==== 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 20-JUL-11 3T0G . 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) . 27863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 68.5 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 . 37 6.0 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 . 196 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 3 1 0 0 2 2 2 2 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 57 0, 0.0 287,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.8 2.2 -11.4 -11.4 2 2 A Q E -a 261 0A 88 258,-2.6 260,-2.7 285,-0.2 2,-0.6 -0.763 360.0-147.3 -94.8 133.0 -0.1 -11.0 -8.5 3 3 A I E -ab 262 290A 1 286,-0.6 288,-2.3 -2,-0.4 2,-0.4 -0.928 14.5-168.8-101.9 122.8 -3.8 -10.9 -9.4 4 4 A L E -ab 263 291A 3 258,-2.9 260,-2.8 -2,-0.6 2,-0.4 -0.919 7.8-151.0-110.1 146.0 -6.0 -8.7 -7.2 5 5 A L E -ab 264 292A 8 286,-2.6 288,-2.6 -2,-0.4 260,-0.2 -0.951 19.0-123.5-112.3 132.0 -9.8 -8.7 -7.1 6 6 A A - 0 0 0 258,-3.3 201,-0.1 -2,-0.4 289,-0.1 -0.337 27.0-116.3 -73.7 157.8 -11.8 -5.7 -6.2 7 7 A N S S+ 0 0 49 1,-0.3 289,-0.4 287,-0.2 2,-0.1 -0.890 95.0 22.4-153.1 113.6 -14.4 -5.8 -3.5 8 8 A P S S+ 0 0 11 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.425 88.1 146.1 -78.8 160.5 -17.2 -5.3 -4.0 9 9 A R + 0 0 62 -2,-0.1 258,-0.2 2,-0.1 263,-0.1 -0.953 40.7 15.8-140.8 169.5 -17.5 -6.2 -7.8 10 10 A G S S+ 0 0 7 256,-3.4 193,-0.1 -2,-0.3 256,-0.1 -0.157 93.6 37.6 71.2-160.0 -20.0 -7.8 -10.0 11 11 A F - 0 0 68 259,-0.6 258,-0.2 1,-0.1 2,-0.1 0.171 56.9-163.9 -38.6 128.6 -23.7 -8.4 -9.4 12 12 A C > - 0 0 19 256,-1.4 4,-1.7 1,-0.0 5,-0.1 -0.454 37.3 -98.1 -94.1 176.5 -25.7 -5.8 -7.6 13 13 A A H > S+ 0 0 7 1,-0.2 4,-2.1 2,-0.2 289,-0.4 0.861 120.1 51.0 -62.8 -41.4 -29.3 -6.5 -6.1 14 14 A G H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.865 110.8 48.3 -71.2 -31.8 -31.2 -5.0 -9.0 15 15 A V H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.917 111.4 49.2 -74.9 -42.0 -29.4 -7.0 -11.6 16 16 A D H X S+ 0 0 81 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.907 113.2 47.9 -60.8 -41.9 -29.8 -10.3 -9.7 17 17 A R H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.958 111.2 50.2 -66.3 -46.8 -33.5 -9.6 -9.3 18 18 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.866 111.6 46.9 -63.1 -40.5 -34.0 -8.6 -13.0 19 19 A I H X S+ 0 0 12 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.957 112.5 50.8 -67.6 -47.2 -32.3 -11.8 -14.4 20 20 A S H X S+ 0 0 32 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.824 104.0 57.6 -57.1 -39.6 -34.2 -13.9 -12.0 21 21 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.934 110.7 44.4 -54.1 -47.7 -37.5 -12.3 -13.1 22 22 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 3,-0.3 0.960 115.0 46.7 -66.3 -48.6 -36.7 -13.4 -16.7 23 23 A E H X S+ 0 0 59 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.962 115.0 46.7 -54.3 -53.2 -35.6 -17.0 -15.7 24 24 A N H X S+ 0 0 46 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.720 112.4 50.0 -63.0 -25.6 -38.7 -17.5 -13.4 25 25 A A H X S+ 0 0 0 -4,-1.5 4,-2.8 -3,-0.3 5,-0.4 0.923 111.9 48.3 -74.7 -47.3 -41.0 -16.2 -16.1 26 26 A L H X S+ 0 0 11 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.832 113.7 48.3 -53.7 -38.3 -39.4 -18.6 -18.6 27 27 A A H < S+ 0 0 85 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.733 115.5 42.6 -76.5 -30.2 -39.8 -21.4 -16.0 28 28 A I H < S+ 0 0 84 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.802 133.3 16.9 -88.3 -29.7 -43.5 -20.6 -15.3 29 29 A Y H < S- 0 0 111 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.424 97.0-132.0-124.3 -3.9 -44.6 -20.0 -18.8 30 30 A G < - 0 0 33 -4,-1.6 -3,-0.1 -5,-0.4 -1,-0.1 0.177 49.4 -9.1 73.5 161.1 -42.0 -21.5 -21.2 31 31 A A S S+ 0 0 65 21,-0.1 23,-0.1 23,-0.1 22,-0.1 -0.250 99.9 55.6 -55.6 157.1 -40.4 -19.8 -24.2 32 32 A P + 0 0 71 0, 0.0 2,-0.4 0, 0.0 36,-0.4 0.743 55.9 162.2 -83.5 150.6 -40.9 -17.3 -25.7 33 33 A I E -e 54 0B 0 20,-1.3 22,-3.3 34,-0.1 2,-0.4 -0.996 30.9-141.1-118.9 124.6 -40.8 -14.5 -23.1 34 34 A Y E -ef 55 69B 40 34,-2.8 36,-1.7 -2,-0.4 2,-0.4 -0.748 17.1-168.8 -91.0 144.5 -40.3 -11.1 -24.8 35 35 A V E -ef 56 70B 0 20,-2.8 22,-2.3 -2,-0.4 2,-0.6 -0.992 19.1-131.9-134.4 128.9 -38.1 -8.6 -23.1 36 36 A R E S-ef 57 71B 23 34,-2.4 36,-0.9 -2,-0.4 22,-0.2 -0.667 77.3 -14.1 -83.9 119.4 -37.7 -4.9 -24.1 37 37 A H S S- 0 0 31 20,-2.5 20,-0.2 -2,-0.6 2,-0.2 0.174 113.9 -47.6 68.6 158.1 -34.1 -3.8 -24.4 38 38 A E - 0 0 41 1,-0.1 35,-0.1 18,-0.1 3,-0.1 -0.466 58.7-127.7 -51.8 129.8 -31.3 -6.1 -23.1 39 39 A V S S- 0 0 0 33,-0.2 34,-2.8 -2,-0.2 35,-0.3 0.878 92.7 -0.2 -57.5 -39.1 -32.6 -7.0 -19.6 40 40 A V S S- 0 0 2 2,-0.2 2,-2.1 32,-0.2 6,-0.2 -0.938 92.0 -96.4-137.1 155.0 -29.2 -5.8 -18.2 41 41 A H S S+ 0 0 9 -2,-0.3 181,-0.8 183,-0.1 2,-0.3 -0.358 84.3 110.7 -72.6 62.1 -26.1 -4.4 -20.3 42 42 A N > - 0 0 0 -2,-2.1 4,-2.6 179,-0.1 5,-0.2 -0.883 55.5-156.1-143.1 111.2 -24.2 -7.7 -20.5 43 43 A R H > S+ 0 0 113 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.815 97.6 50.7 -42.6 -44.8 -23.8 -9.7 -23.8 44 44 A Y H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 111.1 44.7 -75.2 -42.8 -23.2 -12.9 -21.9 45 45 A V H > S+ 0 0 7 224,-0.2 4,-2.0 1,-0.2 5,-0.2 0.945 116.5 49.7 -60.5 -47.1 -26.4 -12.7 -19.6 46 46 A V H X S+ 0 0 1 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.800 113.7 41.9 -65.6 -34.0 -28.4 -11.7 -22.7 47 47 A D H X S+ 0 0 77 -4,-2.0 4,-0.7 -5,-0.2 -1,-0.2 0.809 111.4 60.4 -78.9 -29.8 -27.2 -14.5 -25.0 48 48 A S H < S+ 0 0 40 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.924 114.2 33.1 -58.2 -43.1 -27.6 -16.8 -21.9 49 49 A L H ><>S+ 0 0 2 -4,-2.0 5,-2.6 1,-0.2 3,-0.6 0.778 109.7 65.2 -85.8 -31.3 -31.3 -16.1 -21.7 50 50 A R H 3<5S+ 0 0 122 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.576 107.2 44.5 -64.7 -15.9 -31.9 -15.7 -25.5 51 51 A E T 3<5S+ 0 0 159 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.413 103.5 61.5-116.3 -0.8 -31.0 -19.3 -25.8 52 52 A R T < 5S- 0 0 128 -3,-0.6 -2,-0.2 2,-0.1 -21,-0.1 0.369 133.6 -87.7 -94.3 2.7 -33.2 -20.3 -22.8 53 53 A G T 5S+ 0 0 19 1,-0.3 -20,-1.3 -4,-0.2 2,-0.4 0.599 85.3 132.3 104.9 11.3 -36.1 -18.9 -24.9 54 54 A A E < -e 33 0B 1 -5,-2.6 2,-0.5 -22,-0.2 -1,-0.3 -0.794 42.7-147.9 -93.0 143.4 -36.3 -15.2 -24.1 55 55 A I E -e 34 0B 66 -22,-3.3 -20,-2.8 -2,-0.4 2,-0.6 -0.941 3.4-147.9-115.3 121.7 -36.5 -12.8 -27.1 56 56 A F E +e 35 0B 27 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.770 24.5 171.3 -93.7 119.6 -35.0 -9.3 -26.9 57 57 A I E -e 36 0B 11 -22,-2.3 -20,-2.5 -2,-0.6 3,-0.1 -0.893 30.9-146.0-124.5 155.3 -36.9 -6.6 -28.8 58 58 A E S S+ 0 0 88 -2,-0.3 2,-0.3 -22,-0.2 -1,-0.1 0.745 80.9 36.1-100.7 -22.6 -36.6 -2.9 -29.0 59 59 A Q S > S- 0 0 125 1,-0.1 3,-0.7 -22,-0.0 4,-0.5 -0.976 73.4-126.4-128.6 152.5 -40.2 -1.7 -29.5 60 60 A I T 3 S+ 0 0 2 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.588 107.9 70.3 -65.8 -16.6 -43.5 -3.0 -28.2 61 61 A S T 3 S+ 0 0 72 1,-0.2 -1,-0.2 0, 0.0 -4,-0.0 0.957 91.2 59.3 -64.2 -46.8 -44.7 -3.2 -31.8 62 62 A E S < S+ 0 0 104 -3,-0.7 -1,-0.2 2,-0.0 -2,-0.2 0.741 90.4 86.3 -50.3 -31.4 -42.2 -6.2 -32.3 63 63 A V S S- 0 0 1 -4,-0.5 6,-0.0 -3,-0.1 -27,-0.0 -0.651 78.3-133.0 -78.6 130.0 -44.1 -8.2 -29.5 64 64 A P - 0 0 53 0, 0.0 3,-0.3 0, 0.0 2,-0.3 0.259 32.7 -76.9 -58.0-170.0 -47.1 -10.1 -30.7 65 65 A D S S+ 0 0 132 1,-0.2 24,-0.1 24,-0.0 23,-0.1 -0.773 111.5 16.0 -99.8 143.2 -50.6 -10.3 -29.0 66 66 A G S S+ 0 0 58 22,-1.3 2,-0.2 21,-0.5 -1,-0.2 0.562 96.7 135.8 69.4 10.1 -51.3 -12.4 -25.8 67 67 A A - 0 0 16 -3,-0.3 23,-1.1 21,-0.2 2,-0.4 -0.539 60.0-111.5 -89.7 154.9 -47.4 -12.6 -25.2 68 68 A I E - g 0 90B 20 -36,-0.4 -34,-2.8 -2,-0.2 2,-0.4 -0.728 35.6-168.8 -87.2 130.8 -45.5 -12.1 -21.9 69 69 A L E -fg 34 91B 0 21,-3.4 23,-2.9 -2,-0.4 2,-0.4 -0.955 9.2-164.3-125.6 138.6 -43.4 -9.0 -21.8 70 70 A I E -fg 35 92B 0 -36,-1.7 -34,-2.4 -2,-0.4 2,-0.4 -0.972 17.1-135.3-120.0 135.6 -40.7 -7.9 -19.3 71 71 A F E -fg 36 93B 1 21,-2.2 23,-1.7 -2,-0.4 -34,-0.1 -0.741 32.8-110.8 -82.7 142.1 -39.3 -4.4 -18.9 72 72 A S > - 0 0 0 -36,-0.9 3,-1.7 -2,-0.4 -33,-0.2 -0.108 27.8-103.4 -69.4 171.3 -35.6 -4.2 -18.6 73 73 A A T 3 S+ 0 0 10 -34,-2.8 23,-2.1 1,-0.3 26,-0.2 0.724 115.1 69.9 -71.7 -12.4 -33.9 -3.2 -15.3 74 74 A H T 3 S- 0 0 23 -35,-0.3 -1,-0.3 1,-0.2 55,-0.1 0.633 103.7-131.0 -78.7 -13.7 -33.0 0.2 -16.7 75 75 A G < - 0 0 2 -3,-1.7 2,-0.3 54,-0.1 54,-0.2 -0.121 15.7-109.7 91.9 171.7 -36.7 1.1 -16.6 76 76 A V - 0 0 4 53,-0.2 2,-0.0 52,-0.1 -5,-0.0 -0.888 23.5 -99.5-142.8 167.6 -39.1 2.6 -19.1 77 77 A S > - 0 0 13 -2,-0.3 4,-2.0 1,-0.1 56,-0.2 -0.268 36.1-109.3 -83.6 171.5 -41.1 5.8 -19.8 78 78 A Q H > S+ 0 0 76 54,-2.5 4,-2.7 2,-0.2 5,-0.2 0.922 119.6 57.7 -66.7 -38.7 -44.8 6.3 -19.0 79 79 A A H > S+ 0 0 66 53,-0.4 4,-2.9 2,-0.2 5,-0.2 0.957 108.0 43.4 -54.9 -60.4 -45.4 6.2 -22.7 80 80 A V H > S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.935 112.8 52.5 -45.5 -55.3 -43.9 2.8 -23.2 81 81 A R H X S+ 0 0 73 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.878 114.4 44.1 -54.8 -41.4 -45.7 1.4 -20.0 82 82 A N H X S+ 0 0 85 -4,-2.7 4,-2.4 -3,-0.2 -1,-0.2 0.872 109.4 54.7 -67.2 -44.5 -49.0 2.8 -21.5 83 83 A E H < S+ 0 0 91 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.743 112.8 45.6 -62.7 -27.7 -48.3 1.4 -25.0 84 84 A A H < S+ 0 0 0 -4,-2.2 3,-0.4 -5,-0.2 5,-0.3 0.887 110.6 51.6 -74.5 -46.7 -47.8 -2.0 -23.4 85 85 A K H >< S+ 0 0 168 -4,-1.8 2,-1.7 1,-0.3 3,-1.2 0.903 103.6 58.1 -65.7 -43.4 -50.9 -1.8 -21.2 86 86 A S T 3< S+ 0 0 88 -4,-2.4 -1,-0.3 1,-0.2 -4,-0.1 -0.418 99.4 62.1 -82.5 58.7 -53.2 -0.9 -24.0 87 87 A R T 3 S- 0 0 64 -2,-1.7 -21,-0.5 -3,-0.4 -1,-0.2 0.240 106.8-112.1-161.2 20.5 -52.3 -4.0 -25.9 88 88 A D < + 0 0 140 -3,-1.2 -22,-1.3 1,-0.2 2,-0.4 0.956 63.3 147.6 47.4 71.7 -53.5 -6.9 -23.7 89 89 A L - 0 0 22 -5,-0.3 2,-0.5 -4,-0.2 -21,-0.2 -0.969 54.3-117.3-130.5 144.2 -50.1 -8.3 -22.8 90 90 A T E -g 68 0B 69 -23,-1.1 -21,-3.4 -2,-0.4 2,-0.5 -0.788 42.0-162.7 -77.9 125.7 -49.0 -9.9 -19.5 91 91 A V E -g 69 0B 48 -2,-0.5 2,-0.4 -23,-0.2 -21,-0.2 -0.952 19.7-174.5-120.7 129.0 -46.3 -7.5 -18.2 92 92 A F E -g 70 0B 22 -23,-2.9 -21,-2.2 -2,-0.5 2,-0.7 -0.990 19.0-143.5-117.9 137.5 -43.6 -8.1 -15.6 93 93 A D E +g 71 0B 38 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.874 21.3 176.0-109.8 111.5 -41.4 -5.1 -14.6 94 94 A A + 0 0 0 -23,-1.7 -76,-0.2 -2,-0.7 -1,-0.1 0.306 32.3 140.6 -92.9 6.3 -37.7 -5.8 -13.9 95 95 A T - 0 0 4 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.249 64.2-106.1 -50.8 131.3 -36.9 -2.1 -13.4 96 96 A C >> - 0 0 20 -23,-2.1 3,-2.1 1,-0.2 4,-1.7 -0.396 22.1-127.8 -60.3 133.5 -34.4 -1.9 -10.4 97 97 A P H 3> S+ 0 0 27 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.740 110.0 64.0 -55.5 -22.3 -36.3 -0.5 -7.4 98 98 A L H 3> S+ 0 0 45 2,-0.2 4,-0.7 1,-0.2 -2,-0.1 0.791 105.5 45.1 -74.5 -23.5 -33.5 2.1 -7.1 99 99 A V H X> S+ 0 0 7 -3,-2.1 4,-2.8 2,-0.2 3,-0.7 0.921 108.5 54.7 -78.3 -50.7 -34.7 3.4 -10.5 100 100 A T H 3X S+ 0 0 52 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.914 102.6 58.5 -41.2 -51.1 -38.3 3.3 -9.7 101 101 A K H 3X S+ 0 0 104 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.854 109.5 43.8 -53.7 -38.0 -37.6 5.5 -6.6 102 102 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 3,-1.5 0.996 111.2 46.9 -57.7 -60.2 -39.8 12.8 -11.3 107 107 A A H 3X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.3 -1,-0.2 0.725 107.8 59.1 -53.0 -27.5 -43.6 12.1 -11.6 108 108 A R H 3X S+ 0 0 107 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.3 0.876 108.3 45.1 -67.0 -36.9 -44.0 14.0 -8.3 109 109 A A H <<>S+ 0 0 4 -4,-1.6 5,-0.7 -3,-1.5 -2,-0.2 0.892 109.3 55.3 -77.0 -40.6 -42.5 17.1 -10.0 110 110 A S H ><5S+ 0 0 6 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.978 107.8 48.7 -50.2 -60.5 -44.6 16.6 -13.1 111 111 A R H 3<5S+ 0 0 171 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.809 109.8 51.0 -50.0 -43.1 -47.9 16.6 -11.1 112 112 A R T 3<5S- 0 0 150 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.147 112.4-119.5 -84.3 17.7 -47.1 19.8 -9.2 113 113 A G T < 5 + 0 0 19 -3,-2.1 -3,-0.1 1,-0.2 -2,-0.1 0.286 67.2 140.7 68.3 -10.2 -46.2 21.6 -12.5 114 114 A E < - 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0 0 1 -47,-2.5 3,-0.8 -2,-0.3 29,-0.2 -0.487 34.4-126.3 -52.3 142.2 -29.0 8.6 -13.2 167 167 A C T 3 S+ 0 0 7 1,-0.2 30,-1.0 29,-0.2 33,-0.2 0.778 99.9 53.6 -67.5 -26.2 -28.0 5.7 -10.8 168 168 A T T 3 S+ 0 0 21 28,-0.2 -1,-0.2 32,-0.1 62,-0.2 -0.036 79.2 120.9-113.7 33.4 -24.8 4.7 -12.7 169 169 A L S < S- 0 0 17 -3,-0.8 2,-0.3 1,-0.1 3,-0.1 -0.392 74.4 -83.5 -83.7 161.9 -22.8 7.9 -13.0 170 170 A S > - 0 0 12 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.543 34.1-142.1 -59.3 126.4 -19.3 8.7 -11.9 171 171 A V H > S+ 0 0 13 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.951 99.7 45.8 -59.4 -49.1 -19.6 9.8 -8.2 172 172 A D H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 113.1 45.4 -62.5 -52.1 -16.9 12.6 -8.7 173 173 A D H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.859 112.5 53.9 -59.4 -31.2 -18.2 14.1 -12.1 174 174 A T H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.943 102.9 56.5 -69.1 -42.7 -21.7 14.1 -10.6 175 175 A S H X S+ 0 0 46 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.891 107.2 48.6 -50.8 -47.7 -20.4 16.0 -7.6 176 176 A D H X S+ 0 0 89 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.881 110.0 51.9 -62.6 -39.9 -19.1 18.8 -9.9 177 177 A V H X S+ 0 0 2 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.939 111.6 46.6 -61.7 -46.0 -22.4 18.9 -11.8 178 178 A I H X S+ 0 0 14 -4,-2.9 4,-2.1 2,-0.2 5,-0.3 0.932 108.4 56.1 -61.0 -39.3 -24.4 19.3 -8.5 179 179 A D H X S+ 0 0 97 -4,-2.4 4,-1.0 -5,-0.2 -1,-0.2 0.936 109.1 48.0 -60.8 -43.3 -21.9 22.0 -7.5 180 180 A A H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 3,-0.3 0.896 109.9 50.8 -63.0 -43.4 -22.7 23.8 -10.7 181 181 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 7,-0.2 0.856 108.6 50.8 -62.6 -35.8 -26.5 23.5 -10.2 182 182 A R H < S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.745 112.8 46.8 -76.4 -20.8 -26.5 24.9 -6.6 183 183 A K H < S+ 0 0 172 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.852 117.9 39.7 -93.5 -33.8 -24.5 27.9 -7.6 184 184 A R H < S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.780 131.2 29.6 -78.5 -28.2 -26.6 28.7 -10.7 185 185 A F >< - 0 0 1 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.2 -0.687 67.0-178.7-134.4 78.0 -29.8 27.9 -8.9 186 186 A P T 3 S+ 0 0 105 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.596 83.6 49.3 -63.2 -8.2 -29.5 28.5 -5.2 187 187 A K T 3 S+ 0 0 129 -29,-0.4 -26,-0.2 2,-0.1 -5,-0.1 0.580 78.4 125.3-102.0 -15.1 -33.1 27.3 -4.5 188 188 A I < - 0 0 5 -3,-1.9 2,-0.4 -7,-0.2 -26,-0.2 -0.088 49.0-147.7 -44.0 138.0 -33.0 24.0 -6.4 189 189 A V B +j 162 0C 76 -28,-3.0 -26,-1.9 313,-0.0 -1,-0.1 -0.937 32.1 132.1-113.2 140.0 -34.0 21.0 -4.3 190 190 A G - 0 0 5 -2,-0.4 -26,-0.1 -28,-0.2 4,-0.1 -0.849 56.9 -44.3-154.4-160.8 -32.7 17.4 -4.5 191 191 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.250 65.3 -96.1 -69.8 161.2 -31.3 14.5 -2.4 192 192 A R S S- 0 0 56 2,-0.1 307,-0.0 1,-0.0 -2,-0.0 0.809 111.6 -15.1 -48.9 -30.4 -28.7 15.2 0.3 193 193 A K S S- 0 0 103 1,-0.3 2,-0.2 3,-0.0 -1,-0.0 0.344 113.7 -46.1-132.6 -80.7 -26.2 14.2 -2.3 194 194 A D - 0 0 25 2,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 -0.821 41.3-105.8-148.2-177.5 -27.3 12.3 -5.5 195 195 A D + 0 0 13 -2,-0.2 2,-0.3 -29,-0.2 -93,-0.1 0.192 68.6 132.8-101.0 17.5 -29.4 9.5 -6.8 196 196 A I - 0 0 13 1,-0.1 -29,-0.2 -28,-0.1 -28,-0.2 -0.521 59.1-117.7 -70.5 128.6 -26.3 7.2 -7.5 197 197 A C > - 0 0 22 -30,-1.0 4,-2.4 -2,-0.3 3,-0.3 -0.133 17.1-110.8 -70.6 162.9 -27.0 3.7 -6.1 198 198 A Y H > S+ 0 0 49 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.877 117.0 57.5 -60.5 -37.4 -25.1 2.0 -3.4 199 199 A A H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.916 108.7 43.7 -65.0 -37.6 -23.7 -0.5 -6.0 200 200 A T H > S+ 0 0 3 -3,-0.3 4,-2.3 -33,-0.2 -2,-0.2 0.940 115.7 49.2 -72.7 -47.4 -22.2 2.2 -8.2 201 201 A T H X S+ 0 0 50 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.961 114.8 44.6 -51.4 -54.3 -20.8 4.1 -5.2 202 202 A N H X S+ 0 0 13 -4,-3.3 4,-3.0 1,-0.2 -2,-0.2 0.880 111.5 51.0 -64.3 -38.7 -19.3 0.9 -3.8 203 203 A R H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.874 111.0 51.1 -71.9 -33.8 -17.8 -0.4 -7.0 204 204 A Q H X S+ 0 0 3 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.947 110.7 45.2 -64.2 -53.3 -16.2 3.0 -7.5 205 205 A E H X S+ 0 0 71 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.963 114.3 52.0 -54.8 -48.4 -14.6 3.1 -4.1 206 206 A A H X S+ 0 0 7 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.897 109.6 46.2 -58.3 -44.4 -13.5 -0.5 -4.6 207 207 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.859 108.2 57.8 -68.7 -31.3 -11.8 0.1 -7.9 208 208 A R H X S+ 0 0 79 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.971 109.8 44.6 -57.3 -53.2 -10.2 3.2 -6.5 209 209 A A H >X S+ 0 0 48 -4,-2.3 3,-0.6 1,-0.2 4,-0.5 0.889 114.2 50.3 -55.7 -40.9 -8.5 1.1 -3.8 210 210 A L H >X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 3,-1.2 0.881 105.1 56.5 -66.6 -39.9 -7.6 -1.6 -6.3 211 211 A A H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.638 98.1 62.1 -75.3 -10.9 -6.0 0.9 -8.7 212 212 A E H << S+ 0 0 134 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.689 115.3 31.2 -88.7 -7.8 -3.7 2.1 -6.0 213 213 A Q H << S+ 0 0 109 -3,-1.2 2,-0.2 -4,-0.5 -2,-0.2 0.789 111.8 68.2-100.0 -42.8 -2.1 -1.4 -5.8 214 214 A A < - 0 0 0 -4,-2.7 48,-0.2 1,-0.1 3,-0.1 -0.551 59.1-156.3 -84.4 143.3 -2.5 -2.7 -9.4 215 215 A E S S+ 0 0 77 46,-2.6 26,-1.0 -2,-0.2 2,-0.4 0.729 87.3 32.4 -79.5 -33.5 -0.6 -1.3 -12.4 216 216 A V E S-cd 241 262A 4 45,-1.1 47,-3.0 24,-0.2 2,-0.5 -0.979 71.5-157.3-130.3 140.0 -3.3 -2.6 -14.8 217 217 A V E -cd 242 263A 0 24,-2.4 26,-1.9 -2,-0.4 2,-0.5 -0.980 0.5-162.5-123.3 123.7 -7.0 -2.9 -14.2 218 218 A L E -cd 243 264A 0 45,-3.0 47,-2.6 -2,-0.5 2,-0.6 -0.882 8.2-163.6 -99.9 128.8 -9.3 -5.2 -16.1 219 219 A V E -cd 244 265A 0 24,-3.1 26,-2.5 -2,-0.5 2,-0.6 -0.964 11.5-143.9-116.9 113.8 -13.0 -4.4 -15.8 220 220 A V E +cd 245 266A 0 45,-2.9 47,-2.4 -2,-0.6 2,-0.3 -0.707 52.6 102.1 -81.8 121.7 -15.3 -7.1 -16.8 221 221 A G - 0 0 0 24,-2.3 2,-0.2 -2,-0.6 -179,-0.1 -0.917 67.7 -89.9 178.4 161.1 -18.4 -5.6 -18.5 222 222 A S > - 0 0 4 -181,-0.8 3,-2.0 -2,-0.3 7,-0.2 -0.537 40.7-110.0 -83.6 159.9 -20.0 -4.9 -21.9 223 223 A K T 3 S+ 0 0 129 1,-0.3 6,-0.1 -2,-0.2 -1,-0.1 0.823 116.0 53.1 -58.3 -38.1 -19.4 -1.7 -24.0 224 224 A N T 3 S+ 0 0 75 4,-0.0 2,-0.9 5,-0.0 -1,-0.3 0.217 80.6 108.0 -85.5 17.5 -22.9 -0.4 -23.4 225 225 A S <> - 0 0 2 -3,-2.0 4,-2.2 1,-0.2 3,-0.2 -0.838 51.4-164.7-100.1 108.3 -22.8 -0.7 -19.5 226 226 A S H > S+ 0 0 12 -2,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.908 87.3 48.2 -55.3 -50.2 -22.5 2.7 -18.1 227 227 A N H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.871 109.8 53.2 -62.2 -34.6 -21.4 1.7 -14.6 228 228 A S H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.941 107.4 51.8 -67.3 -48.1 -18.8 -0.7 -16.0 229 229 A N H X S+ 0 0 53 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.820 103.4 57.6 -47.2 -43.4 -17.3 2.1 -18.0 230 230 A R H X S+ 0 0 47 -4,-2.0 4,-2.5 -62,-0.2 -1,-0.2 0.852 104.5 54.5 -60.9 -32.9 -17.1 4.4 -14.9 231 231 A L H X S+ 0 0 1 -4,-1.5 4,-1.9 -3,-0.3 -2,-0.2 0.925 112.8 38.8 -64.9 -50.0 -15.0 1.7 -13.4 232 232 A A H X S+ 0 0 5 -4,-1.6 4,-2.8 1,-0.2 -2,-0.2 0.952 117.1 52.2 -64.9 -43.3 -12.4 1.6 -16.2 233 233 A E H X S+ 0 0 43 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.891 107.5 51.3 -63.1 -39.2 -12.6 5.3 -16.6 234 234 A L H X S+ 0 0 19 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.943 110.8 48.7 -63.7 -47.2 -11.9 5.9 -12.9 235 235 A A H ><>S+ 0 0 0 -4,-1.9 5,-1.6 1,-0.2 3,-1.1 0.920 110.2 52.0 -58.5 -49.3 -8.8 3.6 -13.0 236 236 A Q H ><5S+ 0 0 97 -4,-2.8 3,-3.1 1,-0.3 -2,-0.2 0.902 103.6 55.3 -56.8 -47.5 -7.5 5.4 -16.1 237 237 A R H 3<5S+ 0 0 143 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.604 100.8 61.1 -64.0 -13.7 -7.7 8.9 -14.6 238 238 A M T <<5S- 0 0 66 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.349 127.2-107.1 -87.9 6.1 -5.6 7.5 -11.8 239 239 A G T < 5S+ 0 0 67 -3,-3.1 2,-0.3 1,-0.3 -3,-0.2 0.572 77.9 131.4 84.4 10.5 -3.1 7.0 -14.5 240 240 A K < - 0 0 52 -5,-1.6 -1,-0.3 -24,-0.0 2,-0.3 -0.736 65.0-112.4 -91.4 145.7 -3.4 3.1 -14.7 241 241 A R E +c 216 0A 110 -26,-1.0 -24,-2.4 -2,-0.3 2,-0.3 -0.598 47.2 176.4 -65.2 132.0 -3.9 1.2 -18.0 242 242 A A E -c 217 0A 5 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.985 13.8-166.4-145.7 140.8 -7.5 -0.1 -17.7 243 243 A F E -c 218 0A 39 -26,-1.9 -24,-3.1 -2,-0.3 2,-0.7 -0.996 18.3-140.3-133.6 134.5 -9.5 -2.1 -20.2 244 244 A L E +c 219 0A 22 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.870 34.1 179.3 -91.1 118.3 -13.2 -2.9 -20.4 245 245 A I E -c 220 0A 1 -26,-2.5 -24,-2.3 -2,-0.7 3,-0.1 -0.959 35.1-150.2-123.5 139.0 -13.4 -6.6 -21.6 246 246 A D S S- 0 0 10 -2,-0.4 2,-0.3 1,-0.2 -202,-0.1 0.875 79.1 -30.5 -70.6 -35.7 -16.4 -8.8 -22.2 247 247 A D S > S- 0 0 37 -26,-0.1 3,-2.2 30,-0.1 4,-0.3 -0.963 78.5 -65.0-166.8-177.2 -14.4 -11.9 -21.3 248 248 A A G > S+ 0 0 20 1,-0.3 3,-1.9 -2,-0.3 -1,-0.0 0.787 116.2 68.1 -50.8 -40.9 -11.0 -13.8 -21.2 249 249 A K G 3 S+ 0 0 186 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.744 94.8 58.4 -52.8 -28.8 -10.7 -13.9 -25.1 250 250 A D G < S+ 0 0 53 -3,-2.2 -1,-0.3 2,-0.1 2,-0.3 0.636 75.2 110.9 -80.2 -16.1 -10.2 -10.1 -25.1 251 251 A I < - 0 0 11 -3,-1.9 2,-0.5 -4,-0.3 3,-0.0 -0.443 56.7-156.5 -61.4 118.7 -7.1 -10.1 -22.8 252 252 A Q >> - 0 0 109 -2,-0.3 3,-1.7 1,-0.1 4,-0.5 -0.893 14.4-136.7 -95.8 129.5 -4.2 -9.0 -25.1 253 253 A E H >> S+ 0 0 125 -2,-0.5 4,-1.5 1,-0.3 3,-0.9 0.776 99.6 68.3 -66.8 -22.9 -1.0 -10.3 -23.5 254 254 A E H 34 S+ 0 0 79 1,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.844 91.2 65.4 -57.8 -32.7 0.9 -7.1 -24.2 255 255 A W H <4 S+ 0 0 23 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.823 115.6 26.8 -61.7 -34.0 -1.5 -5.5 -21.5 256 256 A V H X< S+ 0 0 6 -3,-0.9 3,-2.7 -4,-0.5 -1,-0.2 0.503 85.8 133.9-110.6 -4.1 -0.0 -7.7 -18.8 257 257 A K T 3< S- 0 0 131 -4,-1.5 3,-0.1 1,-0.3 -3,-0.0 -0.279 89.9 -8.0 -48.5 110.9 3.5 -8.3 -20.2 258 258 A E T 3 S+ 0 0 184 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.571 94.4 150.7 74.9 12.2 5.9 -7.8 -17.3 259 259 A V < - 0 0 16 -3,-2.7 -1,-0.2 1,-0.2 3,-0.2 -0.661 34.5-160.8 -81.9 122.3 3.2 -6.4 -15.0 260 260 A K S S+ 0 0 173 -2,-0.5 -258,-2.6 1,-0.3 2,-0.4 0.871 78.9 22.4 -68.9 -39.1 3.9 -7.0 -11.3 261 261 A C E -a 2 0A 10 -260,-0.2 -46,-2.6 -48,-0.0 -45,-1.1 -0.961 65.6-175.1-139.9 116.7 0.4 -6.5 -10.1 262 262 A V E -ad 3 216A 0 -260,-2.7 -258,-2.9 -2,-0.4 2,-0.4 -0.909 13.3-150.9-110.8 139.5 -2.9 -6.8 -12.2 263 263 A G E -ad 4 217A 0 -47,-3.0 -45,-3.0 -2,-0.4 2,-0.4 -0.864 6.0-159.8-112.7 143.5 -6.3 -5.9 -10.8 264 264 A V E +ad 5 218A 0 -260,-2.8 -258,-3.3 -2,-0.4 2,-0.3 -0.989 16.9 158.0-124.3 134.8 -9.7 -7.3 -11.7 265 265 A T E - 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