==== 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 25-NOV-11 3UTD . 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) . 27773.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 68.0 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 . 32 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.7 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 0 0 2 2 1 3 0 0 2 2 2 1 3 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,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 130.5 2.5 -11.2 -10.8 2 2 A Q E -a 261 0A 87 258,-2.9 260,-3.0 285,-0.2 2,-0.5 -0.751 360.0-151.4 -90.6 138.0 0.0 -10.6 -7.9 3 3 A I E -ab 262 290A 0 286,-0.5 288,-3.0 -2,-0.4 2,-0.4 -0.953 12.3-169.6-109.9 122.7 -3.8 -10.6 -8.7 4 4 A L E -ab 263 291A 3 258,-2.7 260,-2.2 -2,-0.5 2,-0.4 -0.898 9.2-149.0-111.4 140.8 -6.0 -8.4 -6.4 5 5 A L E -ab 264 292A 15 286,-2.2 288,-3.0 -2,-0.4 260,-0.2 -0.959 16.6-126.9-110.7 132.6 -9.8 -8.5 -6.5 6 6 A A - 0 0 0 258,-2.4 201,-0.1 -2,-0.4 289,-0.1 -0.367 28.3-119.1 -72.7 149.5 -11.9 -5.4 -5.7 7 7 A N S S+ 0 0 56 287,-0.2 289,-0.5 1,-0.2 2,-0.2 -0.927 93.1 27.1-142.9 120.3 -14.5 -5.7 -3.1 8 8 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.507 88.0 144.3 -77.6 159.4 -17.4 -5.2 -3.7 9 9 A R + 0 0 56 -2,-0.2 258,-0.2 2,-0.1 263,-0.1 -0.953 38.8 20.7-145.9 165.3 -17.5 -6.1 -7.3 10 10 A G S S+ 0 0 7 256,-2.3 256,-0.1 -2,-0.3 193,-0.1 -0.218 94.3 28.5 77.0-160.0 -20.0 -7.7 -9.7 11 11 A F - 0 0 65 259,-0.6 258,-0.2 258,-0.1 2,-0.2 0.059 57.8-160.5 -52.5 134.4 -23.7 -8.2 -9.4 12 12 A C > - 0 0 18 256,-1.3 4,-1.9 1,-0.0 5,-0.2 -0.426 36.8 -97.3 -94.1-177.5 -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 0.863 121.2 53.4 -74.4 -30.9 -29.3 -6.5 -6.1 14 14 A G H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 110.7 46.3 -71.0 -39.4 -31.2 -4.9 -9.0 15 15 A V H > S+ 0 0 12 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.924 111.0 51.2 -71.6 -40.7 -29.3 -7.0 -11.6 16 16 A D H X S+ 0 0 83 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.943 114.1 46.2 -62.7 -40.6 -29.7 -10.3 -9.7 17 17 A R H X S+ 0 0 16 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.922 112.3 49.2 -64.5 -46.5 -33.5 -9.5 -9.5 18 18 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.911 112.6 46.5 -67.7 -41.2 -33.8 -8.5 -13.2 19 19 A I H X S+ 0 0 12 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.952 112.3 51.6 -66.3 -40.2 -32.0 -11.6 -14.5 20 20 A S H X S+ 0 0 30 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.866 104.1 57.8 -64.4 -33.6 -34.1 -13.8 -12.2 21 21 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.937 111.2 41.3 -62.9 -47.2 -37.3 -12.2 -13.5 22 22 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.926 116.5 48.8 -64.7 -46.6 -36.5 -13.2 -17.1 23 23 A E H X S+ 0 0 60 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.926 114.0 46.0 -60.6 -43.2 -35.2 -16.7 -16.2 24 24 A N H X S+ 0 0 45 -4,-2.9 4,-2.5 -5,-0.3 5,-0.2 0.911 110.6 52.3 -72.7 -39.3 -38.3 -17.4 -14.1 25 25 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.5 0.893 110.7 49.0 -56.8 -46.2 -40.6 -16.1 -16.8 26 26 A L H X S+ 0 0 16 -4,-2.6 4,-1.8 3,-0.2 -2,-0.2 0.908 113.6 47.0 -56.7 -45.3 -38.9 -18.5 -19.3 27 27 A A H < S+ 0 0 87 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.860 119.6 38.2 -68.2 -34.8 -39.3 -21.4 -16.8 28 28 A I H < S+ 0 0 97 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.903 134.2 19.1 -83.5 -43.9 -43.0 -20.7 -16.0 29 29 A Y H < S- 0 0 118 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.575 97.7-136.0-104.5 -14.9 -44.3 -19.6 -19.5 30 30 A G < - 0 0 29 -4,-1.8 -1,-0.2 -5,-0.5 -3,-0.1 -0.052 47.2 -3.7 75.7 173.7 -41.7 -21.0 -21.9 31 31 A A S S+ 0 0 67 21,-0.1 2,-0.1 -4,-0.1 23,-0.1 -0.503 98.9 50.1 -75.7 152.1 -40.1 -19.3 -24.8 32 32 A P + 0 0 69 0, 0.0 2,-0.4 0, 0.0 36,-0.4 0.584 57.5 166.0 -89.1 152.3 -40.5 -16.7 -26.2 33 33 A I E -e 54 0B 0 20,-1.3 22,-2.7 -2,-0.1 2,-0.3 -1.000 28.0-140.3-121.0 127.8 -40.3 -14.0 -23.6 34 34 A Y E -ef 55 69B 33 34,-2.4 36,-2.3 -2,-0.4 2,-0.4 -0.665 14.2-164.2 -90.7 141.8 -39.9 -10.5 -24.9 35 35 A V E -ef 56 70B 0 20,-2.6 22,-2.9 -2,-0.3 2,-0.9 -0.991 19.0-133.8-129.5 125.7 -37.6 -8.1 -23.1 36 36 A R E S-ef 57 71B 28 34,-2.8 36,-1.4 -2,-0.4 22,-0.2 -0.723 80.1 -18.3 -80.9 107.9 -37.6 -4.3 -23.7 37 37 A H S S- 0 0 24 20,-3.1 20,-0.2 -2,-0.9 21,-0.1 0.334 111.9 -44.3 77.0 158.1 -33.9 -3.4 -24.1 38 38 A E - 0 0 46 1,-0.2 3,-0.1 18,-0.1 35,-0.1 -0.298 59.0-128.5 -47.8 127.6 -31.0 -5.6 -22.9 39 39 A V S S- 0 0 0 1,-0.2 34,-2.2 33,-0.2 2,-0.3 0.889 91.8 -5.0 -57.5 -37.5 -32.2 -6.7 -19.4 40 40 A V S S- 0 0 2 2,-0.2 2,-2.2 32,-0.1 -1,-0.2 -0.944 90.0 -97.8-142.7 159.5 -28.8 -5.5 -18.1 41 41 A H S S+ 0 0 9 -2,-0.3 181,-0.8 -3,-0.1 2,-0.4 -0.450 81.7 117.5 -85.9 72.4 -25.9 -4.2 -20.2 42 42 A N > - 0 0 0 -2,-2.2 4,-2.9 1,-0.1 5,-0.3 -0.940 53.4-156.2-139.8 117.0 -23.9 -7.4 -20.3 43 43 A R H > S+ 0 0 103 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.912 96.5 49.9 -57.8 -43.7 -23.2 -9.2 -23.6 44 44 A Y H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 113.6 45.4 -63.6 -44.7 -22.8 -12.7 -21.8 45 45 A V H > S+ 0 0 7 224,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.943 115.6 46.2 -63.3 -45.8 -26.1 -12.3 -19.8 46 46 A V H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.935 113.9 47.1 -67.2 -46.8 -28.0 -11.1 -22.8 47 47 A D H X S+ 0 0 77 -4,-2.9 4,-1.9 -5,-0.3 -1,-0.2 0.885 111.6 53.3 -59.2 -38.9 -26.6 -13.9 -25.2 48 48 A S H X S+ 0 0 37 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.915 111.9 43.9 -59.0 -46.3 -27.3 -16.6 -22.5 49 49 A L H <>S+ 0 0 2 -4,-2.1 5,-2.3 1,-0.2 3,-0.4 0.884 110.5 54.4 -71.5 -39.4 -30.9 -15.5 -22.2 50 50 A R H ><5S+ 0 0 118 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.911 105.0 54.8 -55.5 -43.7 -31.3 -15.2 -26.0 51 51 A E H 3<5S+ 0 0 161 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.773 107.8 51.0 -68.7 -23.4 -30.1 -18.9 -26.4 52 52 A R T 3<5S- 0 0 112 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.406 133.3 -86.9 -94.2 -0.2 -32.9 -19.9 -23.9 53 53 A G T < 5S+ 0 0 20 -3,-1.8 -20,-1.3 1,-0.4 2,-0.3 0.475 79.0 139.0 115.1 2.0 -35.6 -18.0 -25.8 54 54 A A E < -e 33 0B 1 -5,-2.3 2,-0.5 -22,-0.2 -1,-0.4 -0.642 38.2-153.2 -73.2 135.1 -35.6 -14.4 -24.6 55 55 A I E -e 34 0B 69 -22,-2.7 -20,-2.6 -2,-0.3 2,-0.5 -0.975 5.5-148.6-112.5 117.2 -36.1 -11.9 -27.5 56 56 A F E +e 35 0B 28 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.777 21.8 177.0 -89.2 121.6 -34.6 -8.4 -26.9 57 57 A I E -e 36 0B 4 -22,-2.9 -20,-3.1 -2,-0.5 3,-0.1 -0.883 29.4-157.2-121.0 155.9 -36.5 -5.6 -28.6 58 58 A E S S+ 0 0 97 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.839 81.8 41.1 -97.9 -38.6 -36.0 -1.8 -28.6 59 59 A Q S > S- 0 0 121 1,-0.1 3,-2.2 -23,-0.0 -1,-0.2 -0.854 73.0-132.7-114.7 147.2 -39.6 -0.8 -29.5 60 60 A I G > S+ 0 0 2 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.803 104.2 73.1 -64.3 -27.2 -42.9 -2.2 -28.4 61 61 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -3,-0.0 23,-0.0 0.610 88.7 64.8 -65.8 -8.1 -44.1 -2.3 -32.0 62 62 A E G < S+ 0 0 97 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.474 87.0 85.9 -84.3 -4.2 -41.6 -5.3 -32.2 63 63 A V S < S- 0 0 5 -3,-2.4 3,-0.1 -4,-0.1 26,-0.1 -0.852 79.2-124.7-107.6 129.8 -43.7 -7.4 -29.8 64 64 A P > - 0 0 61 0, 0.0 3,-1.4 0, 0.0 -2,-0.1 -0.340 38.5 -88.6 -64.9 151.8 -46.6 -9.5 -31.0 65 65 A D T 3 S+ 0 0 115 1,-0.2 24,-0.0 24,-0.1 22,-0.0 -0.248 113.2 21.9 -55.6 140.9 -50.1 -9.1 -29.4 66 66 A G T 3 S+ 0 0 43 1,-0.2 -1,-0.2 -3,-0.1 23,-0.1 0.472 93.3 138.0 81.3 0.9 -50.6 -11.3 -26.3 67 67 A A < - 0 0 15 -3,-1.4 23,-2.2 1,-0.1 2,-0.5 -0.326 59.7-113.0 -78.1 162.1 -46.9 -11.7 -25.6 68 68 A I E - g 0 90B 24 -36,-0.4 -34,-2.4 21,-0.2 2,-0.4 -0.867 37.8-171.6 -92.5 124.9 -45.2 -11.6 -22.2 69 69 A L E -fg 34 91B 0 21,-2.9 23,-2.2 -2,-0.5 2,-0.4 -0.987 9.7-161.7-120.0 133.3 -42.9 -8.5 -22.1 70 70 A I E -fg 35 92B 0 -36,-2.3 -34,-2.8 -2,-0.4 2,-0.3 -0.943 16.5-135.0-112.8 134.8 -40.4 -7.7 -19.3 71 71 A F E -fg 36 93B 1 21,-2.0 23,-1.5 -2,-0.4 -34,-0.1 -0.733 32.1-112.3 -83.5 145.2 -39.0 -4.1 -18.9 72 72 A S > - 0 0 1 -36,-1.4 3,-1.9 -2,-0.3 -33,-0.2 -0.151 29.9 -97.2 -75.5 171.7 -35.2 -4.0 -18.3 73 73 A A T 3 S+ 0 0 11 -34,-2.2 23,-2.6 1,-0.3 26,-0.2 0.746 119.5 66.7 -58.4 -28.3 -33.5 -3.0 -15.1 74 74 A H T 3 S- 0 0 21 -35,-0.3 -1,-0.3 21,-0.2 55,-0.2 0.655 103.6-130.1 -68.8 -21.5 -33.0 0.5 -16.5 75 75 A G < - 0 0 4 -3,-1.9 2,-0.3 54,-0.1 54,-0.2 -0.101 14.6-106.6 93.7 169.9 -36.7 1.3 -16.5 76 76 A V - 0 0 2 53,-0.2 53,-0.1 52,-0.1 -5,-0.0 -0.926 26.5-101.9-137.9 161.7 -39.1 2.7 -19.2 77 77 A S > - 0 0 21 -2,-0.3 4,-2.4 1,-0.1 56,-0.2 -0.261 35.0-110.5 -76.6 162.2 -41.0 5.9 -19.9 78 78 A Q H > S+ 0 0 70 54,-2.3 4,-2.9 51,-0.3 5,-0.2 0.887 120.5 58.3 -58.1 -36.5 -44.7 6.3 -19.2 79 79 A A H > S+ 0 0 70 53,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.925 107.5 45.6 -63.5 -43.0 -45.1 6.4 -23.0 80 80 A V H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.945 112.9 49.5 -60.4 -45.6 -43.6 3.0 -23.3 81 81 A R H X S+ 0 0 67 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.873 113.8 46.7 -68.0 -36.5 -45.6 1.6 -20.4 82 82 A N H X S+ 0 0 81 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.878 108.5 54.5 -70.8 -37.9 -48.8 3.0 -21.9 83 83 A E H < S+ 0 0 79 -4,-2.5 4,-0.5 -5,-0.2 -2,-0.2 0.902 116.0 39.1 -59.3 -43.5 -47.9 1.6 -25.4 84 84 A A H ><>S+ 0 0 0 -4,-2.5 5,-0.9 2,-0.2 3,-0.6 0.894 116.3 52.9 -62.9 -46.8 -47.5 -1.9 -23.8 85 85 A K H 3<5S+ 0 0 166 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.716 108.8 49.1 -65.0 -27.2 -50.6 -1.2 -21.6 86 86 A S T 3<5S+ 0 0 96 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.608 109.3 64.0 -88.4 -22.3 -52.7 -0.3 -24.6 87 87 A R T < 5S- 0 0 67 -3,-0.6 -3,-0.1 -4,-0.5 -22,-0.0 -0.241 105.5 -91.7 -92.9-169.2 -51.6 -3.4 -26.4 88 88 A D T 5S+ 0 0 105 -2,-0.1 -3,-0.1 2,-0.1 2,-0.1 0.340 74.8 138.2 -89.0 8.7 -52.3 -6.9 -25.4 89 89 A L < - 0 0 17 -5,-0.9 2,-0.7 -23,-0.1 -21,-0.2 -0.295 50.5-144.3 -81.4 133.1 -49.1 -7.5 -23.4 90 90 A T E -g 68 0B 71 -23,-2.2 -21,-2.9 -2,-0.1 2,-0.5 -0.844 34.3-158.2 -79.9 117.3 -48.6 -9.3 -20.0 91 91 A V E -g 69 0B 49 -2,-0.7 2,-0.4 -23,-0.2 -21,-0.2 -0.840 21.9-174.6-108.8 130.6 -45.9 -7.1 -18.5 92 92 A F E -g 70 0B 19 -23,-2.2 -21,-2.0 -2,-0.5 2,-0.7 -0.987 23.1-139.0-113.9 140.6 -43.5 -7.9 -15.7 93 93 A D E +g 71 0B 42 -2,-0.4 -21,-0.1 -23,-0.2 -23,-0.1 -0.815 26.7 173.0-107.2 107.1 -41.4 -5.0 -14.6 94 94 A A + 0 0 0 -23,-1.5 -1,-0.1 -2,-0.7 -76,-0.1 0.344 33.7 138.4 -91.5 11.0 -37.7 -5.8 -13.9 95 95 A T - 0 0 3 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.281 66.0-104.2 -51.4 135.2 -36.9 -2.0 -13.3 96 96 A C >> - 0 0 18 -23,-2.6 4,-2.3 1,-0.2 3,-1.7 -0.355 20.1-126.2 -62.2 138.4 -34.6 -1.8 -10.3 97 97 A P H 3> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.842 111.5 59.8 -52.7 -28.4 -36.4 -0.6 -7.2 98 98 A L H 3> S+ 0 0 47 2,-0.2 4,-0.6 1,-0.2 -2,-0.1 0.685 107.4 44.6 -78.3 -19.2 -33.7 2.2 -6.9 99 99 A V H <> S+ 0 0 3 -3,-1.7 4,-2.3 2,-0.2 3,-0.4 0.863 109.1 55.3 -81.6 -46.5 -34.7 3.6 -10.3 100 100 A T H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.869 102.1 59.2 -51.6 -37.6 -38.4 3.3 -9.5 101 101 A K H X S+ 0 0 98 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.909 108.2 44.6 -57.7 -45.6 -37.6 5.5 -6.4 102 102 A V H X S+ 0 0 0 -4,-0.6 4,-2.0 -3,-0.4 3,-0.2 0.920 109.7 55.3 -65.5 -37.3 -36.3 8.3 -8.7 103 103 A H H X S+ 0 0 8 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.913 103.1 55.9 -64.0 -39.3 -39.3 7.9 -11.1 104 104 A M H X S+ 0 0 97 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.863 108.0 49.6 -62.8 -37.7 -41.8 8.5 -8.2 105 105 A E H X S+ 0 0 43 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.865 110.9 47.3 -68.5 -40.1 -40.0 11.8 -7.5 106 106 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.924 112.0 51.6 -64.6 -38.7 -40.1 13.0 -11.2 107 107 A A H X S+ 0 0 27 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.890 109.0 51.2 -65.0 -41.4 -43.8 11.9 -11.2 108 108 A R H X S+ 0 0 65 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.915 111.2 47.3 -60.5 -44.7 -44.4 14.0 -8.1 109 109 A A H X>S+ 0 0 6 -4,-2.2 5,-2.3 1,-0.2 4,-0.6 0.899 110.8 51.7 -64.6 -40.9 -42.8 17.1 -9.6 110 110 A S H ><5S+ 0 0 5 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.925 106.9 52.8 -61.4 -47.8 -44.7 16.7 -12.8 111 111 A R H 3<5S+ 0 0 174 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.804 110.9 47.9 -58.8 -31.5 -48.0 16.5 -11.0 112 112 A R H 3<5S- 0 0 161 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.547 109.1-125.7 -79.7 -8.6 -47.1 19.8 -9.2 113 113 A G T <<5 + 0 0 24 -3,-1.4 2,-0.4 -4,-0.6 -3,-0.2 0.748 63.5 142.5 60.8 26.8 -46.1 21.4 -12.5 114 114 A E < - 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0 0 14 1,-0.1 -29,-0.2 -28,-0.1 -28,-0.2 -0.406 57.8-118.2 -64.6 132.1 -26.5 7.3 -7.3 197 197 A C > - 0 0 21 -30,-1.9 4,-2.5 -2,-0.1 5,-0.2 -0.266 13.6-109.5 -80.9 164.4 -27.2 3.9 -6.0 198 198 A Y H > S+ 0 0 56 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 118.0 53.0 -52.5 -40.8 -25.4 1.9 -3.2 199 199 A A H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 110.9 45.1 -69.7 -40.9 -23.9 -0.5 -5.6 200 200 A T H > S+ 0 0 4 -33,-0.2 4,-2.2 2,-0.2 5,-0.2 0.946 115.9 46.8 -65.8 -50.1 -22.4 2.3 -7.9 201 201 A T H X S+ 0 0 51 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.947 115.2 46.9 -57.2 -44.6 -21.0 4.2 -4.9 202 202 A N H X S+ 0 0 17 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.903 110.7 49.8 -71.6 -39.5 -19.5 1.1 -3.4 203 203 A R H X S+ 0 0 2 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.876 111.3 50.2 -68.5 -31.2 -17.9 -0.2 -6.5 204 204 A Q H X S+ 0 0 6 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.933 110.8 48.5 -68.7 -41.7 -16.3 3.1 -7.1 205 205 A E H X S+ 0 0 79 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.924 113.8 49.0 -59.5 -44.2 -15.0 3.2 -3.6 206 206 A A H X S+ 0 0 7 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.891 109.8 48.9 -64.3 -40.4 -13.7 -0.3 -4.1 207 207 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.852 107.3 56.7 -72.4 -29.1 -11.9 0.4 -7.4 208 208 A R H X S+ 0 0 87 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.958 109.9 44.6 -60.9 -45.3 -10.3 3.5 -5.9 209 209 A A H X S+ 0 0 47 -4,-1.8 4,-0.7 1,-0.2 3,-0.3 0.928 114.4 50.3 -66.3 -40.5 -8.8 1.2 -3.2 210 210 A L H >X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-1.2 0.920 108.0 51.7 -60.2 -46.0 -7.8 -1.3 -5.8 211 211 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.732 99.7 63.8 -69.5 -21.4 -6.1 1.3 -8.0 212 212 A E H 3< S+ 0 0 141 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.746 117.1 29.2 -70.6 -24.6 -4.0 2.5 -5.1 213 213 A Q H << S+ 0 0 112 -3,-1.2 2,-0.2 -4,-0.7 -2,-0.2 0.731 110.7 72.7-100.2 -35.1 -2.4 -1.0 -5.0 214 214 A A < - 0 0 0 -4,-2.6 48,-0.2 -5,-0.1 3,-0.1 -0.630 56.6-156.0 -96.6 145.0 -2.5 -2.2 -8.7 215 215 A E S S+ 0 0 82 46,-2.5 26,-0.9 -2,-0.2 2,-0.3 0.794 89.5 25.0 -83.7 -34.8 -0.5 -1.0 -11.7 216 216 A V E S-cd 241 262A 6 45,-1.1 47,-2.8 24,-0.2 2,-0.4 -0.985 72.6-156.6-131.1 140.2 -3.1 -2.2 -14.2 217 217 A V E -cd 242 263A 0 24,-2.3 26,-2.1 -2,-0.3 2,-0.5 -0.980 0.3-160.2-120.1 131.3 -6.9 -2.6 -13.6 218 218 A L E -cd 243 264A 0 45,-2.6 47,-2.6 -2,-0.4 2,-0.6 -0.945 7.1-160.8-104.9 129.6 -9.2 -4.9 -15.6 219 219 A V E -cd 244 265A 0 24,-3.2 26,-2.7 -2,-0.5 2,-0.6 -0.961 10.7-144.5-111.9 114.9 -12.9 -4.1 -15.4 220 220 A V E +cd 245 266A 0 45,-2.5 47,-2.7 -2,-0.6 2,-0.3 -0.675 55.7 97.5 -78.5 118.6 -15.2 -6.9 -16.4 221 221 A G S S- 0 0 0 24,-2.6 -179,-0.1 -2,-0.6 -2,-0.1 -0.853 70.6 -85.5 170.9 161.1 -18.1 -5.4 -18.1 222 222 A S > - 0 0 4 -181,-0.8 3,-1.8 -2,-0.3 7,-0.2 -0.374 37.7-112.1 -87.5 160.1 -19.6 -4.5 -21.5 223 223 A K T 3 S+ 0 0 130 1,-0.3 -1,-0.1 -2,-0.1 -181,-0.1 0.725 115.0 51.8 -61.7 -26.7 -19.0 -1.3 -23.5 224 224 A N T 3 S+ 0 0 71 -183,-0.1 2,-0.8 4,-0.0 -1,-0.3 0.273 81.6 107.5 -98.4 12.8 -22.5 -0.0 -23.0 225 225 A S <> - 0 0 1 -3,-1.8 4,-2.4 1,-0.2 5,-0.2 -0.781 52.1-164.4 -92.7 113.8 -22.5 -0.4 -19.3 226 226 A S H > S+ 0 0 9 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.945 88.5 48.8 -60.5 -52.2 -22.3 3.0 -17.7 227 227 A N H > S+ 0 0 15 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.885 112.2 49.5 -60.4 -34.0 -21.4 1.9 -14.2 228 228 A S H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.2 0.925 109.8 51.7 -71.6 -37.8 -18.6 -0.5 -15.6 229 229 A N H X S+ 0 0 51 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.893 105.4 56.2 -63.9 -35.1 -17.2 2.5 -17.7 230 230 A R H X S+ 0 0 34 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.874 105.0 52.5 -66.4 -34.4 -17.1 4.6 -14.5 231 231 A L H X S+ 0 0 2 -4,-1.4 4,-1.9 -3,-0.2 -1,-0.2 0.926 111.8 44.2 -68.0 -43.4 -14.9 2.0 -12.8 232 232 A A H X S+ 0 0 5 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.934 114.1 50.8 -64.6 -42.0 -12.4 2.0 -15.7 233 233 A E H X S+ 0 0 40 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.905 106.9 53.9 -61.4 -42.7 -12.4 5.8 -15.9 234 234 A L H X S+ 0 0 18 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.919 111.1 44.8 -63.7 -45.1 -11.8 6.2 -12.2 235 235 A A H <>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-0.4 0.893 112.0 53.2 -64.3 -38.4 -8.7 3.9 -12.3 236 236 A Q H ><5S+ 0 0 101 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.895 105.3 53.7 -63.5 -38.2 -7.5 5.8 -15.5 237 237 A R H 3<5S+ 0 0 143 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.742 102.5 58.8 -71.0 -19.8 -7.8 9.2 -13.7 238 238 A M T 3<5S- 0 0 68 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.457 126.1-106.5 -85.0 0.4 -5.6 7.7 -10.9 239 239 A G T < 5S+ 0 0 66 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.661 78.8 129.0 87.8 14.3 -3.0 7.2 -13.6 240 240 A K < - 0 0 55 -5,-2.1 -1,-0.3 -24,-0.0 2,-0.2 -0.847 66.9-112.0 -99.2 138.8 -3.3 3.4 -13.9 241 241 A R E -c 216 0A 112 -26,-0.9 -24,-2.3 -2,-0.4 2,-0.4 -0.539 45.3-176.2 -61.1 129.2 -3.8 1.6 -17.3 242 242 A A E -c 217 0A 7 -2,-0.2 2,-0.4 -26,-0.2 -24,-0.2 -0.994 11.7-165.5-137.1 137.8 -7.4 0.3 -17.1 243 243 A F E -c 218 0A 39 -26,-2.1 -24,-3.2 -2,-0.4 2,-0.5 -0.999 15.6-143.4-127.9 135.2 -9.3 -1.8 -19.6 244 244 A L E +c 219 0A 21 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -0.835 33.0 178.7 -93.3 121.1 -13.0 -2.6 -19.9 245 245 A I E -c 220 0A 1 -26,-2.7 -24,-2.6 -2,-0.5 3,-0.1 -0.982 35.3-153.1-131.3 142.0 -13.3 -6.3 -21.1 246 246 A D S S- 0 0 10 -2,-0.4 2,-0.3 1,-0.2 -202,-0.1 0.827 79.7 -20.6 -80.7 -31.4 -16.2 -8.6 -21.8 247 247 A D S > S- 0 0 39 -26,-0.1 3,-1.9 30,-0.1 4,-0.3 -0.957 77.1 -76.0-166.4-177.4 -14.2 -11.7 -21.0 248 248 A A G > S+ 0 0 18 -2,-0.3 3,-1.6 1,-0.3 -1,-0.0 0.781 115.7 66.7 -63.3 -26.9 -10.9 -13.4 -20.7 249 249 A K G 3 S+ 0 0 196 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.725 92.5 63.7 -62.7 -22.9 -10.3 -13.6 -24.5 250 250 A D G < S+ 0 0 53 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.622 76.0 109.7 -77.1 -17.5 -10.1 -9.8 -24.6 251 251 A I < - 0 0 10 -3,-1.6 2,-0.4 -4,-0.3 3,-0.0 -0.462 59.1-151.6 -70.3 120.6 -6.9 -9.7 -22.4 252 252 A Q > - 0 0 116 -2,-0.3 3,-1.4 1,-0.1 4,-0.5 -0.766 14.5-134.2 -92.8 132.7 -3.8 -8.7 -24.5 253 253 A E G >> S+ 0 0 117 -2,-0.4 3,-1.5 1,-0.3 4,-1.3 0.873 102.5 62.8 -53.2 -40.4 -0.6 -10.1 -23.2 254 254 A E G 34 S+ 0 0 116 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.786 91.8 66.8 -56.3 -26.8 1.2 -6.7 -23.5 255 255 A W G <4 S+ 0 0 20 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.791 115.7 24.8 -72.4 -24.5 -1.2 -5.2 -20.9 256 256 A V T X4 S+ 0 0 8 -3,-1.5 3,-2.4 -4,-0.5 -1,-0.2 0.449 85.7 126.5-118.6 -1.5 0.3 -7.3 -18.2 257 257 A K T 3< S+ 0 0 133 -4,-1.3 3,-0.1 1,-0.3 -3,-0.0 -0.327 92.0 1.7 -52.8 120.7 3.9 -8.1 -19.4 258 258 A E T 3 S+ 0 0 168 1,-0.2 2,-0.5 -2,-0.1 -1,-0.3 0.626 97.3 139.0 80.4 2.7 6.2 -7.1 -16.6 259 259 A V < - 0 0 18 -3,-2.4 -1,-0.2 1,-0.1 3,-0.2 -0.760 35.6-168.5 -86.1 128.8 3.4 -6.0 -14.3 260 260 A K S S+ 0 0 160 -2,-0.5 -258,-2.9 1,-0.3 2,-0.4 0.670 75.9 31.3 -89.1 -21.3 3.9 -7.0 -10.7 261 261 A C E -a 2 0A 11 -260,-0.2 -46,-2.5 26,-0.0 -45,-1.1 -0.905 64.3-179.8-142.4 114.0 0.3 -6.2 -9.4 262 262 A V E -ad 3 216A 0 -260,-3.0 -258,-2.7 -2,-0.4 2,-0.3 -0.899 12.8-156.5-111.2 136.8 -2.9 -6.5 -11.6 263 263 A G E -ad 4 217A 0 -47,-2.8 -45,-2.6 -2,-0.4 2,-0.4 -0.879 5.0-162.3-115.4 150.0 -6.2 -5.7 -10.1 264 264 A V E +ad 5 218A 0 -260,-2.2 -258,-2.4 -2,-0.3 2,-0.3 -0.999 15.5 160.3-131.5 135.9 -9.6 -7.0 -11.3 265 265 A T E - 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0 0 2 -3,-1.7 4,-2.5 1,-0.2 5,-0.2 -0.771 52.5-164.7 -88.2 112.6 -42.8 -0.4 19.8 536 226 B S H > S+ 0 0 8 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.936 88.5 47.1 -56.4 -54.5 -43.0 3.1 18.2 537 227 B N H > S+ 0 0 16 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.914 111.1 52.1 -65.0 -31.0 -44.1 1.8 14.8 538 228 B S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.939 109.1 50.0 -66.6 -46.0 -46.7 -0.4 16.3 539 229 B N H X S+ 0 0 41 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.887 106.1 56.9 -55.0 -37.7 -48.2 2.5 18.3 540 230 B R H X S+ 0 0 34 -4,-2.2 4,-2.1 -62,-0.2 -1,-0.2 0.866 105.3 51.8 -65.9 -36.2 -48.2 4.7 15.1 541 231 B L H X S+ 0 0 2 -4,-1.6 4,-1.8 -3,-0.2 -1,-0.2 0.942 112.3 43.6 -65.2 -47.3 -50.4 2.0 13.4 542 232 B A H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.920 114.6 51.6 -62.3 -43.7 -53.0 2.0 16.3 543 233 B E H X S+ 0 0 69 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.907 107.2 51.9 -61.1 -43.0 -52.9 5.8 16.5 544 234 B L H X S+ 0 0 18 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.918 111.8 46.3 -63.2 -45.3 -53.6 6.2 12.8 545 235 B A H <>S+ 0 0 0 -4,-1.8 5,-2.0 2,-0.2 -1,-0.2 0.897 112.8 49.7 -59.4 -46.3 -56.6 3.9 12.9 546 236 B Q H ><5S+ 0 0 125 -4,-2.4 3,-2.5 1,-0.2 -2,-0.2 0.921 107.2 55.1 -58.6 -45.4 -58.0 5.7 16.1 547 237 B R H 3<5S+ 0 0 143 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.792 101.6 59.0 -62.9 -24.7 -57.5 9.0 14.3 548 238 B M T 3<5S- 0 0 73 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.339 125.3-104.6 -84.4 5.6 -59.7 7.7 11.5 549 239 B G T < 5S+ 0 0 65 -3,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.629 80.1 127.9 84.6 18.3 -62.5 7.2 14.0 550 240 B K < - 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