==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-NOV-11 3UV6 . COMPND 2 MOLECULE: 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTAS . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.SPAN,K.WANG,W.WANG,Y.ZHANG,A.BACHER,W.EISENREICH,C.SCHULZ, . 619 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27879.0 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 . 34 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 32.0 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 2 1 1 2 1 3 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,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 129.7 2.4 -11.4 -10.8 2 2 A Q E -a 261 0A 86 258,-2.4 260,-2.9 285,-0.2 2,-0.5 -0.667 360.0-153.9 -86.6 136.7 0.0 -10.7 -8.0 3 3 A I E -ab 262 290A 0 286,-0.6 288,-3.2 -2,-0.3 2,-0.4 -0.958 11.1-169.2-112.5 120.7 -3.8 -10.6 -8.8 4 4 A L E -ab 263 291A 3 258,-2.6 260,-2.3 -2,-0.5 2,-0.5 -0.896 9.8-147.9-107.6 142.6 -6.0 -8.5 -6.5 5 5 A L E -ab 264 292A 15 286,-2.4 288,-3.1 -2,-0.4 260,-0.2 -0.949 17.6-127.1-108.8 130.2 -9.8 -8.6 -6.6 6 6 A A - 0 0 0 258,-2.5 201,-0.1 -2,-0.5 289,-0.1 -0.339 28.2-118.3 -70.9 150.6 -11.8 -5.5 -5.8 7 7 A N S S+ 0 0 56 287,-0.2 289,-0.5 1,-0.2 2,-0.2 -0.923 92.3 27.3-145.5 121.5 -14.5 -5.7 -3.2 8 8 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.506 87.9 144.4 -76.4 163.2 -17.4 -5.3 -3.7 9 9 A R + 0 0 58 -2,-0.2 258,-0.2 2,-0.1 263,-0.1 -0.939 37.6 19.9-150.9 163.5 -17.6 -6.1 -7.4 10 10 A G S S+ 0 0 8 256,-2.4 256,-0.1 -2,-0.3 193,-0.1 -0.216 94.4 30.0 75.9-158.3 -20.0 -7.8 -9.8 11 11 A F - 0 0 65 259,-0.6 258,-0.2 258,-0.1 2,-0.1 -0.009 58.6-159.8 -53.7 134.3 -23.8 -8.2 -9.4 12 12 A C > - 0 0 20 256,-1.3 4,-2.0 1,-0.0 5,-0.2 -0.401 37.1 -97.0 -93.7-178.8 -25.9 -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 0.851 121.2 51.8 -73.3 -34.6 -29.3 -6.6 -6.0 14 14 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.874 110.3 48.4 -70.4 -38.3 -31.2 -5.0 -8.9 15 15 A V H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.913 110.9 50.4 -67.6 -43.2 -29.3 -7.0 -11.5 16 16 A D H X S+ 0 0 84 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.939 113.7 46.5 -62.2 -40.4 -29.8 -10.3 -9.7 17 17 A R H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.934 111.6 50.1 -64.8 -45.8 -33.5 -9.6 -9.4 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.904 112.5 46.4 -65.5 -40.4 -33.9 -8.6 -13.1 19 19 A I H X S+ 0 0 11 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.952 111.9 51.7 -67.2 -41.4 -32.1 -11.7 -14.4 20 20 A S H X S+ 0 0 32 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.877 104.7 57.8 -63.4 -33.9 -34.2 -13.9 -12.1 21 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.931 110.7 41.7 -62.7 -42.1 -37.3 -12.3 -13.4 22 22 A V H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.950 115.8 48.6 -70.4 -48.5 -36.5 -13.3 -17.0 23 23 A E H X S+ 0 0 61 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.909 113.6 47.3 -56.8 -44.9 -35.3 -16.8 -16.1 24 24 A N H X S+ 0 0 43 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.899 110.3 52.7 -68.2 -39.8 -38.4 -17.4 -13.9 25 25 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.3 5,-0.5 0.920 110.7 47.0 -55.0 -49.3 -40.7 -16.1 -16.7 26 26 A L H X S+ 0 0 17 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.917 114.3 48.2 -58.4 -44.3 -39.0 -18.5 -19.1 27 27 A A H < S+ 0 0 86 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.870 118.8 38.7 -67.5 -37.6 -39.4 -21.4 -16.6 28 28 A I H < S+ 0 0 92 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.906 133.6 18.6 -78.7 -43.7 -43.0 -20.7 -15.8 29 29 A Y H < S- 0 0 116 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.550 97.5-132.3-109.7 -12.7 -44.4 -19.7 -19.3 30 30 A G < - 0 0 31 -4,-2.2 -1,-0.2 -5,-0.5 -3,-0.1 -0.053 48.0 -8.5 78.6 169.2 -41.8 -21.2 -21.8 31 31 A A S S+ 0 0 66 -4,-0.1 23,-0.1 1,-0.1 2,-0.1 -0.519 100.6 52.9 -71.6 150.6 -40.2 -19.4 -24.8 32 32 A P + 0 0 70 0, 0.0 2,-0.4 0, 0.0 36,-0.3 0.607 56.3 163.3 -91.6 153.7 -40.6 -16.9 -26.1 33 33 A I E -e 54 0B 0 20,-1.1 22,-2.7 -2,-0.1 2,-0.3 -0.996 29.9-140.9-118.9 127.2 -40.4 -14.2 -23.4 34 34 A Y E -ef 55 69B 33 34,-2.8 36,-2.1 -2,-0.4 2,-0.4 -0.738 14.2-164.1 -92.1 145.6 -39.9 -10.7 -24.9 35 35 A V E -ef 56 70B 0 20,-2.9 22,-2.5 -2,-0.3 2,-0.8 -0.989 18.4-134.0-132.9 124.2 -37.7 -8.2 -23.1 36 36 A R E S-ef 57 71B 32 34,-2.6 36,-1.4 -2,-0.4 22,-0.2 -0.714 79.1 -16.8 -79.3 111.2 -37.7 -4.5 -23.8 37 37 A H S S- 0 0 27 20,-3.2 20,-0.2 -2,-0.8 21,-0.1 0.265 112.5 -44.7 74.0 157.1 -33.9 -3.5 -24.1 38 38 A E - 0 0 49 1,-0.2 3,-0.1 18,-0.1 35,-0.1 -0.334 58.8-128.7 -47.6 129.8 -31.0 -5.7 -22.8 39 39 A V S S- 0 0 0 1,-0.2 34,-2.1 33,-0.2 2,-0.3 0.882 92.0 -4.6 -62.1 -36.0 -32.3 -6.8 -19.4 40 40 A V S S- 0 0 2 2,-0.2 2,-2.2 32,-0.1 -1,-0.2 -0.933 90.9 -97.2-143.1 159.0 -28.9 -5.5 -18.1 41 41 A H S S+ 0 0 8 -2,-0.3 181,-0.8 -3,-0.1 2,-0.4 -0.462 82.3 114.5 -85.5 72.4 -26.0 -4.2 -20.1 42 42 A N > - 0 0 0 -2,-2.2 4,-2.8 1,-0.1 5,-0.2 -0.934 54.3-154.8-141.7 117.8 -24.0 -7.4 -20.3 43 43 A R H > S+ 0 0 105 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.888 96.8 50.2 -56.9 -43.2 -23.4 -9.3 -23.5 44 44 A Y H > S+ 0 0 106 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 112.7 45.5 -65.2 -42.9 -22.9 -12.7 -21.7 45 45 A V H > S+ 0 0 8 224,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.927 117.0 45.0 -63.6 -48.3 -26.1 -12.4 -19.7 46 46 A V H X S+ 0 0 2 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.920 114.1 48.0 -63.3 -47.5 -28.1 -11.3 -22.8 47 47 A D H X S+ 0 0 81 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.874 111.6 53.2 -60.5 -34.7 -26.6 -14.0 -25.1 48 48 A S H X S+ 0 0 36 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.931 112.4 42.1 -63.0 -49.2 -27.4 -16.6 -22.4 49 49 A L H <>S+ 0 0 2 -4,-1.9 5,-2.3 1,-0.2 3,-0.4 0.859 111.6 55.8 -71.5 -36.5 -30.9 -15.6 -22.1 50 50 A R H ><5S+ 0 0 115 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.898 104.6 52.7 -61.6 -41.4 -31.3 -15.3 -25.9 51 51 A E H 3<5S+ 0 0 163 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.763 108.2 53.5 -70.6 -20.3 -30.1 -18.9 -26.4 52 52 A R T 3<5S- 0 0 119 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.350 132.2 -88.5 -93.8 3.9 -32.8 -19.9 -23.8 53 53 A G T < 5S+ 0 0 20 -3,-1.7 -20,-1.1 1,-0.4 2,-0.3 0.482 79.1 138.0 108.1 1.5 -35.6 -18.2 -25.8 54 54 A A E < -e 33 0B 1 -5,-2.3 2,-0.5 -22,-0.2 -1,-0.4 -0.635 39.8-151.4 -68.1 137.5 -35.7 -14.6 -24.5 55 55 A I E -e 34 0B 71 -22,-2.7 -20,-2.9 -2,-0.3 2,-0.5 -0.969 4.8-151.3-116.6 116.5 -36.1 -12.1 -27.4 56 56 A F E +e 35 0B 27 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.770 20.3 174.6 -91.4 122.6 -34.7 -8.7 -26.9 57 57 A I E -e 36 0B 5 -22,-2.5 -20,-3.2 -2,-0.5 3,-0.1 -0.870 30.0-151.5-121.6 158.3 -36.4 -5.7 -28.7 58 58 A E S S+ 0 0 93 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.834 84.1 39.5 -92.0 -40.5 -35.9 -1.9 -28.7 59 59 A Q S > S- 0 0 120 1,-0.1 3,-2.0 -23,-0.0 -1,-0.2 -0.869 74.6-130.9-118.4 145.8 -39.5 -0.9 -29.5 60 60 A I G > S+ 0 0 3 -2,-0.4 3,-2.3 1,-0.3 -1,-0.1 0.762 104.1 72.3 -64.9 -30.9 -42.8 -2.4 -28.4 61 61 A S G 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.565 87.7 65.9 -63.5 -9.1 -44.0 -2.5 -32.0 62 62 A E G < S+ 0 0 100 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.449 87.3 86.8 -80.9 -3.5 -41.5 -5.4 -32.3 63 63 A V S < S- 0 0 7 -3,-2.3 3,-0.1 -4,-0.1 26,-0.1 -0.851 79.1-124.6-106.1 130.1 -43.6 -7.6 -29.9 64 64 A P > - 0 0 60 0, 0.0 3,-1.3 0, 0.0 -2,-0.1 -0.277 38.5 -87.5 -65.1 153.7 -46.5 -9.7 -31.1 65 65 A D T 3 S+ 0 0 118 1,-0.2 24,-0.0 24,-0.1 22,-0.0 -0.352 111.9 20.0 -57.5 140.6 -50.0 -9.3 -29.6 66 66 A G T 3 S+ 0 0 44 1,-0.2 -1,-0.2 -3,-0.1 23,-0.1 0.500 93.6 135.1 80.9 5.8 -50.6 -11.4 -26.4 67 67 A A < - 0 0 15 -3,-1.3 23,-2.7 1,-0.1 2,-0.5 -0.250 61.4-108.6 -80.3 171.3 -47.0 -12.0 -25.7 68 68 A I E - g 0 90B 23 -36,-0.3 -34,-2.8 21,-0.2 2,-0.4 -0.898 37.9-170.6 -98.7 128.7 -45.2 -11.7 -22.3 69 69 A L E -fg 34 91B 0 21,-3.2 23,-2.1 -2,-0.5 2,-0.4 -0.992 8.9-162.9-125.2 131.1 -43.0 -8.6 -22.2 70 70 A I E -fg 35 92B 0 -36,-2.1 -34,-2.6 -2,-0.4 2,-0.3 -0.958 16.8-135.9-111.4 135.2 -40.5 -7.7 -19.4 71 71 A F E -fg 36 93B 1 21,-2.0 23,-1.8 -2,-0.4 -34,-0.1 -0.737 32.7-110.5 -86.8 140.6 -39.2 -4.1 -19.0 72 72 A S > - 0 0 0 -36,-1.4 3,-1.8 -2,-0.3 -33,-0.2 -0.131 29.1-100.6 -68.6 166.9 -35.4 -4.1 -18.4 73 73 A A T 3 S+ 0 0 10 -34,-2.1 23,-2.6 1,-0.3 26,-0.2 0.707 117.3 70.7 -61.8 -22.8 -33.8 -3.1 -15.0 74 74 A H T 3 S- 0 0 22 -35,-0.3 -1,-0.3 21,-0.2 55,-0.1 0.664 103.6-128.5 -64.4 -24.1 -33.1 0.4 -16.4 75 75 A G < - 0 0 3 -3,-1.8 2,-0.3 54,-0.1 54,-0.2 -0.088 15.8-111.4 95.4 171.2 -36.8 1.3 -16.4 76 76 A V - 0 0 2 53,-0.2 53,-0.1 52,-0.1 -5,-0.0 -0.931 25.1-100.3-141.4 161.8 -39.1 2.7 -19.1 77 77 A S > - 0 0 22 -2,-0.3 4,-2.2 1,-0.1 56,-0.2 -0.229 34.6-109.9 -78.3 163.5 -41.1 5.8 -19.8 78 78 A Q H > S+ 0 0 72 54,-2.2 4,-3.1 51,-0.2 5,-0.2 0.907 120.9 57.0 -55.6 -39.5 -44.8 6.3 -19.2 79 79 A A H > S+ 0 0 66 53,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.909 106.9 46.2 -61.7 -43.9 -45.2 6.3 -23.0 80 80 A V H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.931 113.5 50.2 -61.9 -42.0 -43.6 2.8 -23.3 81 81 A R H X S+ 0 0 67 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.903 113.6 44.1 -67.4 -45.3 -45.7 1.6 -20.4 82 82 A N H X S+ 0 0 79 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.916 110.9 54.6 -61.8 -45.3 -48.9 3.0 -21.9 83 83 A E H < S+ 0 0 84 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.907 117.0 37.3 -55.0 -43.9 -47.9 1.6 -25.3 84 84 A A H ><>S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.1 5,-0.7 0.899 116.8 54.6 -69.0 -43.0 -47.5 -1.9 -23.7 85 85 A K H 3<5S+ 0 0 166 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.793 107.1 46.2 -65.5 -37.9 -50.6 -1.3 -21.4 86 86 A S T 3<5S+ 0 0 107 -4,-2.7 -1,-0.3 -5,-0.1 2,-0.2 0.149 108.0 82.1 -95.8 18.3 -53.2 -0.5 -24.0 87 87 A R T < 5S- 0 0 69 -3,-1.4 -3,-0.1 -5,-0.1 -22,-0.0 -0.687 99.1-100.4-117.4 171.7 -51.8 -3.5 -25.9 88 88 A D T 5S+ 0 0 109 -2,-0.2 2,-0.1 2,-0.1 -3,-0.1 0.389 78.6 128.5 -73.8 7.7 -52.5 -7.2 -25.6 89 89 A L < - 0 0 18 -5,-0.7 2,-0.6 -23,-0.1 -21,-0.2 -0.335 57.0-141.6 -85.2 136.6 -49.3 -7.8 -23.5 90 90 A T E -g 68 0B 67 -23,-2.7 -21,-3.2 -2,-0.1 2,-0.5 -0.847 34.8-159.1 -83.5 122.1 -48.7 -9.5 -20.2 91 91 A V E -g 69 0B 48 -2,-0.6 2,-0.4 -23,-0.2 -21,-0.2 -0.897 23.1-177.1-114.5 132.4 -46.1 -7.3 -18.5 92 92 A F E -g 70 0B 9 -23,-2.1 -21,-2.0 -2,-0.5 2,-0.7 -0.982 23.0-139.8-116.1 141.7 -43.6 -7.9 -15.8 93 93 A D E +g 71 0B 43 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.853 23.4 176.3-107.3 111.0 -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 0.386 33.8 140.5 -89.8 10.1 -37.7 -5.8 -13.9 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 2,-0.1 -21,-0.2 -0.193 63.8-106.8 -53.7 133.0 -37.0 -2.0 -13.2 96 96 A C >> - 0 0 19 -23,-2.6 4,-2.6 1,-0.2 3,-1.8 -0.445 20.1-125.3 -62.9 138.9 -34.7 -1.8 -10.3 97 97 A P H 3> S+ 0 0 31 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.816 111.8 58.0 -51.6 -30.9 -36.5 -0.6 -7.1 98 98 A L H 3> S+ 0 0 47 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.718 107.5 45.2 -77.2 -21.7 -33.7 2.2 -6.8 99 99 A V H X> S+ 0 0 5 -3,-1.8 4,-2.4 -26,-0.2 3,-0.7 0.849 110.1 54.3 -80.4 -45.9 -34.6 3.5 -10.3 100 100 A T H 3X S+ 0 0 40 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.880 101.4 60.7 -54.2 -37.1 -38.3 3.3 -9.5 101 101 A K H 3X S+ 0 0 107 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.887 107.3 44.6 -56.8 -41.9 -37.6 5.5 -6.4 102 102 A V H S+ 0 0 7 -4,-2.3 5,-2.2 1,-0.2 4,-0.4 0.913 109.6 52.8 -61.8 -41.7 -42.7 17.0 -9.6 110 110 A S H ><5S+ 0 0 5 -4,-2.8 3,-1.1 1,-0.2 -1,-0.2 0.904 108.3 50.4 -58.3 -44.3 -44.7 16.5 -12.8 111 111 A R H 3<5S+ 0 0 168 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 109.9 49.0 -65.3 -32.3 -48.1 16.5 -10.8 112 112 A R T 3<5S- 0 0 164 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.471 111.3-124.3 -83.0 -3.0 -47.2 19.7 -9.0 113 113 A G T < 5 + 0 0 23 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.747 63.3 142.9 59.6 28.5 -46.3 21.3 -12.3 114 114 A E < - 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0 0 4 -4,-2.9 3,-2.4 -5,-0.2 -1,-0.3 -0.742 67.2-179.7-131.8 77.8 -30.2 27.9 -8.6 186 186 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.724 81.5 53.7 -63.6 -19.4 -29.8 28.5 -4.9 187 187 A K T 3 S+ 0 0 121 -29,-0.3 -26,-0.3 2,-0.1 -5,-0.1 0.425 79.0 130.7 -87.7 -0.2 -33.5 27.4 -4.2 188 188 A I < - 0 0 6 -3,-2.4 2,-0.4 -7,-0.2 -26,-0.2 -0.258 46.8-146.9 -60.3 141.6 -33.2 24.0 -6.0 189 189 A V B +j 162 0C 80 -28,-2.6 -26,-2.1 313,-0.0 -1,-0.1 -0.871 33.1 132.9-110.1 139.2 -34.4 21.0 -4.0 190 190 A G - 0 0 8 -2,-0.4 310,-0.2 -28,-0.2 -26,-0.1 -0.918 55.7 -55.9-161.3-168.3 -32.9 17.5 -4.2 191 191 A P - 0 0 10 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 -0.230 63.1 -97.0 -71.3 168.1 -31.6 14.5 -2.2 192 192 A R S S- 0 0 53 2,-0.1 3,-0.1 307,-0.1 -2,-0.0 0.882 108.4 -12.6 -51.4 -42.4 -28.9 15.1 0.4 193 193 A K S S- 0 0 106 1,-0.4 2,-0.2 3,-0.1 -15,-0.0 0.559 115.9 -55.7-130.4 -73.1 -26.1 14.1 -2.1 194 194 A D - 0 0 25 2,-0.2 -1,-0.4 -4,-0.1 -2,-0.1 -0.858 42.2 -99.5-160.7-175.6 -27.4 12.4 -5.3 195 195 A D + 0 0 13 -2,-0.2 2,-0.1 -29,-0.2 -93,-0.1 0.188 69.7 136.6-101.6 15.7 -29.6 9.4 -6.5 196 196 A I - 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0 0 0 -4,-2.6 48,-0.2 1,-0.1 3,-0.1 -0.634 57.0-154.8 -93.3 144.5 -2.5 -2.3 -8.8 215 215 A E S S+ 0 0 79 46,-2.3 26,-1.2 -2,-0.3 2,-0.4 0.799 89.9 25.5 -79.9 -33.9 -0.5 -1.1 -11.8 216 216 A V E S-cd 241 262A 6 45,-1.0 47,-2.8 24,-0.2 2,-0.4 -0.989 72.2-156.7-133.3 140.2 -3.2 -2.2 -14.3 217 217 A V E -cd 242 263A 0 24,-2.2 26,-2.2 -2,-0.4 2,-0.5 -0.982 0.4-161.2-122.2 126.9 -6.9 -2.7 -13.6 218 218 A L E -cd 243 264A 0 45,-3.0 47,-2.4 -2,-0.4 2,-0.6 -0.924 7.3-163.0-102.1 128.9 -9.2 -5.0 -15.7 219 219 A V E -cd 244 265A 0 24,-3.2 26,-2.8 -2,-0.5 2,-0.6 -0.953 11.5-143.9-113.3 117.9 -12.9 -4.1 -15.3 220 220 A V E +cd 245 266A 0 45,-2.6 47,-2.6 -2,-0.6 2,-0.3 -0.703 54.6 98.2 -82.7 122.8 -15.2 -6.9 -16.5 221 221 A G S S- 0 0 0 24,-2.9 -179,-0.1 -2,-0.6 2,-0.1 -0.858 70.0 -85.3 169.6 161.0 -18.3 -5.4 -18.1 222 222 A S > - 0 0 4 -181,-0.8 3,-1.8 -2,-0.3 7,-0.2 -0.379 38.4-110.4 -86.6 161.8 -19.8 -4.6 -21.5 223 223 A K T 3 S+ 0 0 127 1,-0.3 -1,-0.1 -2,-0.1 -181,-0.1 0.729 115.8 51.6 -63.3 -25.2 -19.1 -1.4 -23.5 224 224 A N T 3 S+ 0 0 70 -183,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.288 81.2 107.7 -98.8 13.4 -22.6 -0.1 -23.0 225 225 A S <> - 0 0 1 -3,-1.8 4,-2.3 1,-0.2 5,-0.2 -0.780 52.9-163.4 -93.7 112.6 -22.6 -0.5 -19.3 226 226 A S H > S+ 0 0 9 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.963 88.3 47.6 -57.4 -52.5 -22.4 3.0 -17.7 227 227 A N H > S+ 0 0 15 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.869 111.5 51.1 -63.2 -37.2 -21.4 1.8 -14.2 228 228 A S H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.932 109.9 49.8 -64.3 -40.9 -18.7 -0.5 -15.6 229 229 A N H X S+ 0 0 52 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.894 106.2 57.1 -65.8 -34.0 -17.2 2.4 -17.8 230 230 A R H X S+ 0 0 32 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.875 104.7 52.3 -67.8 -32.3 -17.2 4.6 -14.6 231 231 A L H X S+ 0 0 2 -4,-1.5 4,-1.7 -3,-0.2 -1,-0.2 0.931 112.0 44.4 -68.2 -44.5 -15.0 2.0 -12.8 232 232 A A H X S+ 0 0 5 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.916 113.4 51.1 -60.6 -46.6 -12.5 2.0 -15.7 233 233 A E H X S+ 0 0 41 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.899 106.8 54.4 -57.1 -46.1 -12.5 5.8 -16.0 234 234 A L H X S+ 0 0 18 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.906 110.7 44.5 -57.4 -47.1 -11.9 6.1 -12.2 235 235 A A H ><>S+ 0 0 0 -4,-1.7 5,-2.2 1,-0.2 3,-0.6 0.876 112.1 53.9 -66.1 -37.2 -8.7 3.9 -12.3 236 236 A Q H ><5S+ 0 0 101 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.902 105.3 52.2 -61.6 -41.5 -7.5 5.7 -15.5 237 237 A R H 3<5S+ 0 0 144 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.663 103.3 59.2 -72.7 -13.0 -7.8 9.1 -13.8 238 238 A M T <<5S- 0 0 69 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.427 125.7-105.5 -93.3 1.2 -5.7 7.7 -11.0 239 239 A G T < 5S+ 0 0 65 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.614 79.8 126.9 92.0 12.7 -3.0 7.1 -13.6 240 240 A K < - 0 0 55 -5,-2.2 2,-0.4 -24,-0.0 -1,-0.3 -0.763 67.9-111.9 -99.3 145.8 -3.3 3.3 -13.9 241 241 A R E -c 216 0A 110 -26,-1.2 -24,-2.2 -2,-0.3 2,-0.4 -0.668 45.1-175.5 -71.2 131.8 -3.9 1.6 -17.3 242 242 A A E -c 217 0A 7 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.992 11.4-165.4-134.9 140.1 -7.4 0.3 -17.1 243 243 A F E -c 218 0A 42 -26,-2.2 -24,-3.2 -2,-0.4 2,-0.6 -0.988 15.9-142.2-128.0 137.7 -9.3 -1.8 -19.7 244 244 A L E +c 219 0A 21 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.851 33.4 178.8 -95.0 120.4 -13.0 -2.6 -19.9 245 245 A I E -c 220 0A 1 -26,-2.8 -24,-2.9 -2,-0.6 3,-0.1 -0.952 35.7-153.8-131.5 146.1 -13.4 -6.2 -21.1 246 246 A D S S- 0 0 10 -2,-0.4 2,-0.3 1,-0.2 -202,-0.1 0.843 79.0 -21.6 -82.1 -36.1 -16.3 -8.6 -21.8 247 247 A D S > S- 0 0 39 -26,-0.1 3,-1.8 30,-0.1 4,-0.4 -0.943 77.0 -75.3-164.2-178.4 -14.3 -11.7 -21.1 248 248 A A G > S+ 0 0 18 -2,-0.3 3,-1.5 1,-0.3 26,-0.0 0.787 115.4 67.6 -63.0 -27.8 -10.9 -13.4 -20.8 249 249 A K G 3 S+ 0 0 196 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.727 92.5 63.3 -60.7 -24.2 -10.4 -13.6 -24.6 250 250 A D G < S+ 0 0 53 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.637 75.3 109.8 -78.6 -18.6 -10.1 -9.8 -24.7 251 251 A I < - 0 0 10 -3,-1.5 2,-0.5 -4,-0.4 3,-0.0 -0.449 58.6-151.4 -66.2 121.7 -6.9 -9.7 -22.5 252 252 A Q >> - 0 0 117 -2,-0.3 3,-1.7 1,-0.1 4,-0.6 -0.804 14.1-134.5 -94.8 130.8 -3.9 -8.7 -24.5 253 253 A E H >> S+ 0 0 117 -2,-0.5 4,-1.1 1,-0.3 3,-1.0 0.834 102.7 63.5 -54.8 -34.1 -0.7 -10.1 -23.2 254 254 A E H 34 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.811 90.9 67.8 -61.4 -25.5 1.1 -6.7 -23.6 255 255 A W H <4 S+ 0 0 23 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.840 114.5 25.7 -69.5 -30.9 -1.3 -5.2 -21.0 256 256 A V H X< S+ 0 0 8 -3,-1.0 3,-2.3 -4,-0.6 -1,-0.2 0.449 84.9 129.6-113.4 4.2 0.2 -7.3 -18.2 257 257 A K T 3< S- 0 0 130 -4,-1.1 3,-0.1 1,-0.3 -3,-0.0 -0.305 90.1 -1.0 -56.3 126.7 3.8 -8.1 -19.5 258 258 A E T 3 S+ 0 0 165 1,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.705 97.5 143.3 71.0 10.5 6.2 -7.2 -16.7 259 259 A V < - 0 0 18 -3,-2.3 -1,-0.2 1,-0.1 3,-0.2 -0.769 35.7-166.5 -89.6 130.4 3.4 -6.1 -14.4 260 260 A K S S+ 0 0 167 -2,-0.4 -258,-2.4 1,-0.3 2,-0.4 0.700 75.4 27.0 -89.3 -22.2 3.9 -6.9 -10.8 261 261 A C E -a 2 0A 10 -260,-0.2 -46,-2.3 26,-0.0 -45,-1.0 -0.916 63.9-176.7-143.1 118.6 0.3 -6.3 -9.6 262 262 A V E -ad 3 216A 0 -260,-2.9 -258,-2.6 -2,-0.4 2,-0.3 -0.920 12.1-154.2-112.4 138.1 -2.9 -6.6 -11.7 263 263 A G E -ad 4 217A 0 -47,-2.8 -45,-3.0 -2,-0.4 2,-0.4 -0.882 5.8-163.5-111.1 147.0 -6.3 -5.7 -10.2 264 264 A V E +ad 5 218A 0 -260,-2.3 -258,-2.5 -2,-0.3 2,-0.3 -0.992 15.7 160.0-129.3 134.1 -9.7 -7.1 -11.4 265 265 A T E - 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0 0 1 -47,-2.6 3,-0.6 -2,-0.3 29,-0.2 -0.518 36.0-130.1 -61.2 145.7 -36.2 8.8 13.5 477 167 B T T 3 S+ 0 0 7 1,-0.2 30,-1.7 -2,-0.2 33,-0.2 0.670 96.5 54.1 -78.5 -17.2 -37.2 6.0 11.1 478 168 B T T 3 S+ 0 0 22 28,-0.2 -1,-0.2 32,-0.1 62,-0.2 -0.150 80.8 119.3-117.7 38.4 -40.3 4.8 12.9 479 169 B L S < S- 0 0 2 -3,-0.6 2,-0.4 1,-0.1 3,-0.1 -0.447 75.1 -81.5 -92.5 168.8 -42.3 8.0 13.3 480 170 B S > - 0 0 14 1,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.614 33.0-146.0 -61.7 124.9 -45.8 9.0 12.0 481 171 B V H > S+ 0 0 18 -2,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.947 98.0 47.2 -60.1 -48.9 -45.4 10.1 8.4 482 172 B D H > S+ 0 0 84 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 113.8 44.6 -58.0 -50.3 -48.2 12.7 8.9 483 173 B D H > S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.888 113.0 51.5 -65.0 -36.9 -46.9 14.2 12.2 484 174 B T H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.893 103.6 58.7 -69.2 -36.2 -43.3 14.3 10.9 485 175 B S H X S+ 0 0 45 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.915 105.1 51.3 -58.6 -41.6 -44.5 16.2 7.8 486 176 B D H X S+ 0 0 85 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.889 110.2 47.6 -62.2 -36.9 -45.9 18.9 10.1 487 177 B V H X S+ 0 0 2 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.895 111.6 50.5 -73.8 -38.6 -42.6 19.2 12.0 488 178 B I H X S+ 0 0 12 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.923 107.8 52.8 -66.2 -40.1 -40.6 19.4 8.7 489 179 B D H X S+ 0 0 92 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.936 110.7 49.1 -59.5 -44.2 -43.0 22.1 7.4 490 180 B A H X S+ 0 0 4 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.898 109.5 51.0 -59.3 -47.1 -42.2 24.0 10.6 491 181 B L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 7,-0.2 0.878 110.7 48.3 -56.5 -42.7 -38.4 23.5 10.2 492 182 B R H < S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.837 114.0 45.8 -76.7 -29.2 -38.4 24.8 6.6 493 183 B K H < S+ 0 0 178 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.854 119.2 41.4 -72.2 -37.7 -40.5 27.9 7.5 494 184 B R H < S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.888 130.0 26.4 -79.6 -39.7 -38.4 28.7 10.6 495 185 B F >< - 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