==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-OCT-09 3KE8 . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GROLL,T.GRAEWERT,I.SPAN,W.EISENREICH,A.BACHER . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27648.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 35 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 1 1 2 0 3 1 0 3 1 3 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 8 6 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 4 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 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 59 0, 0.0 287,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.6 2.4 -11.1 -11.0 2 2 A Q E -a 261 0A 86 258,-2.9 260,-2.8 285,-0.2 2,-0.5 -0.775 360.0-150.3 -95.4 135.3 -0.1 -10.5 -8.2 3 3 A I E -ab 262 290A 0 286,-0.5 288,-2.8 -2,-0.4 2,-0.4 -0.921 13.3-171.4-108.7 122.8 -3.9 -10.6 -8.9 4 4 A L E -ab 263 291A 2 258,-2.4 260,-2.4 -2,-0.5 2,-0.5 -0.876 9.5-150.7-113.3 145.0 -6.1 -8.4 -6.8 5 5 A L E -ab 264 292A 13 286,-2.5 288,-2.9 -2,-0.4 260,-0.2 -0.965 16.9-128.0-118.3 129.9 -9.9 -8.5 -6.8 6 6 A A - 0 0 0 258,-2.5 201,-0.1 -2,-0.5 289,-0.1 -0.397 27.1-119.4 -73.8 150.4 -12.0 -5.5 -5.9 7 7 A N S S+ 0 0 44 287,-0.3 289,-0.4 1,-0.2 2,-0.2 -0.961 91.9 27.4-145.3 125.0 -14.8 -5.7 -3.3 8 8 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.552 88.4 145.8 -76.1 168.2 -17.6 -5.2 -3.8 9 9 A R + 0 0 57 -2,-0.2 258,-0.2 2,-0.1 263,-0.1 -0.963 38.5 14.9-157.4 163.0 -17.8 -6.1 -7.5 10 10 A G S S+ 0 0 8 256,-2.3 193,-0.1 -2,-0.3 256,-0.1 -0.184 93.7 36.9 71.2-159.8 -20.2 -7.6 -9.9 11 11 A F - 0 0 68 259,-0.7 2,-0.2 1,-0.1 258,-0.2 0.131 59.0-162.2 -35.3 128.7 -24.0 -8.2 -9.5 12 12 A C > - 0 0 20 256,-1.2 4,-2.1 1,-0.0 5,-0.2 -0.539 36.8 -98.4-104.6 174.1 -26.1 -5.7 -7.7 13 13 A A H > S+ 0 0 8 1,-0.2 4,-1.8 -2,-0.2 289,-0.4 0.865 121.2 50.9 -63.8 -38.6 -29.5 -6.4 -6.2 14 14 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.892 111.1 46.9 -67.7 -41.2 -31.4 -4.8 -9.2 15 15 A V H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.936 111.7 50.2 -66.9 -45.4 -29.5 -6.8 -11.8 16 16 A D H X S+ 0 0 82 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.894 112.9 47.4 -61.3 -39.3 -29.9 -10.1 -10.0 17 17 A R H X S+ 0 0 19 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.937 111.8 49.8 -65.2 -48.9 -33.7 -9.5 -9.7 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.890 110.9 48.1 -59.0 -45.7 -34.1 -8.4 -13.3 19 19 A I H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.920 111.3 51.3 -63.5 -41.6 -32.3 -11.5 -14.7 20 20 A S H X S+ 0 0 28 -4,-1.8 4,-3.1 -5,-0.3 5,-0.3 0.862 104.4 58.8 -63.1 -34.6 -34.3 -13.8 -12.4 21 21 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.927 110.6 40.9 -60.0 -46.2 -37.5 -12.1 -13.7 22 22 A V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.933 115.8 49.9 -69.3 -45.8 -36.7 -13.1 -17.3 23 23 A E H X S+ 0 0 63 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.925 113.2 46.6 -57.8 -47.2 -35.5 -16.6 -16.3 24 24 A N H X S+ 0 0 48 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.878 110.0 52.8 -64.0 -39.2 -38.6 -17.3 -14.3 25 25 A A H X>S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 5,-0.6 0.855 108.5 51.7 -65.2 -34.7 -40.9 -16.0 -17.0 26 26 A L H X5S+ 0 0 14 -4,-2.0 4,-0.8 3,-0.2 -1,-0.2 0.865 112.0 45.5 -69.4 -36.3 -39.3 -18.3 -19.5 27 27 A A H <5S+ 0 0 82 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.851 120.0 40.7 -75.0 -34.6 -39.7 -21.3 -17.1 28 28 A I H <5S+ 0 0 97 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.944 133.6 16.4 -78.7 -53.0 -43.4 -20.4 -16.4 29 29 A Y H <5S- 0 0 108 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.1 0.546 98.8-140.7-100.1 -11.5 -44.7 -19.3 -19.7 30 30 A G << + 0 0 29 -4,-0.8 -1,-0.2 -5,-0.6 -3,-0.1 -0.041 45.3 3.4 74.6 176.0 -42.0 -20.7 -22.0 31 31 A A S S+ 0 0 64 21,-0.1 23,-0.1 -5,-0.1 22,-0.1 -0.497 100.1 46.9 -80.2 151.0 -40.6 -19.1 -25.1 32 32 A P + 0 0 68 0, 0.0 2,-0.5 0, 0.0 36,-0.4 0.515 59.7 169.7 -94.8 153.6 -40.9 -16.6 -26.5 33 33 A I E -e 54 0B 0 20,-1.6 22,-2.8 34,-0.1 2,-0.3 -0.986 25.4-141.3-119.0 121.2 -40.6 -13.9 -23.8 34 34 A Y E -ef 55 69B 38 34,-2.2 36,-1.9 -2,-0.5 2,-0.4 -0.644 16.7-171.2 -85.6 141.3 -40.3 -10.4 -25.0 35 35 A V E -ef 56 70B 0 20,-2.5 22,-2.4 -2,-0.3 2,-1.0 -0.995 23.3-130.9-133.8 125.8 -38.0 -7.9 -23.2 36 36 A R E S-ef 57 71B 29 34,-2.9 36,-1.4 -2,-0.4 22,-0.2 -0.686 79.9 -18.8 -81.0 107.0 -37.9 -4.2 -23.9 37 37 A H S S- 0 0 25 20,-3.0 20,-0.2 -2,-1.0 21,-0.1 0.217 111.9 -43.0 76.4 157.4 -34.2 -3.5 -24.3 38 38 A E - 0 0 48 1,-0.2 36,-0.3 18,-0.1 35,-0.1 -0.324 58.3-130.1 -52.0 129.7 -31.3 -5.7 -23.0 39 39 A V S S- 0 0 0 33,-0.2 34,-1.9 1,-0.1 2,-0.3 0.890 91.3 -2.3 -52.2 -43.2 -32.5 -6.7 -19.5 40 40 A V S S- 0 0 2 2,-0.2 2,-2.0 32,-0.1 6,-0.2 -0.937 90.0 -99.8-141.0 156.7 -29.1 -5.7 -18.2 41 41 A H S S+ 0 0 16 -2,-0.3 181,-0.7 -3,-0.1 2,-0.4 -0.406 80.9 113.7 -83.7 67.1 -26.2 -4.4 -20.3 42 42 A N > - 0 0 0 -2,-2.0 4,-2.8 1,-0.1 5,-0.2 -0.953 53.9-154.5-139.8 119.2 -24.2 -7.5 -20.5 43 43 A R H > S+ 0 0 106 -2,-0.4 4,-3.4 1,-0.2 5,-0.3 0.901 96.6 53.0 -54.3 -48.9 -23.5 -9.5 -23.7 44 44 A Y H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 114.2 42.0 -55.5 -47.9 -23.0 -12.8 -21.9 45 45 A V H > S+ 0 0 10 224,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.946 117.8 45.6 -65.4 -50.4 -26.3 -12.6 -20.1 46 46 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.931 112.3 50.9 -59.6 -48.8 -28.3 -11.3 -23.1 47 47 A D H X S+ 0 0 84 -4,-3.4 4,-1.2 -5,-0.2 -1,-0.2 0.907 112.0 48.6 -55.5 -44.4 -26.8 -13.8 -25.4 48 48 A S H X S+ 0 0 47 -4,-1.9 4,-1.5 -5,-0.3 -1,-0.2 0.885 109.0 51.2 -65.0 -41.8 -27.7 -16.6 -23.0 49 49 A L H X>S+ 0 0 4 -4,-2.3 5,-2.7 1,-0.2 4,-0.8 0.849 103.8 58.0 -66.6 -32.8 -31.3 -15.4 -22.5 50 50 A R H ><5S+ 0 0 122 -4,-2.1 3,-0.7 3,-0.2 -1,-0.2 0.894 103.1 58.2 -60.3 -37.2 -31.7 -15.3 -26.3 51 51 A E H 3<5S+ 0 0 164 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.959 104.4 46.6 -52.9 -60.7 -30.8 -19.0 -26.1 52 52 A R H 3<5S- 0 0 129 -4,-1.5 -1,-0.2 1,-0.1 -2,-0.2 0.562 134.2 -85.4 -63.5 -10.4 -33.7 -19.9 -23.7 53 53 A G T <<5S+ 0 0 14 -4,-0.8 -20,-1.6 -3,-0.7 2,-0.3 0.612 75.7 147.1 116.4 14.1 -36.1 -18.0 -25.9 54 54 A A E < -e 33 0B 0 -5,-2.7 2,-0.5 -22,-0.2 -1,-0.3 -0.666 31.0-156.1 -84.2 137.1 -36.0 -14.3 -24.8 55 55 A I E -e 34 0B 68 -22,-2.8 -20,-2.5 -2,-0.3 2,-0.5 -0.955 6.1-152.2-116.4 115.5 -36.6 -11.8 -27.6 56 56 A F E +e 35 0B 27 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.762 21.6 168.4 -93.2 125.8 -35.1 -8.3 -27.1 57 57 A I E -e 36 0B 8 -22,-2.4 -20,-3.0 -2,-0.5 3,-0.1 -0.864 32.9-150.8-129.9 163.9 -36.8 -5.3 -28.8 58 58 A E S S+ 0 0 87 -2,-0.3 2,-0.4 -22,-0.2 -1,-0.1 0.724 82.4 46.9-104.8 -30.9 -36.6 -1.5 -28.5 59 59 A Q S > S- 0 0 116 1,-0.1 3,-1.2 21,-0.0 4,-0.3 -0.907 73.6-132.7-117.7 144.5 -40.2 -0.6 -29.5 60 60 A I G > S+ 0 0 1 -2,-0.4 3,-1.6 1,-0.3 -1,-0.1 0.725 102.6 74.2 -62.6 -22.6 -43.5 -2.1 -28.4 61 61 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 3,-0.0 -4,-0.0 0.884 87.5 61.2 -57.4 -39.9 -44.5 -2.3 -32.0 62 62 A E G < S+ 0 0 96 -3,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.640 89.7 87.2 -62.8 -16.6 -42.2 -5.2 -32.4 63 63 A V S < S- 0 0 1 -3,-1.6 3,-0.1 -4,-0.3 6,-0.1 -0.776 76.2-134.3 -94.4 124.6 -44.2 -7.2 -29.8 64 64 A P > - 0 0 64 0, 0.0 3,-1.2 0, 0.0 -2,-0.1 -0.308 33.2 -90.6 -71.0 155.9 -47.2 -9.2 -31.0 65 65 A D T 3 S+ 0 0 104 1,-0.2 24,-0.2 24,-0.1 3,-0.1 -0.289 110.9 28.8 -64.9 152.0 -50.6 -9.0 -29.2 66 66 A G T 3 S+ 0 0 48 22,-2.4 -1,-0.2 1,-0.3 23,-0.2 0.497 95.0 129.5 76.1 3.1 -51.2 -11.6 -26.5 67 67 A A < - 0 0 13 -3,-1.2 23,-2.5 21,-0.1 2,-0.5 -0.367 62.5-114.4 -87.2 167.5 -47.4 -11.7 -25.8 68 68 A I E - g 0 90B 27 -36,-0.4 -34,-2.2 21,-0.2 2,-0.4 -0.891 33.3-167.2-102.9 130.7 -45.6 -11.4 -22.4 69 69 A L E -fg 34 91B 0 21,-3.2 23,-2.5 -2,-0.5 2,-0.4 -0.967 8.9-165.3-124.3 137.0 -43.4 -8.3 -22.2 70 70 A I E -fg 35 92B 0 -36,-1.9 -34,-2.9 -2,-0.4 2,-0.3 -0.978 16.6-137.9-121.5 129.9 -40.8 -7.5 -19.6 71 71 A F E -fg 36 93B 1 21,-1.9 23,-1.7 -2,-0.4 -34,-0.1 -0.703 31.8-111.6 -84.3 138.2 -39.3 -4.0 -19.1 72 72 A S > - 0 0 1 -36,-1.4 3,-1.8 -2,-0.3 -33,-0.2 -0.120 28.3-101.4 -65.7 166.1 -35.5 -3.9 -18.6 73 73 A A T 3 S+ 0 0 10 -34,-1.9 23,-2.2 1,-0.3 26,-0.1 0.698 116.5 69.5 -61.2 -20.4 -33.9 -3.0 -15.3 74 74 A H T 3 S- 0 0 22 -36,-0.3 -1,-0.3 -35,-0.3 55,-0.2 0.684 104.3-125.7 -73.0 -20.2 -33.1 0.5 -16.7 75 75 A G < - 0 0 3 -3,-1.8 2,-0.3 54,-0.1 54,-0.2 -0.097 15.7-113.7 96.4 164.3 -36.7 1.5 -16.7 76 76 A V - 0 0 2 53,-0.2 53,-0.1 -5,-0.1 -5,-0.0 -0.936 26.6-100.7-136.6 160.1 -39.1 2.8 -19.4 77 77 A S > - 0 0 21 -2,-0.3 4,-2.5 1,-0.1 56,-0.2 -0.214 33.3-112.2 -73.8 167.2 -41.0 6.1 -20.0 78 78 A Q H > S+ 0 0 64 54,-2.0 4,-3.2 51,-0.2 5,-0.2 0.861 119.6 57.9 -67.9 -33.5 -44.7 6.5 -19.2 79 79 A A H > S+ 0 0 68 53,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.918 109.3 43.1 -61.5 -45.6 -45.3 6.7 -22.9 80 80 A V H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.948 114.9 50.1 -64.5 -48.8 -43.8 3.3 -23.4 81 81 A R H X S+ 0 0 69 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.911 113.9 44.9 -56.3 -45.7 -45.6 1.9 -20.4 82 82 A N H X S+ 0 0 86 -4,-3.2 4,-2.3 2,-0.2 -1,-0.2 0.869 109.7 54.6 -68.2 -37.1 -48.9 3.3 -21.6 83 83 A E H X S+ 0 0 78 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.879 110.7 47.9 -63.0 -36.1 -48.3 2.1 -25.1 84 84 A A H <>S+ 0 0 0 -4,-2.2 5,-0.6 1,-0.2 3,-0.2 0.853 112.3 48.2 -71.9 -35.8 -47.7 -1.4 -23.6 85 85 A K H <5S+ 0 0 175 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.798 104.8 58.9 -75.1 -28.9 -50.9 -1.1 -21.5 86 86 A S H <5S+ 0 0 94 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.735 102.3 71.0 -70.5 -21.8 -53.0 0.0 -24.5 87 87 A R T <5S- 0 0 59 -4,-0.6 2,-1.6 -3,-0.2 -22,-0.0 -0.484 100.1-105.7 -91.6 164.3 -51.9 -3.2 -26.1 88 88 A D T 5S+ 0 0 111 -2,-0.2 -22,-2.4 2,-0.1 2,-0.4 -0.414 73.9 135.4 -86.8 60.0 -53.2 -6.7 -25.2 89 89 A L < - 0 0 19 -2,-1.6 2,-0.7 -5,-0.6 -21,-0.2 -0.875 57.6-131.7-115.2 144.0 -49.8 -7.6 -23.5 90 90 A T E -g 68 0B 60 -23,-2.5 -21,-3.2 -2,-0.4 2,-0.4 -0.831 36.8-156.7 -90.0 117.3 -49.1 -9.3 -20.2 91 91 A V E -g 69 0B 52 -2,-0.7 2,-0.4 -23,-0.2 -21,-0.2 -0.821 22.8-179.3-109.6 139.3 -46.5 -7.0 -18.6 92 92 A F E -g 70 0B 9 -23,-2.5 -21,-1.9 -2,-0.4 2,-0.6 -0.983 21.6-141.5-126.8 137.1 -43.8 -7.6 -15.9 93 93 A D E +g 71 0B 47 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.889 23.3 173.5-108.5 113.0 -41.6 -4.8 -14.8 94 94 A A + 0 0 0 -23,-1.7 -76,-0.2 -2,-0.6 -1,-0.1 0.323 33.6 137.2 -96.0 8.3 -38.0 -5.5 -14.1 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.271 65.0-107.0 -53.1 137.0 -37.1 -1.9 -13.5 96 96 A C >> - 0 0 17 -23,-2.2 4,-2.2 1,-0.1 3,-1.8 -0.462 20.1-125.5 -69.1 140.2 -34.8 -1.7 -10.5 97 97 A P H 3> S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.827 110.6 59.3 -54.3 -33.2 -36.6 -0.2 -7.4 98 98 A L H 34 S+ 0 0 48 2,-0.2 4,-0.5 1,-0.2 -2,-0.0 0.673 107.7 45.3 -71.5 -18.4 -33.8 2.4 -7.1 99 99 A V H X> S+ 0 0 6 -3,-1.8 4,-2.1 2,-0.2 3,-0.7 0.853 109.4 54.9 -86.9 -43.4 -34.6 3.7 -10.6 100 100 A T H 3X S+ 0 0 42 -4,-2.2 4,-2.4 1,-0.3 -2,-0.2 0.865 100.3 62.3 -55.5 -37.9 -38.4 3.6 -9.8 101 101 A K H 3X S+ 0 0 103 -4,-2.0 4,-0.9 1,-0.2 -1,-0.3 0.894 105.9 44.1 -56.3 -42.5 -37.7 5.8 -6.8 102 102 A V H X> S+ 0 0 1 -3,-0.7 4,-1.8 -4,-0.5 3,-0.6 0.911 108.9 58.3 -69.2 -42.2 -36.3 8.6 -9.1 103 103 A H H 3X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.916 101.6 54.9 -51.9 -49.6 -39.2 8.1 -11.5 104 104 A M H 3X S+ 0 0 104 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.825 107.0 50.6 -56.8 -34.7 -41.8 8.8 -8.8 105 105 A E H S+ 0 0 7 -4,-1.9 5,-2.3 1,-0.2 4,-0.3 0.851 112.0 53.3 -64.0 -34.3 -42.8 17.6 -10.2 110 110 A S H ><5S+ 0 0 6 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.918 106.0 51.9 -66.6 -43.9 -44.6 17.0 -13.5 111 111 A R H 3<5S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.754 111.5 48.3 -64.5 -24.3 -48.0 16.9 -11.8 112 112 A R T 3<5S- 0 0 145 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.419 109.3-122.9 -96.2 0.5 -47.2 20.2 -10.1 113 113 A G T < 5 + 0 0 17 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.746 66.3 140.2 64.7 22.2 -46.1 21.8 -13.3 114 114 A E < - 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0 0 13 1,-0.1 -2,-0.2 -28,-0.1 -29,-0.2 -0.538 60.1-121.3 -67.3 129.1 -26.5 7.4 -7.5 197 197 A C > - 0 0 20 -30,-1.7 4,-2.4 -2,-0.3 5,-0.2 -0.203 14.2-107.3 -75.8 165.5 -27.2 4.0 -6.0 198 198 A Y H > S+ 0 0 57 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.887 118.0 55.0 -55.1 -42.5 -25.4 2.1 -3.3 199 199 A A H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 109.9 44.7 -60.5 -44.2 -23.9 -0.4 -5.9 200 200 A T H > S+ 0 0 5 -33,-0.3 4,-2.0 2,-0.2 5,-0.2 0.934 115.6 47.4 -66.6 -47.7 -22.4 2.3 -8.1 201 201 A T H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.929 114.7 46.8 -59.6 -46.2 -21.0 4.2 -5.1 202 202 A N H X S+ 0 0 20 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.887 111.9 48.8 -65.7 -41.4 -19.6 1.0 -3.6 203 203 A R H X S+ 0 0 2 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.856 112.5 48.6 -69.2 -32.5 -18.0 -0.3 -6.8 204 204 A Q H X S+ 0 0 3 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.910 111.7 48.8 -72.6 -39.7 -16.4 3.1 -7.5 205 205 A E H X S+ 0 0 76 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.908 113.5 49.0 -63.2 -40.7 -15.0 3.2 -4.0 206 206 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.854 109.5 49.1 -68.3 -38.0 -13.7 -0.3 -4.4 207 207 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.813 107.0 57.7 -73.2 -27.2 -12.0 0.3 -7.8 208 208 A R H X S+ 0 0 82 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.930 109.6 43.9 -65.4 -44.2 -10.4 3.4 -6.3 209 209 A A H < S+ 0 0 39 -4,-1.7 -2,-0.2 1,-0.2 4,-0.2 0.883 114.1 51.2 -67.1 -38.2 -8.8 1.2 -3.6 210 210 A L H >X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 3,-1.5 0.918 107.7 52.3 -64.9 -44.6 -7.9 -1.4 -6.2 211 211 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.757 97.4 64.9 -65.2 -27.2 -6.2 1.2 -8.5 212 212 A E T 3< S+ 0 0 137 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.572 116.9 30.0 -74.2 -4.9 -4.0 2.5 -5.7 213 213 A Q T <4 S+ 0 0 98 -3,-1.5 -2,-0.2 -4,-0.2 2,-0.2 0.693 110.0 70.0-117.4 -40.9 -2.4 -0.9 -5.6 214 214 A A < - 0 0 0 -4,-2.7 48,-0.2 1,-0.1 3,-0.1 -0.560 57.1-156.0 -87.1 147.8 -2.6 -2.3 -9.2 215 215 A E S S+ 0 0 76 46,-2.7 26,-1.4 1,-0.2 2,-0.4 0.786 89.2 30.9 -86.0 -33.8 -0.7 -0.9 -12.2 216 216 A V E S-cd 241 262A 4 45,-1.2 47,-3.3 24,-0.2 2,-0.4 -0.975 71.5-159.7-128.4 140.8 -3.4 -2.3 -14.5 217 217 A V E -cd 242 263A 0 24,-2.6 26,-2.4 -2,-0.4 2,-0.5 -0.981 1.8-160.5-124.3 129.9 -7.1 -2.7 -13.9 218 218 A L E -cd 243 264A 0 45,-2.7 47,-2.4 -2,-0.4 2,-0.6 -0.942 7.1-162.3-109.2 122.9 -9.4 -5.0 -15.9 219 219 A V E -cd 244 265A 0 24,-3.2 26,-2.7 -2,-0.5 2,-0.6 -0.917 11.3-144.7-108.3 114.1 -13.1 -4.1 -15.6 220 220 A V E +cd 245 266A 0 45,-2.7 47,-2.8 -2,-0.6 2,-0.3 -0.667 54.3 102.9 -78.5 117.6 -15.4 -6.9 -16.6 221 221 A G - 0 0 0 24,-2.6 -179,-0.1 -2,-0.6 2,-0.1 -0.881 68.1 -90.2 175.0 155.8 -18.4 -5.4 -18.3 222 222 A S > - 0 0 4 -181,-0.7 3,-1.8 -2,-0.3 7,-0.2 -0.392 37.5-111.2 -80.9 158.2 -20.0 -4.7 -21.7 223 223 A K T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.804 116.5 50.1 -55.1 -35.9 -19.3 -1.6 -23.8 224 224 A N T 3 S+ 0 0 71 -183,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.305 81.7 111.3 -90.5 9.3 -22.9 -0.2 -23.3 225 225 A S <> - 0 0 2 -3,-1.8 4,-2.1 1,-0.2 5,-0.2 -0.762 50.9-164.8 -88.1 111.3 -22.8 -0.6 -19.6 226 226 A S H > S+ 0 0 10 -2,-0.8 4,-1.8 1,-0.2 -1,-0.2 0.958 87.7 45.3 -59.0 -55.5 -22.8 2.9 -18.1 227 227 A N H > S+ 0 0 17 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.858 111.5 54.3 -60.8 -35.1 -21.7 1.9 -14.6 228 228 A S H >> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.6 0.918 105.9 51.9 -64.6 -43.3 -19.0 -0.4 -16.0 229 229 A N H 3X S+ 0 0 56 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.875 104.0 58.0 -60.5 -39.1 -17.5 2.4 -18.0 230 230 A R H 3X S+ 0 0 35 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.827 102.9 54.5 -62.7 -29.7 -17.3 4.6 -14.9 231 231 A L H S+ 0 0 0 -4,-1.8 5,-1.9 1,-0.2 3,-0.4 0.894 111.7 52.4 -63.6 -40.1 -8.9 3.9 -12.7 236 236 A Q H ><5S+ 0 0 101 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.886 105.0 54.1 -63.2 -40.6 -7.7 5.6 -15.8 237 237 A R H 3<5S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.757 101.4 60.7 -66.0 -23.7 -8.0 9.0 -14.2 238 238 A M T 3<5S- 0 0 74 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.409 126.1-103.7 -83.0 2.4 -5.8 7.7 -11.4 239 239 A G T < 5S+ 0 0 65 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.550 81.3 124.7 89.6 8.8 -3.1 7.1 -14.0 240 240 A K < - 0 0 57 -5,-1.9 2,-0.4 -24,-0.0 -1,-0.3 -0.732 68.5-109.0-101.7 150.5 -3.5 3.4 -14.3 241 241 A R E -c 216 0A 108 -26,-1.4 -24,-2.6 -2,-0.3 2,-0.4 -0.648 44.9-177.1 -74.7 128.9 -4.0 1.5 -17.6 242 242 A A E -c 217 0A 7 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.996 11.1-165.8-133.5 136.7 -7.6 0.2 -17.4 243 243 A F E -c 218 0A 38 -26,-2.4 -24,-3.2 -2,-0.4 2,-0.6 -0.983 15.0-144.5-127.7 134.2 -9.5 -1.9 -19.9 244 244 A L E +c 219 0A 23 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.844 34.2 174.7 -92.3 119.5 -13.2 -2.6 -20.2 245 245 A I E -c 220 0A 1 -26,-2.7 -24,-2.6 -2,-0.6 3,-0.1 -0.966 38.5-150.4-134.0 149.0 -13.6 -6.2 -21.3 246 246 A D S S- 0 0 15 -2,-0.3 2,-0.3 1,-0.2 -202,-0.1 0.785 79.9 -19.8 -82.4 -30.8 -16.5 -8.7 -21.9 247 247 A D S > S- 0 0 38 -26,-0.1 3,-1.9 30,-0.1 4,-0.3 -0.970 78.3 -75.6-165.4 177.1 -14.4 -11.8 -21.2 248 248 A A G > S+ 0 0 17 -2,-0.3 3,-1.6 1,-0.3 -1,-0.0 0.777 116.4 69.1 -54.5 -32.1 -11.0 -13.4 -20.8 249 249 A K G 3 S+ 0 0 184 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.724 90.4 62.1 -61.7 -23.8 -10.6 -13.6 -24.6 250 250 A D G < S+ 0 0 56 -3,-1.9 2,-0.4 2,-0.1 -1,-0.3 0.600 77.0 110.7 -79.5 -11.6 -10.3 -9.8 -24.8 251 251 A I < - 0 0 11 -3,-1.6 2,-0.5 -4,-0.3 3,-0.0 -0.503 56.0-155.8 -69.5 122.5 -7.1 -9.8 -22.7 252 252 A Q >> - 0 0 118 -2,-0.4 3,-2.3 1,-0.1 4,-0.5 -0.886 17.2-132.4-101.6 125.5 -4.1 -8.8 -24.8 253 253 A E H >> S+ 0 0 144 -2,-0.5 3,-1.6 1,-0.3 4,-1.1 0.822 102.4 64.8 -40.8 -46.9 -0.8 -10.0 -23.4 254 254 A E H 34 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.788 91.2 66.4 -52.5 -30.7 0.9 -6.6 -23.7 255 255 A W H <4 S+ 0 0 26 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.834 116.8 22.5 -61.9 -34.7 -1.5 -5.2 -21.2 256 256 A V H X< S+ 0 0 8 -3,-1.6 3,-2.0 -4,-0.5 -1,-0.2 0.346 85.7 131.9-117.0 6.3 -0.0 -7.3 -18.3 257 257 A K T 3< S- 0 0 107 -4,-1.1 3,-0.1 1,-0.3 29,-0.1 -0.388 88.7 -3.2 -62.7 131.1 3.5 -8.2 -19.5 258 258 A E T 3 S+ 0 0 182 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.660 97.2 145.8 60.8 16.4 6.0 -7.5 -16.8 259 259 A V < - 0 0 17 -3,-2.0 -1,-0.2 1,-0.1 3,-0.2 -0.755 36.5-164.2 -88.1 125.0 3.2 -6.1 -14.6 260 260 A K S S+ 0 0 166 -2,-0.5 -258,-2.9 1,-0.2 2,-0.4 0.753 76.5 28.5 -80.0 -25.7 3.7 -6.9 -10.9 261 261 A C E +a 2 0A 13 -260,-0.2 -46,-2.7 26,-0.0 -45,-1.2 -0.901 63.6 179.2-144.1 113.6 0.2 -6.1 -9.8 262 262 A V E -ad 3 216A 0 -260,-2.8 -258,-2.4 -2,-0.4 2,-0.3 -0.921 13.9-153.3-113.5 135.4 -3.0 -6.5 -11.9 263 263 A G E -ad 4 217A 0 -47,-3.3 -45,-2.7 -2,-0.4 2,-0.4 -0.824 5.7-162.5-109.3 149.0 -6.4 -5.7 -10.5 264 264 A V E +ad 5 218A 0 -260,-2.4 -258,-2.5 -2,-0.3 2,-0.3 -0.992 17.2 154.3-132.1 136.4 -9.8 -7.1 -11.5 265 265 A T E - 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