-0.3 5,-0.1 0.690 64.1 71.1 -76.0 -18.8 14.6 9.8 194.6 318 318 A Q H 3> S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.669 94.8 57.7 -78.7 -6.4 11.3 8.0 194.2 319 319 A A H <> S+ 0 0 47 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.908 107.1 46.6 -76.4 -46.7 10.6 9.2 197.8 320 320 A D H X S+ 0 0 51 -4,-0.8 4,-2.6 1,-0.2 -2,-0.2 0.902 112.9 51.5 -57.5 -38.9 11.1 12.8 196.6 321 321 A F H X S+ 0 0 20 -4,-2.5 4,-3.8 2,-0.2 -1,-0.2 0.931 107.0 51.2 -60.9 -47.2 8.9 12.0 193.6 322 322 A A H X S+ 0 0 50 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.866 113.9 44.8 -61.9 -42.1 6.1 10.5 195.8 323 323 A A H X S+ 0 0 64 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.898 113.3 50.8 -61.2 -47.3 6.1 13.7 198.0 324 324 A Y H X S+ 0 0 40 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.970 115.0 42.9 -59.5 -52.2 6.3 15.9 194.8 325 325 A E H X S+ 0 0 52 -4,-3.8 4,-3.3 2,-0.2 5,-0.2 0.882 110.0 55.3 -56.8 -46.0 3.3 14.0 193.4 326 326 A A H X S+ 0 0 57 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.879 111.7 47.1 -57.4 -41.3 1.3 14.0 196.7 327 327 A E H X S+ 0 0 81 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 111.3 48.5 -65.9 -49.3 1.8 17.7 196.7 328 328 A V H X S+ 0 0 2 -4,-2.4 4,-3.3 1,-0.2 5,-0.3 0.905 107.7 55.8 -57.5 -46.9 0.7 18.2 193.0 329 329 A V H X S+ 0 0 33 -4,-3.3 4,-2.1 2,-0.2 5,-0.2 0.897 108.1 51.0 -47.5 -45.0 -2.4 16.0 193.6 330 330 A R H X S+ 0 0 173 -4,-1.3 4,-1.8 -5,-0.2 -2,-0.2 0.972 114.7 39.9 -60.9 -55.7 -3.3 18.4 196.4 331 331 A E H X S+ 0 0 86 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.876 115.2 51.4 -68.8 -36.6 -3.0 21.6 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