==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-JUL-11 3SZU . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.SPAN,T.GRAEWERT,A.BACHER,W.EISENREICH,M.GROLL . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27727.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 68.7 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 . 30 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 1 0 2 2 0 4 0 0 2 2 2 0 4 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 51 0, 0.0 287,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 131.5 2.4 -11.2 -11.0 2 2 A Q E -a 261 0A 84 258,-3.1 260,-3.0 285,-0.2 2,-0.5 -0.671 360.0-152.1 -81.3 138.3 0.0 -10.6 -8.1 3 3 A I E -ab 262 290A 0 286,-0.6 288,-2.7 -2,-0.3 2,-0.4 -0.949 13.3-171.7-110.5 122.9 -3.7 -10.7 -8.9 4 4 A L E -ab 263 291A 2 258,-2.9 260,-2.6 -2,-0.5 2,-0.4 -0.917 9.9-151.1-112.5 143.4 -5.9 -8.5 -6.7 5 5 A L E -ab 264 292A 9 286,-2.4 288,-2.8 -2,-0.4 260,-0.2 -0.946 17.6-127.9-113.1 129.6 -9.8 -8.6 -6.7 6 6 A A - 0 0 0 258,-2.4 201,-0.1 -2,-0.4 289,-0.1 -0.348 27.7-118.9 -66.4 153.9 -11.8 -5.4 -5.8 7 7 A N S S+ 0 0 53 287,-0.3 289,-0.5 1,-0.2 2,-0.1 -0.941 95.2 30.1-147.2 118.0 -14.5 -5.8 -3.1 8 8 A P S S+ 0 0 7 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.522 87.2 145.0 -80.7 163.8 -17.3 -5.2 -3.7 9 9 A R + 0 0 64 -2,-0.1 258,-0.2 2,-0.1 263,-0.1 -0.958 40.9 13.8-147.7 161.8 -17.4 -6.2 -7.4 10 10 A G S S+ 0 0 7 256,-2.6 193,-0.1 -2,-0.3 256,-0.1 -0.241 93.1 36.2 72.5-155.4 -20.0 -7.7 -9.7 11 11 A F - 0 0 68 259,-0.5 258,-0.2 258,-0.1 2,-0.2 0.030 56.8-162.3 -53.7 137.3 -23.7 -8.3 -9.3 12 12 A C > - 0 0 19 256,-1.3 4,-2.1 1,-0.0 5,-0.2 -0.511 36.5 -99.5 -98.2 176.4 -25.8 -5.8 -7.4 13 13 A A H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 289,-0.4 0.872 120.0 53.5 -68.3 -36.6 -29.3 -6.5 -6.0 14 14 A G H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 110.9 44.9 -64.0 -44.3 -31.1 -4.9 -8.9 15 15 A V H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.905 110.9 52.7 -67.0 -45.2 -29.3 -7.0 -11.5 16 16 A D H X S+ 0 0 83 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.958 113.5 45.4 -59.0 -44.2 -29.7 -10.3 -9.6 17 17 A R H X S+ 0 0 15 -4,-2.0 4,-2.1 -5,-0.2 -1,-0.2 0.925 111.3 51.7 -65.3 -44.0 -33.5 -9.6 -9.4 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.897 110.8 46.9 -62.0 -43.3 -33.9 -8.6 -13.0 19 19 A I H X S+ 0 0 13 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.924 111.7 51.5 -65.8 -40.7 -32.2 -11.7 -14.3 20 20 A S H X S+ 0 0 32 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.864 104.0 57.9 -65.3 -31.7 -34.3 -13.9 -12.0 21 21 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.937 111.6 41.5 -61.9 -44.9 -37.5 -12.2 -13.2 22 22 A V H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.918 116.8 47.7 -69.3 -43.7 -36.6 -13.3 -16.8 23 23 A E H X S+ 0 0 96 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.913 113.9 47.3 -60.6 -48.2 -35.4 -16.8 -15.8 24 24 A N H X S+ 0 0 44 -4,-2.8 4,-2.1 -5,-0.2 5,-0.2 0.846 110.9 51.4 -66.1 -32.2 -38.5 -17.3 -13.7 25 25 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 5,-0.5 0.902 110.5 48.9 -68.4 -44.3 -40.8 -16.1 -16.4 26 26 A L H X S+ 0 0 25 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.905 114.1 47.5 -59.8 -39.6 -39.2 -18.5 -18.9 27 27 A A H < S+ 0 0 82 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.875 118.7 38.3 -67.4 -37.3 -39.6 -21.3 -16.3 28 28 A I H < S+ 0 0 84 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.921 134.7 19.3 -83.5 -41.8 -43.3 -20.6 -15.5 29 29 A Y H < S- 0 0 124 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.578 97.1-133.9-107.3 -12.4 -44.4 -19.7 -19.1 30 30 A G < - 0 0 32 -4,-1.8 -1,-0.1 -5,-0.5 -3,-0.1 0.018 47.7 -8.1 72.6 168.0 -41.9 -21.2 -21.5 31 31 A A S S+ 0 0 67 21,-0.1 2,-0.1 -4,-0.1 23,-0.1 -0.502 99.1 53.9 -69.5 150.5 -40.3 -19.5 -24.4 32 32 A P + 0 0 68 0, 0.0 2,-0.4 0, 0.0 36,-0.3 0.533 56.1 164.5 -92.6 158.7 -40.6 -17.1 -25.8 33 33 A I E -e 54 0B 0 20,-1.4 22,-2.7 -2,-0.1 2,-0.3 -1.000 28.4-141.0-122.5 125.9 -40.5 -14.2 -23.3 34 34 A Y E -ef 55 69B 33 34,-2.5 36,-2.4 -2,-0.4 2,-0.4 -0.687 14.7-166.4 -91.2 142.1 -40.0 -10.8 -24.7 35 35 A V E -ef 56 70B 0 20,-2.8 22,-2.5 -2,-0.3 2,-0.8 -0.996 18.9-133.9-128.4 125.8 -37.7 -8.3 -23.0 36 36 A R E S-ef 57 71B 23 34,-3.1 36,-1.5 -2,-0.4 22,-0.2 -0.780 78.9 -16.1 -84.2 114.8 -37.6 -4.6 -23.8 37 37 A H S S- 0 0 25 20,-3.4 20,-0.2 -2,-0.8 21,-0.1 0.312 112.5 -44.8 73.4 161.1 -34.0 -3.7 -24.0 38 38 A E - 0 0 44 1,-0.2 36,-0.3 18,-0.1 35,-0.1 -0.326 58.4-129.2 -49.3 127.5 -31.1 -5.8 -22.8 39 39 A V S S- 0 0 0 33,-0.2 34,-2.2 1,-0.1 2,-0.3 0.869 91.3 -4.7 -55.8 -43.6 -32.4 -6.9 -19.3 40 40 A V S S- 0 0 2 2,-0.2 2,-2.2 32,-0.1 6,-0.2 -0.917 90.7 -97.0-138.8 158.2 -29.0 -5.7 -17.9 41 41 A H S S+ 0 0 9 -2,-0.3 181,-0.8 -3,-0.1 2,-0.4 -0.453 82.9 112.8 -82.7 73.5 -26.1 -4.4 -20.0 42 42 A N > - 0 0 0 -2,-2.2 4,-2.7 1,-0.1 5,-0.2 -0.948 54.5-154.0-145.4 115.7 -24.1 -7.6 -20.1 43 43 A R H > S+ 0 0 99 -2,-0.4 4,-3.4 1,-0.2 5,-0.2 0.881 97.1 49.8 -58.5 -42.9 -23.5 -9.5 -23.4 44 44 A Y H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 111.9 46.8 -65.7 -42.5 -23.0 -12.8 -21.7 45 45 A V H > S+ 0 0 8 224,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.950 118.0 44.0 -61.7 -44.0 -26.2 -12.5 -19.6 46 46 A V H X S+ 0 0 1 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.889 114.9 46.2 -64.5 -44.6 -28.2 -11.4 -22.7 47 47 A D H X S+ 0 0 79 -4,-3.4 4,-2.7 2,-0.2 -1,-0.2 0.901 113.0 52.5 -69.1 -38.4 -26.7 -14.0 -25.1 48 48 A S H X S+ 0 0 42 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.916 112.9 42.4 -54.7 -53.8 -27.4 -16.6 -22.3 49 49 A L H <>S+ 0 0 10 -4,-2.3 5,-2.4 2,-0.2 -2,-0.2 0.872 112.4 56.1 -68.6 -39.5 -31.0 -15.6 -21.9 50 50 A R H ><5S+ 0 0 113 -4,-2.9 3,-2.3 1,-0.2 -2,-0.2 0.945 105.2 50.9 -52.7 -47.3 -31.3 -15.4 -25.8 51 51 A E H 3<5S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 108.8 54.2 -65.2 -31.3 -30.1 -19.0 -26.2 52 52 A R T 3<5S- 0 0 165 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.365 130.0 -90.3 -80.5 4.5 -32.8 -19.9 -23.7 53 53 A G T < 5S+ 0 0 20 -3,-2.3 -20,-1.4 1,-0.4 2,-0.3 0.468 79.4 134.8 102.2 2.8 -35.6 -18.2 -25.6 54 54 A A E < -e 33 0B 1 -5,-2.4 2,-0.5 -22,-0.2 -1,-0.4 -0.676 42.6-150.8 -72.9 141.6 -35.8 -14.6 -24.3 55 55 A I E -e 34 0B 65 -22,-2.7 -20,-2.8 -2,-0.3 2,-0.6 -0.962 4.6-150.1-117.5 119.3 -36.2 -12.3 -27.3 56 56 A F E +e 35 0B 27 -2,-0.5 2,-0.2 -22,-0.2 -20,-0.2 -0.801 24.6 166.6 -92.1 123.1 -34.7 -8.8 -26.7 57 57 A I E -e 36 0B 9 -22,-2.5 -20,-3.4 -2,-0.6 3,-0.1 -0.744 33.4-145.3-125.0 169.2 -36.4 -6.0 -28.6 58 58 A E S S+ 0 0 90 -2,-0.2 2,-0.3 -22,-0.2 -1,-0.1 0.718 80.3 44.1-106.3 -25.6 -36.3 -2.2 -28.4 59 59 A Q S > S- 0 0 114 1,-0.1 3,-2.3 -23,-0.0 -1,-0.2 -0.918 73.3-129.3-127.1 144.8 -39.9 -1.1 -29.2 60 60 A I G > S+ 0 0 1 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.808 107.0 69.7 -62.8 -24.0 -43.2 -2.5 -28.0 61 61 A S G 3 S+ 0 0 77 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.571 90.2 62.7 -71.5 -10.4 -44.3 -2.7 -31.7 62 62 A E G < S+ 0 0 99 -3,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.397 89.4 87.6 -84.0 -3.7 -41.7 -5.5 -32.1 63 63 A V S < S- 0 0 3 -3,-2.0 3,-0.1 -4,-0.1 6,-0.1 -0.866 78.9-127.1-104.7 124.2 -43.8 -7.6 -29.6 64 64 A P > - 0 0 59 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.295 33.8 -90.8 -64.8 155.6 -46.7 -9.8 -30.8 65 65 A D T 3 S+ 0 0 130 1,-0.2 24,-0.1 24,-0.1 23,-0.1 -0.329 113.7 26.3 -57.4 147.3 -50.2 -9.6 -29.4 66 66 A G T 3 S+ 0 0 66 22,-0.5 -1,-0.2 21,-0.4 23,-0.1 0.385 93.8 137.4 81.5 -2.0 -50.7 -12.1 -26.5 67 67 A A < - 0 0 14 -3,-1.6 23,-2.4 1,-0.1 2,-0.5 -0.202 59.2-120.6 -81.3 160.2 -47.0 -12.0 -25.6 68 68 A I E - g 0 90B 24 -36,-0.3 -34,-2.5 21,-0.2 2,-0.4 -0.913 35.5-167.7 -90.9 130.3 -45.3 -11.9 -22.1 69 69 A L E -fg 34 91B 0 21,-3.0 23,-2.3 -2,-0.5 2,-0.5 -0.984 9.7-162.0-126.2 133.5 -43.1 -8.6 -22.0 70 70 A I E -fg 35 92B 0 -36,-2.4 -34,-3.1 -2,-0.4 2,-0.4 -0.946 16.1-136.4-115.3 127.0 -40.5 -7.8 -19.3 71 71 A F E -fg 36 93B 1 21,-2.2 23,-1.8 -2,-0.5 -34,-0.1 -0.738 33.2-109.1 -77.6 141.8 -39.2 -4.2 -18.9 72 72 A S > - 0 0 1 -36,-1.5 3,-1.8 -2,-0.4 -33,-0.2 -0.112 27.2-102.8 -70.3 170.0 -35.5 -4.1 -18.4 73 73 A A T 3 S+ 0 0 10 -34,-2.2 23,-2.5 1,-0.3 26,-0.2 0.715 116.0 69.6 -61.2 -28.5 -33.8 -3.2 -15.1 74 74 A H T 3 S- 0 0 21 -35,-0.3 -1,-0.3 -36,-0.3 55,-0.2 0.630 105.0-126.3 -65.3 -25.8 -33.0 0.4 -16.5 75 75 A G < - 0 0 3 -3,-1.8 2,-0.3 54,-0.1 54,-0.2 -0.014 17.3-106.9 102.0 168.7 -36.7 1.3 -16.4 76 76 A V - 0 0 3 53,-0.2 2,-0.1 52,-0.1 53,-0.1 -0.920 23.7-105.8-135.4 157.1 -39.2 2.6 -18.9 77 77 A S > - 0 0 10 -2,-0.3 4,-2.4 1,-0.1 56,-0.2 -0.325 33.5-112.2 -71.7 160.8 -41.0 5.8 -19.7 78 78 A Q H > S+ 0 0 75 54,-2.3 4,-2.9 51,-0.3 5,-0.2 0.888 119.6 57.8 -58.2 -36.1 -44.6 6.3 -19.0 79 79 A A H > S+ 0 0 69 53,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.883 108.4 45.5 -67.5 -37.2 -45.2 6.4 -22.8 80 80 A V H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 113.9 48.6 -68.8 -44.2 -43.7 2.9 -23.1 81 81 A R H X S+ 0 0 63 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.877 113.6 47.2 -64.7 -39.1 -45.6 1.5 -20.1 82 82 A N H X S+ 0 0 85 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.854 109.6 53.9 -68.1 -37.7 -48.9 3.0 -21.5 83 83 A E H X S+ 0 0 79 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.955 111.3 44.9 -62.8 -46.6 -48.1 1.6 -25.0 84 84 A A H <>S+ 0 0 0 -4,-2.6 5,-1.4 1,-0.2 4,-0.5 0.884 112.5 52.5 -63.7 -38.6 -47.7 -1.9 -23.4 85 85 A K H ><5S+ 0 0 163 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.864 108.4 50.2 -62.9 -38.9 -50.9 -1.4 -21.4 86 86 A S H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.668 107.9 54.4 -75.3 -16.0 -52.9 -0.4 -24.5 87 87 A R T 3<5S- 0 0 63 -4,-0.9 -21,-0.4 -3,-0.3 -1,-0.2 0.566 104.8-130.1 -93.5 -8.5 -51.6 -3.6 -26.3 88 88 A D T < 5 + 0 0 142 -3,-0.8 -22,-0.5 -4,-0.5 -3,-0.2 0.983 48.2 159.7 54.6 53.4 -52.8 -5.9 -23.5 89 89 A L < - 0 0 17 -5,-1.4 2,-0.6 -24,-0.1 -21,-0.2 -0.489 51.4-108.5 -82.4 173.7 -49.5 -7.7 -23.2 90 90 A T E -g 68 0B 68 -23,-2.4 -21,-3.0 -2,-0.2 2,-0.5 -0.977 48.6-162.5 -97.8 122.0 -48.8 -9.6 -19.9 91 91 A V E -g 69 0B 51 -2,-0.6 2,-0.4 -23,-0.2 -21,-0.2 -0.940 23.5-177.1-115.0 137.1 -46.2 -7.3 -18.4 92 92 A F E -g 70 0B 22 -23,-2.3 -21,-2.2 -2,-0.5 2,-0.7 -0.942 22.4-140.4-119.6 143.2 -43.6 -7.9 -15.6 93 93 A D E +g 71 0B 43 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.870 21.9 177.9-113.4 107.9 -41.4 -5.0 -14.7 94 94 A A + 0 0 0 -23,-1.8 -1,-0.1 -2,-0.7 -76,-0.1 0.331 33.3 141.5 -85.4 7.0 -37.8 -5.8 -13.9 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.175 62.0-108.2 -51.6 131.1 -37.0 -2.1 -13.2 96 96 A C >> - 0 0 19 -23,-2.5 4,-2.7 1,-0.2 3,-1.5 -0.398 22.0-126.0 -58.8 134.2 -34.5 -1.8 -10.3 97 97 A P H 3> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.807 110.2 59.2 -48.7 -32.3 -36.3 -0.5 -7.2 98 98 A L H 3> S+ 0 0 48 2,-0.2 4,-0.6 1,-0.2 -2,-0.1 0.678 106.9 46.2 -77.7 -14.0 -33.7 2.2 -6.9 99 99 A V H X> S+ 0 0 4 -3,-1.5 4,-2.4 2,-0.2 3,-0.5 0.872 109.6 54.8 -81.9 -42.2 -34.5 3.5 -10.4 100 100 A T H 3X S+ 0 0 46 -4,-2.7 4,-2.2 1,-0.3 -2,-0.2 0.845 101.5 59.2 -56.8 -40.7 -38.2 3.3 -9.5 101 101 A K H 3X S+ 0 0 89 -4,-1.9 4,-1.5 1,-0.2 -1,-0.3 0.900 107.6 45.3 -54.7 -49.8 -37.5 5.5 -6.5 102 102 A V H S+ 0 0 8 -4,-2.2 5,-2.3 1,-0.2 4,-0.6 0.924 111.3 52.4 -65.1 -39.1 -42.5 17.1 -9.5 110 110 A S H ><5S+ 0 0 3 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.914 107.1 52.1 -59.8 -45.7 -44.6 16.7 -12.8 111 111 A R H 3<5S+ 0 0 175 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.865 110.5 48.2 -59.1 -38.5 -47.8 16.5 -10.9 112 112 A R H 3<5S- 0 0 163 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.576 109.2-126.5 -76.6 -8.7 -46.9 19.8 -9.1 113 113 A G T <<5 + 0 0 25 -3,-1.3 2,-0.4 -4,-0.6 -3,-0.2 0.834 63.6 141.9 60.7 29.8 -46.0 21.4 -12.5 114 114 A E < - 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0 0 4 -4,-2.9 3,-2.2 -5,-0.2 -1,-0.2 -0.776 68.8-179.8-133.8 81.3 -29.9 27.9 -9.0 186 186 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.741 80.4 54.5 -68.4 -16.4 -29.5 28.5 -5.2 187 187 A K T 3 S+ 0 0 130 -29,-0.3 -26,-0.4 2,-0.1 -5,-0.1 0.302 79.5 128.5 -92.6 1.5 -33.1 27.5 -4.4 188 188 A I < - 0 0 6 -3,-2.2 2,-0.4 -7,-0.2 -26,-0.2 -0.359 45.2-151.9 -58.8 139.7 -32.8 24.1 -6.1 189 189 A V B +j 162 0C 76 -28,-2.5 -26,-2.1 310,-0.0 -2,-0.1 -0.907 28.5 137.8-115.8 149.0 -33.9 21.1 -4.1 190 190 A G - 0 0 5 -2,-0.4 310,-0.2 -28,-0.2 -26,-0.1 -0.867 55.6 -55.8-163.5-172.8 -32.7 17.6 -4.4 191 191 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.230 65.7 -91.0 -70.2 175.3 -31.7 14.6 -2.2 192 192 A R S S- 0 0 56 2,-0.1 -2,-0.0 1,-0.1 307,-0.0 0.873 110.0 -12.2 -56.7 -39.0 -28.8 15.1 0.4 193 193 A K S S- 0 0 114 1,-0.4 2,-0.3 3,-0.1 -15,-0.1 0.653 114.1 -59.1-130.3 -68.4 -26.0 14.0 -2.1 194 194 A D - 0 0 24 2,-0.1 -1,-0.4 -4,-0.1 -2,-0.1 -0.934 42.2 -98.6-169.6-177.4 -27.4 12.3 -5.3 195 195 A D S S+ 0 0 14 -2,-0.3 2,-0.2 -29,-0.3 -93,-0.1 0.161 70.2 136.8-106.3 18.3 -29.5 9.3 -6.5 196 196 A I - 0 0 14 1,-0.1 -29,-0.2 -28,-0.1 -28,-0.2 -0.442 57.9-118.5 -63.7 131.3 -26.3 7.3 -7.3 197 197 A C > - 0 0 20 -30,-1.7 4,-2.5 -2,-0.2 5,-0.3 -0.241 14.2-109.4 -76.8 165.4 -27.1 3.8 -6.0 198 198 A Y H > S+ 0 0 45 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.856 117.7 54.3 -56.3 -40.0 -25.2 2.0 -3.2 199 199 A A H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 110.2 45.1 -66.5 -39.3 -23.8 -0.5 -5.7 200 200 A T H > S+ 0 0 4 -33,-0.2 4,-2.2 1,-0.2 5,-0.2 0.949 115.3 47.0 -69.9 -47.8 -22.3 2.3 -7.9 201 201 A T H X S+ 0 0 50 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.948 115.1 46.9 -58.1 -47.3 -20.9 4.2 -5.0 202 202 A N H X S+ 0 0 17 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.887 110.6 50.1 -69.6 -38.1 -19.4 1.1 -3.4 203 203 A R H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.894 111.9 49.1 -68.0 -33.5 -17.8 -0.3 -6.6 204 204 A Q H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.920 110.8 49.3 -69.9 -44.4 -16.2 3.1 -7.3 205 205 A E H X S+ 0 0 76 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.937 114.1 48.0 -57.5 -42.8 -14.8 3.2 -3.7 206 206 A A H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.888 109.4 50.5 -68.3 -37.0 -13.5 -0.4 -4.2 207 207 A V H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.858 107.4 55.3 -72.4 -30.4 -11.9 0.3 -7.6 208 208 A R H X S+ 0 0 89 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.948 110.6 44.6 -61.6 -44.9 -10.1 3.4 -6.0 209 209 A A H X S+ 0 0 40 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.915 114.9 49.7 -66.4 -43.5 -8.7 1.1 -3.3 210 210 A L H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 3,-1.5 0.946 108.8 51.7 -57.7 -45.5 -7.8 -1.5 -6.0 211 211 A A H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.746 99.2 63.8 -72.8 -15.7 -6.1 1.1 -8.3 212 212 A E H 3< S+ 0 0 136 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.718 116.2 30.2 -80.7 -14.5 -3.9 2.3 -5.4 213 213 A Q H << S+ 0 0 99 -3,-1.5 2,-0.3 -4,-0.6 -2,-0.2 0.724 111.1 72.5-103.7 -33.7 -2.3 -1.2 -5.3 214 214 A A < - 0 0 1 -4,-2.7 48,-0.2 -5,-0.2 3,-0.1 -0.558 57.7-156.2 -94.5 146.1 -2.5 -2.3 -8.9 215 215 A E S S+ 0 0 82 46,-2.5 26,-1.0 1,-0.3 2,-0.4 0.836 88.3 24.6 -79.1 -37.4 -0.6 -1.2 -11.9 216 216 A V E S-cd 241 262A 6 45,-1.0 47,-3.3 24,-0.2 2,-0.5 -0.974 72.6-155.2-134.2 140.4 -3.2 -2.3 -14.4 217 217 A V E -cd 242 263A 0 24,-2.5 26,-2.2 -2,-0.4 2,-0.5 -0.977 0.9-160.9-122.3 126.1 -7.0 -2.7 -13.8 218 218 A L E -cd 243 264A 0 45,-2.9 47,-2.6 -2,-0.5 2,-0.6 -0.943 6.2-161.9-102.1 129.1 -9.3 -4.9 -15.7 219 219 A V E -cd 244 265A 0 24,-3.1 26,-2.7 -2,-0.5 2,-0.6 -0.940 11.0-145.0-110.5 115.3 -13.0 -4.2 -15.5 220 220 A V E +cd 245 266A 0 45,-2.6 47,-2.6 -2,-0.6 2,-0.3 -0.725 54.6 98.8 -77.9 119.3 -15.3 -7.0 -16.5 221 221 A G - 0 0 0 24,-2.5 -179,-0.1 -2,-0.6 2,-0.1 -0.860 69.4 -83.8 171.5 165.0 -18.4 -5.5 -18.1 222 222 A S > - 0 0 4 -181,-0.8 3,-2.0 -2,-0.3 7,-0.2 -0.381 37.5-111.9 -87.8 161.5 -19.9 -4.6 -21.4 223 223 A K T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -2,-0.1 -181,-0.1 0.740 115.8 49.1 -66.2 -26.2 -19.3 -1.6 -23.5 224 224 A N T 3 S+ 0 0 71 -183,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.197 82.0 109.6 -99.3 10.2 -22.7 -0.1 -23.0 225 225 A S <> - 0 0 2 -3,-2.0 4,-2.4 1,-0.2 5,-0.2 -0.810 51.6-163.9 -84.1 113.1 -22.7 -0.6 -19.2 226 226 A S H > S+ 0 0 9 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.933 88.6 49.5 -58.9 -52.1 -22.5 2.9 -17.7 227 227 A N H > S+ 0 0 15 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.889 111.4 49.8 -61.1 -38.1 -21.4 1.7 -14.2 228 228 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.948 108.9 51.2 -66.8 -38.0 -18.7 -0.5 -15.7 229 229 A N H X S+ 0 0 51 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.898 105.5 57.5 -64.2 -36.3 -17.3 2.3 -17.8 230 230 A R H X S+ 0 0 52 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.843 104.4 52.3 -63.1 -34.4 -17.2 4.5 -14.6 231 231 A L H X S+ 0 0 2 -4,-1.3 4,-1.9 -3,-0.5 -1,-0.2 0.920 111.8 44.4 -68.6 -45.1 -15.0 1.9 -12.9 232 232 A A H X S+ 0 0 4 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.931 114.2 50.7 -64.0 -37.7 -12.5 1.9 -15.8 233 233 A E H X S+ 0 0 40 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.861 106.5 54.4 -64.0 -44.8 -12.5 5.6 -16.1 234 234 A L H X S+ 0 0 18 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.936 111.1 44.8 -58.0 -45.9 -11.9 6.0 -12.3 235 235 A A H <>S+ 0 0 0 -4,-1.9 5,-2.0 1,-0.2 3,-0.4 0.872 110.5 53.8 -67.1 -40.0 -8.8 3.9 -12.5 236 236 A Q H ><5S+ 0 0 100 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.902 104.0 55.8 -61.5 -37.6 -7.5 5.6 -15.7 237 237 A R H 3<5S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.744 102.0 58.6 -68.4 -18.4 -7.8 9.0 -13.9 238 238 A M T 3<5S- 0 0 70 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.386 127.2-102.3 -83.7 2.6 -5.5 7.6 -11.2 239 239 A G T < 5S+ 0 0 65 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.576 80.3 130.0 93.8 3.7 -2.9 7.0 -13.9 240 240 A K < - 0 0 55 -5,-2.0 2,-0.4 -24,-0.0 -1,-0.3 -0.734 64.6-115.1 -94.1 139.7 -3.4 3.2 -14.3 241 241 A R E -c 216 0A 112 -26,-1.0 -24,-2.5 -2,-0.3 2,-0.4 -0.655 45.0-178.0 -62.4 131.7 -3.9 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 -0.999 12.8-164.3-142.3 140.6 -7.5 0.1 -17.4 243 243 A F E -c 218 0A 42 -26,-2.2 -24,-3.1 -2,-0.4 2,-0.6 -0.988 16.4-142.8-132.7 130.4 -9.5 -1.9 -19.8 244 244 A L E +c 219 0A 21 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.845 35.1 175.5 -85.7 126.6 -13.2 -2.7 -20.0 245 245 A I E -c 220 0A 1 -26,-2.7 -24,-2.5 -2,-0.6 3,-0.1 -0.968 35.5-153.0-138.5 142.2 -13.5 -6.3 -21.2 246 246 A D S S- 0 0 11 -2,-0.4 2,-0.3 1,-0.2 -202,-0.1 0.839 78.1 -18.1 -80.5 -33.5 -16.3 -8.7 -21.7 247 247 A D S > S- 0 0 35 -26,-0.1 3,-1.8 30,-0.1 -1,-0.2 -0.926 78.1 -78.3-162.5 178.9 -14.4 -11.8 -21.1 248 248 A A G > S+ 0 0 18 1,-0.3 3,-1.6 -2,-0.3 26,-0.0 0.737 116.0 68.9 -64.9 -25.5 -11.0 -13.4 -20.8 249 249 A K G 3 S+ 0 0 191 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.740 92.3 62.4 -65.9 -23.0 -10.6 -13.7 -24.6 250 250 A D G < S+ 0 0 54 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.591 76.7 110.7 -77.9 -11.1 -10.3 -9.8 -24.7 251 251 A I < - 0 0 12 -3,-1.6 2,-0.5 -4,-0.2 3,-0.0 -0.543 57.0-153.3 -74.6 124.9 -7.1 -9.8 -22.6 252 252 A Q >> - 0 0 113 -2,-0.3 3,-1.5 1,-0.1 4,-0.5 -0.822 13.1-138.5 -93.9 131.7 -4.1 -8.7 -24.6 253 253 A E H >> S+ 0 0 121 -2,-0.5 3,-1.5 1,-0.3 4,-0.9 0.849 99.8 66.8 -67.1 -27.1 -0.9 -10.1 -23.2 254 254 A E H 34 S+ 0 0 86 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.822 90.1 67.2 -55.2 -28.4 0.9 -6.9 -23.7 255 255 A W H <4 S+ 0 0 19 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.808 113.6 27.6 -65.3 -27.1 -1.3 -5.3 -21.1 256 256 A V H X< S+ 0 0 8 -3,-1.5 3,-2.0 -4,-0.5 -1,-0.2 0.386 82.7 134.9-120.3 1.6 0.2 -7.4 -18.4 257 257 A K T 3< S- 0 0 123 -4,-0.9 3,-0.1 -3,-0.4 -3,-0.0 -0.355 90.2 -8.5 -48.8 116.6 3.7 -8.0 -19.7 258 258 A E T 3 S+ 0 0 186 1,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.752 97.0 144.8 61.1 25.0 6.1 -7.5 -16.8 259 259 A V < - 0 0 17 -3,-2.0 -1,-0.2 1,-0.1 3,-0.2 -0.803 36.9-162.4 -89.2 132.5 3.3 -6.1 -14.6 260 260 A K S S+ 0 0 170 -2,-0.4 -258,-3.1 1,-0.3 2,-0.4 0.676 74.7 28.7 -93.1 -16.8 3.8 -7.0 -11.0 261 261 A C E -a 2 0A 11 -260,-0.2 -46,-2.5 26,-0.0 -45,-1.0 -0.919 62.3-177.8-147.7 118.8 0.3 -6.4 -9.8 262 262 A V E -ad 3 216A 0 -260,-3.0 -258,-2.9 -2,-0.4 2,-0.4 -0.933 12.8-153.2-115.0 136.4 -2.9 -6.6 -11.8 263 263 A G E -ad 4 217A 0 -47,-3.3 -45,-2.9 -2,-0.4 2,-0.4 -0.863 6.2-162.6-111.0 144.9 -6.3 -5.7 -10.3 264 264 A V E +ad 5 218A 0 -260,-2.6 -258,-2.4 -2,-0.4 2,-0.3 -0.992 16.6 158.5-126.4 134.9 -9.6 -7.1 -11.5 265 265 A T E - d 0 219A 0 -47,-2.6 -45,-2.6 -2,-0.4 2,-0.3 -0.773 22.2-144.3-135.4-178.6 -13.1 -5.8 -10.8 266 266 A A E - d 0 220A 0 -47,-0.3 -256,-2.6 -2,-0.3 -45,-0.2 -0.981 18.9-113.6-149.3 143.1 -16.5 -6.2 -12.5 267 267 A G > - 0 0 0 -47,-2.6 3,-1.9 -2,-0.3 -258,-0.1 -0.143 42.5 -95.3 -70.0 172.2 -19.5 -3.9 -13.0 268 268 A A T 3 S+ 0 0 6 1,-0.3 -256,-1.3 -257,-0.1 -253,-0.2 0.667 123.8 50.0 -64.4 -18.7 -22.8 -4.5 -11.4 269 269 A S T 3 S+ 0 0 4 -258,-0.2 -1,-0.3 -228,-0.2 -224,-0.2 0.358 88.2 100.4-103.6 8.2 -24.2 -6.4 -14.4 270 270 A A < - 0 0 0 -3,-1.9 -259,-0.5 -50,-0.2 -50,-0.1 -0.825 69.1-128.8-103.0 122.8 -21.2 -8.8 -14.9 271 271 A P >> - 0 0 14 0, 0.0 3,-1.3 0, 0.0 4,-1.0 -0.288 16.3-121.2 -69.7 152.8 -21.5 -12.3 -13.6 272 272 A D H 3> S+ 0 0 87 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.790 107.4 68.0 -63.1 -31.9 -18.9 -13.9 -11.4 273 273 A I H 3> S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.878 98.1 52.9 -55.4 -32.2 -18.2 -16.7 -13.9 274 274 A L H <> S+ 0 0 12 -3,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.905 108.8 49.3 -68.2 -41.4 -16.7 -14.1 -16.2 275 275 A V H X S+ 0 0 2 -4,-1.0 4,-2.8 2,-0.2 5,-0.2 0.926 109.3 53.3 -62.5 -43.1 -14.4 -12.9 -13.4 276 276 A Q H X S+ 0 0 100 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.897 110.5 46.4 -61.3 -39.6 -13.3 -16.5 -12.7 277 277 A N H X S+ 0 0 90 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 111.0 51.9 -71.8 -32.9 -12.4 -17.0 -16.3 278 278 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.926 109.9 49.1 -64.8 -43.6 -10.5 -13.7 -16.4 279 279 A V H X S+ 0 0 13 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.930 109.7 53.0 -61.1 -43.7 -8.5 -14.8 -13.3 280 280 A A H X S+ 0 0 44 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.930 110.7 47.5 -64.2 -36.0 -7.8 -18.2 -14.9 281 281 A R H X S+ 0 0 82 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.913 109.3 51.9 -67.8 -43.6 -6.4 -16.4 -18.0 282 282 A L H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 -1,-0.2 0.870 107.2 53.7 -61.8 -30.4 -4.3 -14.1 -15.9 283 283 A Q H ><5S+ 0 0 81 -4,-2.3 3,-1.6 3,-0.2 -1,-0.2 0.890 104.7 54.4 -72.1 -34.5 -2.9 -17.1 -14.2 284 284 A Q H 3<5S+ 0 0 141 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.875 107.1 54.1 -59.6 -33.7 -1.9 -18.6 -17.6 285 285 A L T 3<5S- 0 0 39 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.189 138.7 -78.4 -90.7 20.1 -0.1 -15.2 -18.1 286 286 A G T < 5S+ 0 0 50 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.396 82.9 143.4 106.8 -3.3 1.9 -15.5 -15.0 287 287 A G < - 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