==== 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 3UV7 . 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) . 27912.0 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 . 33 5.3 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 . 197 31.8 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 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 58 0, 0.0 287,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 132.1 2.3 -11.3 -11.0 2 2 A Q E -a 261 0A 83 258,-2.9 260,-3.1 285,-0.2 2,-0.5 -0.732 360.0-153.6 -88.4 137.0 -0.0 -10.6 -8.1 3 3 A I E -ab 262 290A 0 286,-0.6 288,-2.8 -2,-0.4 2,-0.4 -0.942 12.1-171.0-110.0 124.0 -3.8 -10.7 -8.9 4 4 A L E -ab 263 291A 2 258,-2.7 260,-2.4 -2,-0.5 2,-0.5 -0.879 9.8-149.6-114.4 141.8 -6.0 -8.5 -6.7 5 5 A L E -ab 264 292A 17 286,-2.6 288,-2.9 -2,-0.4 260,-0.2 -0.960 16.7-127.4-111.3 131.5 -9.9 -8.6 -6.7 6 6 A A - 0 0 0 258,-2.5 201,-0.1 -2,-0.5 289,-0.1 -0.353 28.1-119.1 -72.4 148.4 -11.9 -5.5 -5.8 7 7 A N S S+ 0 0 55 287,-0.3 289,-0.5 1,-0.2 2,-0.1 -0.950 92.3 28.7-144.2 120.8 -14.6 -5.8 -3.2 8 8 A P S S+ 0 0 8 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.542 87.3 144.4 -81.5 163.2 -17.5 -5.3 -3.8 9 9 A R + 0 0 56 -2,-0.1 258,-0.2 2,-0.1 263,-0.1 -0.957 38.8 18.2-149.3 163.4 -17.7 -6.2 -7.5 10 10 A G S S+ 0 0 7 256,-2.5 256,-0.1 -2,-0.3 193,-0.1 -0.245 94.3 33.1 72.6-154.1 -20.1 -7.7 -9.9 11 11 A F - 0 0 67 259,-0.6 258,-0.2 258,-0.1 2,-0.2 0.057 57.9-161.6 -53.0 135.9 -23.8 -8.2 -9.4 12 12 A C > - 0 0 21 256,-1.4 4,-2.2 1,-0.0 5,-0.2 -0.489 37.4 -97.2 -94.5-178.6 -26.0 -5.8 -7.5 13 13 A A H > S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 289,-0.4 0.868 121.0 52.0 -75.6 -32.7 -29.4 -6.5 -6.1 14 14 A G H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.901 111.1 47.3 -72.4 -35.2 -31.3 -5.0 -9.0 15 15 A V H > S+ 0 0 12 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.917 110.7 50.4 -70.1 -44.5 -29.4 -7.0 -11.6 16 16 A D H X S+ 0 0 88 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.948 114.6 45.6 -63.7 -39.9 -29.8 -10.3 -9.7 17 17 A R H X S+ 0 0 16 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.918 112.4 50.6 -62.7 -49.3 -33.6 -9.6 -9.4 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.901 112.2 45.8 -58.9 -46.6 -34.0 -8.5 -13.1 19 19 A I H X S+ 0 0 12 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.930 112.1 52.0 -66.0 -37.8 -32.3 -11.6 -14.5 20 20 A S H X S+ 0 0 33 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.882 104.7 57.3 -63.4 -33.0 -34.3 -13.9 -12.1 21 21 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.919 111.0 42.0 -63.4 -46.4 -37.5 -12.2 -13.4 22 22 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.936 116.3 47.7 -67.2 -43.7 -36.6 -13.2 -17.0 23 23 A E H X S+ 0 0 62 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.916 113.6 48.0 -66.8 -41.4 -35.4 -16.8 -16.1 24 24 A N H X S+ 0 0 45 -4,-2.9 4,-3.0 -5,-0.3 5,-0.3 0.937 110.9 50.8 -66.8 -42.0 -38.5 -17.4 -13.9 25 25 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.4 0.902 110.8 49.3 -58.0 -46.1 -40.8 -16.1 -16.7 26 26 A L H X S+ 0 0 19 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.908 114.6 46.0 -56.0 -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 0.876 118.7 39.5 -72.2 -35.2 -39.5 -21.4 -16.6 28 28 A I H < S+ 0 0 86 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.928 133.2 18.6 -80.5 -41.1 -43.1 -20.7 -15.9 29 29 A Y H < S- 0 0 120 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.571 96.9-130.8-108.3 -13.6 -44.4 -19.8 -19.4 30 30 A G < - 0 0 32 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.1 -0.036 48.2 -10.1 78.2 169.6 -41.9 -21.1 -22.0 31 31 A A S S+ 0 0 67 23,-0.1 23,-0.1 -4,-0.1 2,-0.1 -0.459 101.1 53.1 -69.2 153.2 -40.2 -19.4 -24.9 32 32 A P + 0 0 65 0, 0.0 2,-0.4 0, 0.0 36,-0.4 0.675 56.2 163.3 -92.4 153.8 -40.7 -16.9 -26.2 33 33 A I E -e 54 0B 0 20,-1.3 22,-2.6 -2,-0.1 2,-0.3 -0.999 30.2-140.1-117.3 126.7 -40.6 -14.2 -23.5 34 34 A Y E -ef 55 69B 33 34,-2.4 36,-2.2 -2,-0.4 2,-0.4 -0.698 15.7-166.7 -90.0 143.2 -40.2 -10.7 -24.9 35 35 A V E -ef 56 70B 0 20,-2.7 22,-2.5 -2,-0.3 2,-0.9 -0.992 19.9-132.5-132.5 123.3 -37.9 -8.2 -23.1 36 36 A R E S-ef 57 71B 30 34,-3.1 36,-1.4 -2,-0.4 22,-0.2 -0.697 78.3 -18.2 -78.8 113.7 -37.8 -4.5 -23.8 37 37 A H S S- 0 0 24 20,-3.3 20,-0.2 -2,-0.9 21,-0.1 0.236 112.8 -42.6 75.8 162.5 -34.1 -3.6 -24.2 38 38 A E - 0 0 45 1,-0.2 3,-0.1 18,-0.1 35,-0.1 -0.362 58.4-129.0 -49.8 129.7 -31.3 -5.7 -22.8 39 39 A V S S- 0 0 0 1,-0.2 34,-2.4 33,-0.2 2,-0.3 0.854 91.5 -7.6 -54.7 -44.8 -32.5 -6.8 -19.4 40 40 A V S S- 0 0 1 2,-0.2 2,-2.2 32,-0.1 -1,-0.2 -0.941 89.9 -95.1-141.2 160.1 -29.2 -5.6 -18.1 41 41 A H S S+ 0 0 8 -2,-0.3 181,-0.8 -3,-0.1 2,-0.4 -0.410 82.4 112.2 -83.9 70.3 -26.2 -4.3 -20.1 42 42 A N > - 0 0 0 -2,-2.2 4,-2.8 1,-0.1 5,-0.2 -0.936 54.3-154.2-142.8 122.4 -24.1 -7.5 -20.3 43 43 A R H > S+ 0 0 103 -2,-0.4 4,-3.2 1,-0.2 5,-0.2 0.890 96.8 50.6 -60.1 -40.2 -23.5 -9.4 -23.5 44 44 A Y H > S+ 0 0 107 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.941 113.1 44.8 -68.8 -45.3 -23.0 -12.7 -21.8 45 45 A V H > S+ 0 0 8 224,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.955 118.0 44.7 -60.0 -47.8 -26.2 -12.5 -19.7 46 46 A V H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.915 114.1 48.2 -63.1 -43.7 -28.2 -11.3 -22.8 47 47 A D H X S+ 0 0 84 -4,-3.2 4,-2.3 -5,-0.2 -1,-0.2 0.902 111.7 53.1 -64.9 -37.6 -26.7 -13.9 -25.1 48 48 A S H X S+ 0 0 38 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.924 112.2 42.3 -58.6 -51.7 -27.5 -16.6 -22.4 49 49 A L H <>S+ 0 0 2 -4,-2.2 5,-2.3 1,-0.2 3,-0.3 0.850 110.8 55.9 -73.1 -36.8 -31.1 -15.6 -22.2 50 50 A R H ><5S+ 0 0 116 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.935 105.6 52.8 -58.0 -41.5 -31.5 -15.3 -26.1 51 51 A E H 3<5S+ 0 0 165 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.750 108.7 51.4 -70.2 -23.7 -30.3 -18.9 -26.5 52 52 A R T 3<5S- 0 0 121 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.338 132.3 -87.8 -93.3 3.8 -33.0 -19.9 -23.9 53 53 A G T < 5S+ 0 0 19 -3,-1.9 -20,-1.3 1,-0.4 2,-0.3 0.507 78.5 137.5 109.4 3.3 -35.8 -18.1 -25.8 54 54 A A E < -e 33 0B 2 -5,-2.3 2,-0.5 -22,-0.2 -1,-0.4 -0.646 39.3-151.7 -76.7 139.2 -35.9 -14.5 -24.6 55 55 A I E -e 34 0B 68 -22,-2.6 -20,-2.7 -2,-0.3 2,-0.5 -0.975 4.9-152.1-114.7 116.8 -36.4 -12.0 -27.4 56 56 A F E +e 35 0B 29 -2,-0.5 2,-0.3 -22,-0.2 -20,-0.2 -0.828 21.3 173.1 -92.7 121.8 -34.9 -8.5 -26.8 57 57 A I E -e 36 0B 6 -22,-2.5 -20,-3.3 -2,-0.5 3,-0.1 -0.810 31.9-148.0-120.6 162.7 -36.7 -5.7 -28.7 58 58 A E S S+ 0 0 101 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.753 83.4 40.0 -98.2 -29.7 -36.3 -1.9 -28.6 59 59 A Q S > S- 0 0 117 1,-0.1 3,-2.2 -23,-0.0 -1,-0.2 -0.932 73.0-130.7-127.0 144.8 -40.0 -0.9 -29.3 60 60 A I G > S+ 0 0 1 -2,-0.4 3,-2.4 1,-0.3 -1,-0.1 0.792 104.8 74.6 -64.6 -26.0 -43.3 -2.4 -28.2 61 61 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.622 89.0 60.3 -61.7 -11.6 -44.3 -2.4 -31.9 62 62 A E G < S+ 0 0 100 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.397 89.0 87.4 -89.4 -5.8 -42.0 -5.4 -32.2 63 63 A V S < S- 0 0 4 -3,-2.4 3,-0.1 -4,-0.1 2,-0.1 -0.872 77.7-125.6-100.2 135.4 -43.9 -7.5 -29.7 64 64 A P > - 0 0 59 0, 0.0 3,-1.5 0, 0.0 -2,-0.1 -0.359 34.3 -90.2 -69.8 153.5 -46.9 -9.7 -30.9 65 65 A D T 3 S+ 0 0 117 1,-0.2 24,-0.1 -2,-0.1 22,-0.0 -0.296 113.3 25.3 -54.3 144.0 -50.4 -9.5 -29.4 66 66 A G T 3 S+ 0 0 49 1,-0.3 -1,-0.2 -3,-0.1 23,-0.1 0.421 93.4 133.4 83.2 -1.2 -50.9 -11.9 -26.4 67 67 A A < - 0 0 14 -3,-1.5 23,-2.5 1,-0.1 2,-0.5 -0.337 60.5-117.3 -83.0 164.3 -47.2 -12.0 -25.6 68 68 A I E - g 0 90B 25 -36,-0.4 -34,-2.4 21,-0.2 2,-0.4 -0.861 35.2-169.3 -94.9 128.9 -45.5 -11.7 -22.2 69 69 A L E -fg 34 91B 0 21,-2.9 23,-2.1 -2,-0.5 2,-0.4 -0.988 9.5-161.6-124.7 135.5 -43.2 -8.6 -22.1 70 70 A I E -fg 35 92B 0 -36,-2.2 -34,-3.1 -2,-0.4 2,-0.4 -0.959 15.4-137.5-115.1 132.1 -40.7 -7.8 -19.4 71 71 A F E -fg 36 93B 1 21,-1.9 23,-1.8 -2,-0.4 -34,-0.1 -0.733 33.5-108.5 -84.1 148.0 -39.3 -4.2 -19.0 72 72 A S > - 0 0 0 -36,-1.4 3,-1.8 -2,-0.4 -33,-0.2 -0.085 28.0 -99.8 -73.2 171.6 -35.6 -4.1 -18.4 73 73 A A T 3 S+ 0 0 9 -34,-2.4 23,-2.6 1,-0.3 26,-0.2 0.732 117.7 66.3 -61.5 -23.2 -33.9 -3.2 -15.1 74 74 A H T 3 S- 0 0 23 -35,-0.3 -1,-0.3 21,-0.2 55,-0.1 0.601 104.5-128.4 -77.9 -15.9 -33.2 0.4 -16.4 75 75 A G < - 0 0 3 -3,-1.8 2,-0.3 54,-0.1 54,-0.2 -0.035 15.4-107.4 92.6 173.7 -36.9 1.3 -16.5 76 76 A V - 0 0 2 53,-0.2 2,-0.1 52,-0.1 53,-0.0 -0.897 25.6-101.1-142.0 158.6 -39.3 2.7 -19.1 77 77 A S > - 0 0 22 -2,-0.3 4,-2.3 1,-0.1 56,-0.2 -0.322 35.8-110.6 -72.2 161.3 -41.1 5.9 -19.8 78 78 A Q H > S+ 0 0 72 54,-2.3 4,-3.2 51,-0.2 5,-0.2 0.902 120.3 59.0 -56.0 -41.2 -44.9 6.3 -19.0 79 79 A A H > S+ 0 0 69 53,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.887 107.5 43.5 -55.7 -46.6 -45.3 6.4 -22.8 80 80 A V H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 115.1 49.0 -62.5 -46.0 -43.8 2.9 -23.2 81 81 A R H X S+ 0 0 65 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.891 113.5 47.3 -61.6 -38.3 -45.7 1.6 -20.2 82 82 A N H X S+ 0 0 82 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.892 109.6 53.5 -70.4 -38.9 -48.9 3.1 -21.6 83 83 A E H < S+ 0 0 81 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.907 112.3 44.1 -56.9 -48.6 -48.2 1.6 -25.0 84 84 A A H ><>S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.2 5,-0.8 0.880 112.6 53.0 -59.3 -43.4 -47.8 -1.9 -23.5 85 85 A K H 3<5S+ 0 0 172 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.801 108.1 50.6 -67.3 -31.1 -50.9 -1.3 -21.3 86 86 A S T 3<5S+ 0 0 97 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.569 105.4 70.2 -82.6 -12.4 -53.0 -0.4 -24.4 87 87 A R T < 5S- 0 0 62 -3,-0.8 -22,-0.0 -4,-0.5 -3,-0.0 -0.465 103.9 -94.2-101.6 173.3 -51.8 -3.5 -26.3 88 88 A D T 5S+ 0 0 110 -2,-0.2 2,-0.1 2,-0.1 -3,-0.1 0.270 77.9 139.3 -70.9 16.3 -52.7 -7.2 -25.6 89 89 A L < - 0 0 22 -5,-0.8 2,-0.6 -23,-0.1 -21,-0.2 -0.314 52.2-146.7 -87.5 142.8 -49.6 -7.7 -23.4 90 90 A T E -g 68 0B 70 -23,-2.5 -21,-2.9 -2,-0.1 2,-0.4 -0.898 35.1-159.3 -93.1 125.0 -49.0 -9.5 -20.0 91 91 A V E -g 69 0B 49 -2,-0.6 2,-0.4 -23,-0.2 -21,-0.2 -0.864 23.8-177.3-116.2 132.1 -46.3 -7.3 -18.5 92 92 A F E -g 70 0B 12 -23,-2.1 -21,-1.9 -2,-0.4 2,-0.7 -0.969 22.3-142.3-119.1 143.0 -43.8 -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 -0.886 21.8 178.1-110.9 113.1 -41.6 -5.0 -14.7 94 94 A A + 0 0 0 -23,-1.8 -76,-0.1 -2,-0.7 -1,-0.1 0.302 33.5 141.9 -94.7 11.3 -37.9 -5.8 -13.9 95 95 A T - 0 0 4 1,-0.1 -22,-0.2 -21,-0.1 -21,-0.2 -0.239 62.3-108.1 -51.0 135.2 -37.1 -2.0 -13.2 96 96 A C >> - 0 0 19 -23,-2.6 4,-2.5 1,-0.2 3,-1.3 -0.399 20.2-125.3 -64.3 138.2 -34.7 -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 0.830 111.8 59.0 -49.6 -35.4 -36.5 -0.5 -7.1 98 98 A L H 3> S+ 0 0 47 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.723 107.0 45.3 -73.4 -19.6 -33.8 2.2 -6.9 99 99 A V H X> S+ 0 0 5 -3,-1.3 4,-2.1 -26,-0.2 3,-0.8 0.892 110.9 53.5 -78.2 -45.9 -34.7 3.5 -10.4 100 100 A T H 3X S+ 0 0 44 -4,-2.5 4,-2.4 1,-0.3 -2,-0.2 0.863 101.5 60.2 -55.6 -37.5 -38.4 3.4 -9.5 101 101 A K H 3X S+ 0 0 99 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.3 0.900 107.7 44.5 -58.0 -39.5 -37.6 5.6 -6.5 102 102 A V H S+ 0 0 6 -4,-2.3 5,-2.1 2,-0.2 4,-0.4 0.901 111.2 52.8 -62.8 -38.6 -42.7 17.2 -9.6 110 110 A S H ><5S+ 0 0 6 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.942 106.0 52.2 -62.8 -48.8 -44.7 16.8 -12.8 111 111 A R H 3<5S+ 0 0 163 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.856 111.4 48.4 -56.1 -34.4 -48.0 16.7 -11.0 112 112 A R T 3<5S- 0 0 160 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.496 108.3-125.1 -81.9 -2.4 -47.1 19.9 -9.2 113 113 A G T < 5 + 0 0 23 -3,-1.9 2,-0.4 -4,-0.4 -3,-0.2 0.744 64.0 140.4 53.4 30.5 -46.0 21.6 -12.5 114 114 A E < - 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0 0 4 -4,-2.8 3,-2.3 -5,-0.3 -1,-0.3 -0.738 67.3-179.3-133.8 80.5 -30.0 28.0 -8.8 186 186 A P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.706 79.9 53.4 -67.3 -18.9 -29.7 28.6 -5.1 187 187 A K T 3 S+ 0 0 108 -29,-0.4 -26,-0.4 2,-0.1 -5,-0.1 0.282 78.6 130.6 -90.3 2.8 -33.2 27.5 -4.3 188 188 A I < - 0 0 5 -3,-2.3 2,-0.4 -7,-0.2 -26,-0.2 -0.389 45.2-150.3 -60.6 142.1 -33.0 24.1 -6.0 189 189 A V B +j 162 0C 81 -28,-2.2 -26,-2.2 -2,-0.1 -2,-0.1 -0.871 29.5 140.0-114.5 140.8 -34.1 21.1 -4.0 190 190 A G - 0 0 7 -2,-0.4 310,-0.2 -28,-0.2 -26,-0.1 -0.894 53.9 -58.5-156.8-167.3 -32.8 17.6 -4.3 191 191 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.247 63.3 -93.0 -75.8 176.5 -31.8 14.6 -2.2 192 192 A R S S- 0 0 59 2,-0.1 -2,-0.0 307,-0.0 307,-0.0 0.868 109.9 -12.7 -58.5 -39.1 -29.0 15.0 0.5 193 193 A K S S- 0 0 113 1,-0.4 2,-0.2 3,-0.1 -15,-0.0 0.566 113.5 -60.3-129.3 -67.7 -26.3 13.9 -2.0 194 194 A D - 0 0 24 2,-0.2 -1,-0.4 -4,-0.1 -2,-0.1 -0.873 42.6 -97.6-169.5-178.9 -27.5 12.3 -5.3 195 195 A D S S+ 0 0 12 -29,-0.2 2,-0.2 -2,-0.2 -93,-0.1 0.172 71.6 134.9-101.3 14.0 -29.6 9.3 -6.6 196 196 A I - 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0 0 55 -5,-2.1 2,-0.4 -24,-0.0 -1,-0.3 -0.731 65.8-114.5 -93.5 146.9 -3.5 3.3 -14.1 241 241 A R E -c 216 0A 111 -26,-1.1 -24,-2.3 -2,-0.3 2,-0.4 -0.661 45.0-176.8 -74.3 131.8 -4.0 1.6 -17.5 242 242 A A E -c 217 0A 6 -2,-0.4 2,-0.4 -26,-0.2 -24,-0.2 -1.000 12.6-163.7-138.3 141.1 -7.5 0.2 -17.3 243 243 A F E -c 218 0A 40 -26,-2.3 -24,-3.2 -2,-0.4 2,-0.6 -0.974 15.2-143.2-130.5 132.8 -9.5 -1.8 -19.7 244 244 A L E +c 219 0A 21 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.836 34.0 174.5 -91.9 121.4 -13.2 -2.6 -20.0 245 245 A I E -c 220 0A 1 -26,-2.7 -24,-2.9 -2,-0.6 3,-0.1 -0.974 35.9-152.7-132.2 149.4 -13.5 -6.2 -21.2 246 246 A D S S- 0 0 9 -2,-0.3 2,-0.3 1,-0.2 -202,-0.1 0.817 79.5 -13.4 -85.7 -35.8 -16.4 -8.6 -21.8 247 247 A D S > S- 0 0 42 -26,-0.1 3,-1.7 30,-0.1 4,-0.2 -0.921 78.1 -82.5-156.6 177.9 -14.5 -11.8 -21.2 248 248 A A G > S+ 0 0 17 1,-0.3 3,-1.7 -2,-0.3 26,-0.0 0.784 115.4 69.6 -61.5 -28.1 -11.0 -13.4 -20.9 249 249 A K G 3 S+ 0 0 196 1,-0.3 -1,-0.3 3,-0.0 29,-0.0 0.701 92.2 61.6 -62.6 -24.5 -10.6 -13.6 -24.7 250 250 A D G < S+ 0 0 51 -3,-1.7 2,-0.3 2,-0.1 -1,-0.3 0.603 76.0 108.7 -77.3 -12.7 -10.3 -9.8 -24.8 251 251 A I < - 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