==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-JAN-04 1S1F . COMPND 2 MOLECULE: PUTATIVE CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR B.ZHAO,D.C.LAMB,L.LEI,M.SUNDARAMOORTHY,L.M.PODUST,M.R.WATERM . 397 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17541.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 6.8 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 . 1 0.3 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 . 15 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.0 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 3 0 0 0 1 2 1 3 0 1 1 2 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 PARALLEL BRIDGES PER LADDER . 3 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 8 A Q 0 0 121 0, 0.0 31,-0.1 0, 0.0 298,-0.0 0.000 360.0 360.0 360.0 -45.4 21.8 29.6 92.4 2 9 A A + 0 0 28 1,-0.3 298,-0.0 297,-0.1 296,-0.0 0.731 360.0 41.3 -73.2 -22.2 18.4 29.0 90.9 3 10 A V S S- 0 0 110 296,-0.0 -1,-0.3 31,-0.0 3,-0.1 -0.675 80.0-174.9-127.4 76.8 18.0 32.8 90.6 4 11 A P - 0 0 13 0, 0.0 29,-0.1 0, 0.0 3,-0.0 -0.376 35.2 -99.8 -69.5 149.7 21.3 34.3 89.4 5 12 A P - 0 0 100 0, 0.0 29,-0.7 0, 0.0 2,-0.5 -0.342 40.4-105.2 -67.0 152.3 21.5 38.1 89.2 6 13 A V E -a 34 0A 56 27,-0.1 2,-0.5 -3,-0.1 29,-0.2 -0.698 33.5-151.6 -81.8 124.9 21.0 39.6 85.7 7 14 A R E -a 35 0A 97 27,-2.6 29,-1.9 -2,-0.5 2,-0.3 -0.853 9.8-134.9 -99.4 124.5 24.3 40.8 84.3 8 15 A D E -a 36 0A 106 -2,-0.5 29,-0.2 27,-0.2 35,-0.0 -0.638 17.0-167.9 -78.6 134.3 24.2 43.7 81.9 9 16 A W - 0 0 6 27,-2.8 3,-0.1 -2,-0.3 -1,-0.1 -0.695 10.8-173.7-124.3 75.4 26.3 43.0 78.8 10 17 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 65,-0.1 -0.254 37.0 -89.6 -67.8 159.2 26.6 46.4 76.9 11 18 A A + 0 0 72 64,-0.1 2,-0.4 271,-0.0 26,-0.0 -0.557 53.4 169.5 -73.5 128.0 28.3 46.6 73.5 12 19 A V - 0 0 93 -2,-0.3 2,-0.4 -3,-0.1 8,-0.0 -0.997 32.8-125.5-141.6 133.5 32.0 47.3 73.9 13 20 A D - 0 0 71 -2,-0.4 369,-0.1 269,-0.0 -2,-0.0 -0.683 26.5-152.5 -82.0 127.2 34.7 47.1 71.2 14 21 A L - 0 0 22 -2,-0.4 2,-0.1 367,-0.2 6,-0.1 -0.800 17.3-113.3-102.8 142.2 37.6 44.9 72.1 15 22 A P > - 0 0 79 0, 0.0 3,-2.4 0, 0.0 361,-0.1 -0.466 69.2 -42.7 -72.8 142.8 41.2 45.3 70.8 16 23 A G T 3 S- 0 0 15 362,-0.3 -2,-0.1 1,-0.3 372,-0.1 -0.046 118.3 -28.2 40.0-125.9 42.6 42.7 68.5 17 24 A S T 3 S+ 0 0 13 228,-0.1 -1,-0.3 370,-0.0 263,-0.0 0.026 90.1 147.5-108.2 25.2 41.7 39.2 69.7 18 25 A D < - 0 0 97 -3,-2.4 2,-0.2 1,-0.1 -4,-0.1 -0.311 52.2-111.3 -61.6 142.3 41.5 40.0 73.5 19 26 A F - 0 0 37 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 -0.548 35.0 -98.8 -79.1 142.3 38.9 38.0 75.3 20 27 A D > - 0 0 23 -2,-0.2 4,-2.2 1,-0.2 3,-0.3 -0.418 26.1-151.3 -61.5 115.8 35.7 39.7 76.6 21 28 A P H > S+ 0 0 89 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.816 96.1 54.3 -59.7 -31.8 36.2 40.5 80.3 22 29 A V H > S+ 0 0 30 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.888 108.0 48.9 -70.4 -38.3 32.5 40.3 81.0 23 30 A L H > S+ 0 0 3 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.901 107.8 55.7 -67.0 -38.8 32.4 36.8 79.4 24 31 A T H X S+ 0 0 42 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.904 109.4 46.6 -59.0 -40.6 35.3 35.8 81.6 25 32 A E H X S+ 0 0 83 -4,-1.8 4,-1.1 2,-0.2 3,-0.4 0.906 110.2 51.6 -69.1 -41.9 33.4 36.9 84.7 26 33 A L H >X S+ 0 0 1 -4,-2.2 3,-0.7 1,-0.2 4,-0.6 0.908 106.2 56.0 -61.2 -39.9 30.2 35.1 83.6 27 34 A M H 3< S+ 0 0 48 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.823 107.5 49.5 -61.6 -30.8 32.3 31.9 83.1 28 35 A R H 3< S+ 0 0 185 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.688 97.7 70.0 -82.0 -19.8 33.5 32.1 86.7 29 36 A E H << S- 0 0 92 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.680 111.9 -75.5 -74.8 -20.1 30.1 32.6 88.3 30 37 A G < - 0 0 25 -4,-0.6 -1,-0.2 -3,-0.4 18,-0.1 -0.676 52.2 -69.7 141.0 165.0 28.7 29.1 87.7 31 38 A P S S+ 0 0 52 0, 0.0 17,-0.9 0, 0.0 2,-0.5 0.838 116.7 43.3 -55.3 -40.0 27.2 26.9 84.8 32 39 A V E + B 0 47A 11 15,-0.2 2,-0.2 -3,-0.1 15,-0.2 -0.946 68.5 160.3-118.8 122.9 24.0 28.9 84.5 33 40 A T E - B 0 46A 3 13,-2.3 13,-2.2 -2,-0.5 2,-0.4 -0.709 31.3-123.9-127.2 176.5 23.8 32.7 84.5 34 41 A R E -aB 6 45A 38 -29,-0.7 -27,-2.6 11,-0.2 2,-0.3 -0.989 28.2-178.3-127.3 138.0 21.4 35.4 83.4 35 42 A I E -aB 7 44A 0 9,-2.8 9,-1.9 -2,-0.4 2,-0.4 -0.892 20.5-154.9-133.7 161.3 22.2 38.3 81.0 36 43 A S E -a 8 0A 27 -29,-1.9 -27,-2.8 -2,-0.3 7,-0.1 -0.977 18.5-161.8-137.0 121.9 20.6 41.4 79.4 37 44 A L - 0 0 9 -2,-0.4 38,-0.1 2,-0.3 37,-0.1 -0.406 36.0 -92.5 -95.7 174.8 22.0 42.7 76.1 38 45 A P S S+ 0 0 63 0, 0.0 37,-0.2 0, 0.0 2,-0.2 0.849 102.3 39.2 -57.8 -40.4 21.6 46.2 74.5 39 46 A N B S+F 74 0B 55 35,-2.6 35,-2.2 2,-0.1 -2,-0.3 -0.523 93.4 37.1-109.6 176.7 18.6 45.4 72.3 40 47 A G S S- 0 0 31 33,-0.3 2,-0.4 -2,-0.2 33,-0.2 -0.224 90.5 -71.5 74.7-173.8 15.4 43.4 72.7 41 48 A E B S-g 72 0C 145 30,-2.8 32,-0.6 29,-0.2 2,-0.1 -0.953 79.5 -14.3-126.3 141.7 13.6 43.3 76.0 42 49 A G S S- 0 0 48 -2,-0.4 -5,-0.2 30,-0.1 2,-0.2 -0.427 84.3 -52.2 81.6-150.5 14.3 41.6 79.3 43 50 A W - 0 0 96 -7,-0.1 263,-0.3 -2,-0.1 2,-0.3 -0.711 36.5-156.9-125.7 174.8 16.8 38.9 80.2 44 51 A A E -B 35 0A 0 -9,-1.9 -9,-2.8 -2,-0.2 263,-0.2 -0.979 25.9-106.6-151.0 154.7 17.9 35.5 79.0 45 52 A W E -Bc 34 307A 14 261,-2.7 263,-2.8 -2,-0.3 2,-0.3 -0.476 33.1-158.2 -79.5 158.7 19.7 32.5 80.5 46 53 A L E -Bc 33 308A 0 -13,-2.2 -13,-2.3 261,-0.2 2,-0.4 -0.998 7.9-164.4-141.5 134.7 23.3 31.8 79.4 47 54 A V E +Bc 32 309A 0 261,-1.9 263,-1.4 -2,-0.3 267,-0.2 -0.958 11.3 172.1-120.1 141.7 25.4 28.6 79.6 48 55 A T + 0 0 5 -17,-0.9 2,-0.1 -2,-0.4 -1,-0.1 0.595 43.9 100.2-122.0 -19.6 29.1 28.4 79.2 49 56 A R S > S- 0 0 63 -18,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.449 74.7-121.9 -74.7 148.0 30.4 24.9 79.9 50 57 A H H > S+ 0 0 10 264,-0.3 4,-1.9 1,-0.2 5,-0.1 0.899 110.9 45.5 -54.2 -47.3 31.2 22.6 77.0 51 58 A D H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.907 113.4 48.4 -68.4 -39.4 28.7 19.9 78.0 52 59 A D H > S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.883 110.5 52.0 -67.5 -37.1 25.8 22.3 78.8 53 60 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.898 108.5 51.4 -64.9 -38.5 26.4 24.1 75.4 54 61 A R H X S+ 0 0 93 -4,-1.9 4,-0.9 -5,-0.2 -1,-0.2 0.847 110.8 49.8 -66.3 -33.1 26.2 20.7 73.7 55 62 A L H >< S+ 0 0 61 -4,-1.6 3,-0.6 2,-0.2 4,-0.2 0.965 110.8 45.8 -70.1 -53.0 22.9 20.0 75.5 56 63 A V H >< S+ 0 0 1 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.870 117.4 44.1 -59.4 -40.2 21.1 23.2 74.7 57 64 A T H 3< S+ 0 0 5 -4,-1.9 286,-0.4 -5,-0.2 -1,-0.2 0.653 119.0 42.4 -81.7 -14.0 22.1 23.1 71.0 58 65 A N T << S+ 0 0 92 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.040 92.3 92.9-121.7 26.6 21.3 19.4 70.5 59 66 A D X - 0 0 35 -3,-0.6 3,-2.2 -4,-0.2 -4,-0.0 -0.982 66.2-140.8-126.1 127.6 18.0 18.9 72.4 60 67 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.619 96.9 74.5 -56.4 -16.2 14.5 19.1 70.7 61 68 A R T 3 S+ 0 0 80 229,-0.1 230,-3.7 1,-0.1 2,-0.5 0.600 89.9 64.2 -75.6 -12.2 13.2 20.9 73.8 62 69 A F E < S-D 290 0A 11 -3,-2.2 2,-0.3 228,-0.2 228,-0.2 -0.967 75.4-174.9-114.2 123.9 15.1 24.1 72.8 63 70 A G E -D 289 0A 1 226,-2.3 226,-2.9 -2,-0.5 27,-0.1 -0.853 34.4-158.1-125.7 159.4 13.9 25.7 69.6 64 71 A R S >> S+ 0 0 25 -2,-0.3 3,-1.6 224,-0.2 4,-0.6 0.734 87.2 72.2 -97.7 -31.3 14.6 28.5 67.1 65 72 A E T 34 S+ 0 0 87 1,-0.3 3,-0.4 2,-0.2 4,-0.2 0.824 97.3 52.3 -56.0 -32.6 11.2 28.8 65.5 66 73 A A T 34 S+ 0 0 31 1,-0.2 3,-0.5 2,-0.1 4,-0.4 0.558 89.4 80.6 -82.8 -8.8 9.8 30.4 68.7 67 74 A V T X4>S+ 0 0 2 -3,-1.6 3,-1.0 1,-0.2 5,-0.5 0.898 79.9 65.2 -65.1 -40.8 12.5 33.1 69.0 68 75 A M T 3<5S+ 0 0 48 -4,-0.6 3,-0.4 -3,-0.4 -1,-0.2 0.744 97.1 52.5 -58.0 -30.2 11.0 35.5 66.5 69 76 A D T 3 5S+ 0 0 70 -3,-0.5 -1,-0.2 -4,-0.2 -2,-0.1 0.745 100.9 57.3 -83.4 -16.8 7.9 36.4 68.2 70 77 A R T < 5S- 0 0 106 -3,-1.0 -1,-0.2 -4,-0.4 -29,-0.2 0.082 91.0-122.4-109.1 21.1 9.1 37.5 71.7 71 78 A Q T 5 - 0 0 101 -3,-0.4 -30,-2.8 -4,-0.1 -3,-0.1 0.869 38.4-161.6 37.3 55.2 11.6 40.3 71.4 72 79 A V B < -g 41 0C 11 -5,-0.5 -30,-0.1 -32,-0.2 -1,-0.1 -0.368 29.3 -93.8 -64.9 141.1 14.4 38.4 73.2 73 80 A T + 0 0 0 -32,-0.6 2,-0.3 -30,-0.3 -33,-0.3 -0.285 62.9 161.2 -55.1 137.1 17.3 40.4 74.6 74 81 A R B -F 39 0B 37 -35,-2.2 -35,-2.6 -37,-0.1 211,-0.1 -0.986 49.6-120.9-157.5 164.1 20.0 40.5 72.0 75 82 A L S S+ 0 0 22 209,-0.5 -1,-0.1 -2,-0.3 -64,-0.1 0.940 89.6 70.0 -74.9 -51.2 23.2 42.3 70.8 76 83 A A S S- 0 0 13 209,-0.2 100,-0.1 1,-0.1 3,-0.1 -0.425 75.8-136.1 -74.6 140.9 22.1 43.3 67.2 77 84 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -37,-0.2 0.903 92.3 14.8 -60.6 -37.3 19.4 45.9 66.6 78 85 A H S S- 0 0 85 97,-1.5 2,-0.1 -39,-0.1 99,-0.1 -0.972 83.7-108.0-138.9 152.6 17.9 43.6 64.0 79 86 A F - 0 0 58 -2,-0.3 207,-0.0 1,-0.1 3,-0.0 -0.360 13.4-152.7 -74.3 155.8 18.1 40.0 63.0 80 87 A I S S+ 0 0 53 -2,-0.1 -1,-0.1 2,-0.1 2,-0.1 0.864 76.9 70.1 -94.4 -51.4 19.8 38.9 59.8 81 88 A P S S- 0 0 23 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.437 79.1-137.0 -69.9 141.6 17.9 35.6 59.1 82 89 A A > - 0 0 65 1,-0.1 3,-2.2 -2,-0.1 6,-0.3 -0.422 37.9 -71.3 -91.8 170.4 14.3 36.1 58.1 83 90 A R T 3 S+ 0 0 174 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.418 124.9 22.6 -60.8 128.8 11.3 34.1 59.2 84 91 A G T 3 S+ 0 0 40 1,-0.4 -1,-0.3 4,-0.3 5,-0.1 0.243 90.7 129.4 97.6 -15.5 11.5 30.6 57.7 85 92 A A S X S- 0 0 8 -3,-2.2 3,-1.8 1,-0.1 -1,-0.4 -0.355 76.6-103.7 -69.5 157.1 15.3 30.8 57.1 86 93 A V G > S+ 0 0 18 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.802 119.7 64.6 -53.8 -32.2 17.3 27.8 58.4 87 94 A G G 3 S+ 0 0 12 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.839 110.4 37.6 -60.8 -31.5 18.5 29.8 61.4 88 95 A F G < S+ 0 0 4 -3,-1.8 2,-0.3 -6,-0.3 -1,-0.3 0.020 100.8 98.6-109.1 27.7 14.9 30.1 62.6 89 96 A L < - 0 0 16 -3,-1.6 -25,-0.1 -25,-0.1 -4,-0.0 -0.871 52.3-160.4-115.8 147.3 13.8 26.6 61.6 90 97 A D > - 0 0 22 -2,-0.3 4,-2.1 -26,-0.1 3,-0.4 -0.817 40.2 -52.2-119.6 161.4 13.5 23.4 63.8 91 98 A P T 4 S+ 0 0 68 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.416 114.8 37.6 -63.8 152.2 13.4 19.8 62.8 92 99 A P T > S+ 0 0 104 0, 0.0 4,-2.3 0, 0.0 3,-0.2 -0.956 130.1 33.3 -75.7 -30.2 11.7 18.4 60.8 93 100 A D H > S+ 0 0 67 -3,-0.4 4,-2.4 1,-0.2 5,-0.2 0.896 119.6 53.2 -55.1 -42.5 11.7 21.3 58.3 94 101 A H H X S+ 0 0 3 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.902 110.2 48.2 -58.5 -42.5 15.2 22.3 59.3 95 102 A T H > S+ 0 0 66 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 110.2 50.8 -64.2 -45.7 16.4 18.7 58.6 96 103 A R H X S+ 0 0 69 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.908 114.8 43.8 -60.1 -43.7 14.7 18.5 55.2 97 104 A L H >< S+ 0 0 2 -4,-2.4 3,-0.8 -5,-0.2 4,-0.5 0.933 112.4 49.8 -70.8 -47.2 16.2 21.8 54.1 98 105 A R H >X S+ 0 0 27 -4,-2.6 4,-1.3 1,-0.2 3,-1.2 0.876 106.2 58.1 -60.6 -36.1 19.7 21.2 55.3 99 106 A R H 3X S+ 0 0 162 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.788 89.6 72.5 -66.3 -26.0 19.8 17.8 53.6 100 107 A S H << S+ 0 0 21 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.776 117.8 17.6 -60.3 -24.9 19.2 19.3 50.2 101 108 A V H X> S+ 0 0 2 -3,-1.2 3,-2.1 -4,-0.5 4,-0.6 0.450 93.3 105.1-124.3 -4.5 22.7 20.7 50.2 102 109 A A H >X S+ 0 0 43 -4,-1.3 3,-1.7 1,-0.3 4,-0.5 0.849 77.2 57.8 -47.4 -46.2 24.6 18.7 52.8 103 110 A A H 3< S+ 0 0 77 -4,-0.5 -1,-0.3 1,-0.3 3,-0.2 0.696 100.5 58.4 -62.4 -17.9 26.5 16.6 50.3 104 111 A A H <4 S+ 0 0 10 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.665 108.1 47.1 -84.5 -14.3 28.0 19.7 48.7 105 112 A F H << S+ 0 0 12 -3,-1.7 244,-0.4 -4,-0.6 245,-0.2 0.389 85.9 98.7-109.6 0.6 29.5 20.8 52.0 106 113 A T S X S- 0 0 63 -4,-0.5 4,-2.8 -3,-0.2 5,-0.3 -0.261 93.1 -94.8 -76.4 175.5 31.2 17.7 53.4 107 114 A A H > S+ 0 0 52 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.920 130.5 47.4 -58.7 -43.5 35.0 17.2 52.9 108 115 A R H > S+ 0 0 220 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.907 112.8 50.9 -64.0 -40.1 34.3 15.1 49.8 109 116 A G H >4 S+ 0 0 12 1,-0.2 3,-1.0 2,-0.2 4,-0.2 0.924 110.5 44.6 -64.8 -47.7 31.9 17.8 48.6 110 117 A V H >X S+ 0 0 5 -4,-2.8 3,-1.5 1,-0.2 4,-0.5 0.734 95.6 77.0 -72.2 -19.5 34.1 20.9 49.0 111 118 A E H >X S+ 0 0 116 -4,-1.3 3,-1.3 -5,-0.3 4,-0.6 0.837 80.5 74.1 -57.5 -29.1 37.1 19.0 47.4 112 119 A R H << S+ 0 0 102 -3,-1.0 4,-0.3 -4,-0.5 -1,-0.3 0.817 104.7 33.6 -53.0 -36.2 35.3 19.7 44.1 113 120 A V H <> S+ 0 0 0 -3,-1.5 4,-2.2 -4,-0.2 -1,-0.3 0.380 91.8 97.5-103.2 4.5 36.3 23.4 44.2 114 121 A R H S+ 0 0 80 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.888 112.4 52.9 -62.0 -39.0 40.1 26.1 41.2 117 124 A S H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.895 107.1 51.0 -63.9 -40.6 40.2 27.9 44.6 118 125 A R H X S+ 0 0 99 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.909 110.6 50.4 -64.1 -39.4 44.0 27.4 44.9 119 126 A G H X S+ 0 0 27 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.927 110.2 48.0 -64.0 -45.4 44.4 28.8 41.4 120 127 A M H X S+ 0 0 33 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.886 112.0 51.2 -62.5 -39.5 42.3 31.9 42.1 121 128 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.911 106.3 53.1 -65.3 -43.4 44.2 32.5 45.4 122 129 A D H X S+ 0 0 27 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.870 108.2 52.0 -61.6 -34.3 47.6 32.2 43.7 123 130 A E H X S+ 0 0 139 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.916 110.3 47.7 -67.9 -41.6 46.5 34.9 41.2 124 131 A L H X S+ 0 0 45 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.930 116.0 44.1 -63.7 -45.7 45.4 37.2 44.0 125 132 A V H X S+ 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.910 113.3 50.2 -65.6 -44.7 48.7 36.7 45.9 126 133 A D H X S+ 0 0 46 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.872 108.0 53.7 -62.3 -37.4 50.9 37.0 42.8 127 134 A A H X S+ 0 0 44 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.885 109.3 49.5 -63.2 -38.4 49.1 40.3 41.8 128 135 A M H X S+ 0 0 10 -4,-1.6 4,-1.3 2,-0.2 -2,-0.2 0.933 111.1 48.2 -65.5 -46.5 50.0 41.6 45.3 129 136 A L H < S+ 0 0 44 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.895 110.7 52.2 -60.8 -41.3 53.6 40.6 45.0 130 137 A R H < S+ 0 0 194 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.886 106.7 51.6 -63.2 -42.7 53.8 42.2 41.5 131 138 A A H < S- 0 0 91 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.775 110.6-134.9 -66.8 -26.5 52.4 45.5 42.7 132 139 A G < - 0 0 25 -4,-1.3 -1,-0.1 -3,-0.2 -2,-0.1 0.098 34.2 -17.6 89.7 157.0 55.0 45.5 45.5 133 140 A P S S+ 0 0 45 0, 0.0 262,-0.1 0, 0.0 2,-0.1 -0.393 92.0 47.3 -83.3 159.9 55.0 46.3 49.3 134 141 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 261,-0.2 0.603 71.8 155.0 -84.4 169.6 53.6 47.5 51.5 135 142 A A E -H 394 0D 26 259,-2.4 259,-2.9 -2,-0.1 2,-0.7 -0.906 48.6-105.9-146.6 173.6 50.0 46.3 51.0 136 143 A D E > -H 393 0D 50 -2,-0.3 4,-2.8 257,-0.2 5,-0.3 -0.916 25.0-160.9-106.4 104.3 46.7 45.6 52.9 137 144 A L H >>S+ 0 0 1 255,-2.6 5,-2.1 -2,-0.7 4,-1.9 0.811 89.1 54.4 -56.2 -31.4 46.5 41.8 53.1 138 145 A T H 4>S+ 0 0 15 3,-0.2 5,-2.7 2,-0.2 -1,-0.2 0.963 113.8 37.4 -69.3 -51.8 42.8 42.1 53.8 139 146 A E H 45S+ 0 0 134 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.879 122.4 45.6 -68.3 -35.7 41.9 44.1 50.7 140 147 A A H <5S- 0 0 29 -4,-2.8 -1,-0.2 3,-0.1 -2,-0.2 0.794 138.1 -12.5 -78.9 -29.2 44.4 42.3 48.5 141 148 A V T X5S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -3,-0.2 0.613 121.8 59.3-137.7 -56.4 43.6 38.7 49.5 142 149 A L T 4 S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.875 107.9 62.6 -65.2 -35.5 38.2 38.8 47.6 145 152 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.939 103.0 45.3 -57.1 -53.7 39.2 35.1 48.0 146 153 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.860 112.0 53.9 -59.8 -34.8 36.2 34.0 50.2 147 154 A I H X S+ 0 0 14 -4,-1.0 4,-1.9 2,-0.2 -2,-0.2 0.932 110.4 46.3 -64.3 -45.2 33.8 35.8 47.9 148 155 A A H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.903 112.3 51.5 -64.7 -40.3 35.2 34.0 44.9 149 156 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.937 111.1 44.0 -65.3 -48.0 35.1 30.6 46.6 150 157 A I H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 6,-0.2 0.898 113.7 51.9 -67.4 -35.5 31.5 30.7 47.8 151 158 A C H X>S+ 0 0 0 -4,-1.9 5,-2.5 -5,-0.3 4,-1.9 0.911 110.4 49.5 -64.1 -39.6 30.3 32.0 44.4 152 159 A E H <5S+ 0 0 49 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.932 113.3 45.0 -63.5 -46.9 32.2 29.2 42.7 153 160 A L H <5S+ 0 0 1 -4,-2.4 54,-2.3 1,-0.2 -1,-0.2 0.867 115.6 48.1 -65.5 -36.5 30.7 26.5 45.0 154 161 A M H <5S- 0 0 0 -4,-2.5 54,-2.0 52,-0.2 55,-0.2 0.767 112.7-116.5 -75.5 -27.8 27.2 28.1 44.6 155 162 A G T <5 + 0 0 24 -4,-1.9 -3,-0.2 1,-0.3 -4,-0.1 0.682 59.4 153.6 96.7 21.1 27.3 28.4 40.8 156 163 A V < - 0 0 5 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.734 50.9-109.3 -86.1 124.9 27.2 32.2 40.7 157 164 A P > - 0 0 61 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.210 22.4-123.0 -53.0 140.8 28.9 33.6 37.6 158 165 A A G > S+ 0 0 58 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.814 108.4 68.0 -55.7 -33.4 32.1 35.5 38.3 159 166 A T G 3 S+ 0 0 119 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.667 100.0 50.5 -62.8 -16.4 30.8 38.6 36.7 160 167 A D G <> S+ 0 0 42 -3,-2.1 4,-2.4 1,-0.1 -1,-0.3 0.343 77.0 100.3-104.6 5.9 28.3 38.9 39.6 161 168 A R H <> S+ 0 0 71 -3,-1.7 4,-2.3 1,-0.2 5,-0.2 0.914 83.2 50.9 -56.8 -44.7 30.7 38.5 42.5 162 169 A H H > S+ 0 0 140 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.902 110.2 48.8 -61.3 -43.3 30.8 42.3 43.1 163 170 A S H > S+ 0 0 46 -4,-0.2 4,-2.7 2,-0.2 5,-0.2 0.930 109.9 52.1 -62.3 -46.4 27.0 42.5 43.2 164 171 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.920 110.4 48.9 -54.8 -46.9 26.7 39.6 45.6 165 172 A H H X S+ 0 0 31 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.900 110.4 49.6 -62.1 -42.9 29.2 41.3 48.0 166 173 A T H X S+ 0 0 51 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.920 112.4 48.1 -63.8 -41.8 27.4 44.6 47.9 167 174 A W H X S+ 0 0 46 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.906 110.7 51.5 -64.7 -40.8 24.1 42.9 48.6 168 175 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.929 109.4 50.9 -61.3 -43.8 25.7 41.0 51.5 169 176 A Q H X S+ 0 0 100 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.863 108.8 50.8 -62.0 -38.6 27.0 44.3 52.9 170 177 A L H X S+ 0 0 65 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.922 111.0 48.1 -65.7 -43.9 23.6 45.9 52.8 171 178 A I H X S+ 0 0 17 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.935 115.4 44.2 -62.1 -47.1 22.0 43.1 54.6 172 179 A L H X S+ 0 0 55 -4,-2.5 4,-1.5 1,-0.2 3,-0.4 0.888 110.3 55.4 -66.0 -38.2 24.7 43.0 57.3 173 180 A S H <>S+ 0 0 51 -4,-2.5 5,-1.8 1,-0.2 -1,-0.2 0.884 103.0 57.5 -60.8 -37.1 24.6 46.8 57.5 174 181 A S H ><5S+ 0 0 21 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.827 101.7 54.7 -62.5 -33.5 20.8 46.5 58.2 175 182 A S H 3<5S+ 0 0 0 -4,-1.1 -97,-1.5 -3,-0.4 -1,-0.2 0.885 99.2 61.6 -68.2 -37.2 21.6 44.3 61.2 176 183 A H T 3<5S- 0 0 92 -4,-1.5 -1,-0.3 -99,-0.2 -2,-0.2 0.509 132.1 -92.5 -66.9 -3.5 23.8 46.9 62.6 177 184 A G T < 5S+ 0 0 25 -3,-1.1 -3,-0.2 1,-0.3 -2,-0.1 0.282 78.5 146.8 109.8 -10.0 20.8 49.2 62.8 178 185 A A < - 0 0 35 -5,-1.8 2,-0.7 -6,-0.2 -1,-0.3 -0.233 54.0-113.0 -58.8 148.1 21.2 50.8 59.4 179 186 A E + 0 0 170 2,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.777 48.3 158.5 -90.0 115.7 18.0 51.7 57.6 180 187 A V - 0 0 27 -2,-0.7 5,-0.1 -6,-0.1 -3,-0.0 -0.990 38.7-119.6-140.2 127.7 17.5 49.6 54.5 181 188 A S >> - 0 0 72 -2,-0.4 4,-1.6 1,-0.1 3,-1.6 -0.288 22.7-120.8 -64.8 149.0 14.2 48.9 52.7 182 189 A E H 3> S+ 0 0 147 1,-0.3 4,-1.5 2,-0.2 -1,-0.1 0.836 116.6 63.2 -58.3 -30.2 13.0 45.3 52.4 183 190 A R H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.788 103.2 48.6 -64.2 -27.8 13.1 46.0 48.6 184 191 A A H X4 S+ 0 0 27 -3,-1.6 3,-0.8 1,-0.2 4,-0.2 0.861 112.2 46.0 -80.7 -38.5 16.9 46.6 49.0 185 192 A K H 3< S+ 0 0 28 -4,-1.6 3,-0.4 1,-0.2 4,-0.3 0.652 105.2 62.1 -79.0 -15.9 17.6 43.4 51.0 186 193 A N T 3X S+ 0 0 67 -4,-1.5 4,-2.2 -5,-0.2 -1,-0.2 0.306 75.3 92.3 -92.8 9.4 15.5 41.2 48.7 187 194 A E H <> S+ 0 0 95 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.885 88.9 46.5 -68.7 -38.0 17.6 41.9 45.6 188 195 A M H > S+ 0 0 1 -3,-0.4 4,-2.4 -4,-0.2 5,-0.2 0.851 109.7 57.2 -70.5 -31.9 19.7 38.8 46.4 189 196 A N H > S+ 0 0 67 -4,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.921 108.4 44.4 -62.3 -45.3 16.5 37.0 46.9 190 197 A A H X S+ 0 0 55 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.865 110.7 56.3 -67.7 -35.3 15.3 37.9 43.4 191 198 A Y H X S+ 0 0 44 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.929 112.1 40.1 -62.5 -47.6 18.7 37.0 42.0 192 199 A F H X>S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.5 0.785 108.4 61.8 -73.7 -26.6 18.6 33.5 43.4 193 200 A S H X5S+ 0 0 43 -4,-1.8 4,-1.7 -5,-0.2 5,-0.3 0.910 111.2 40.9 -63.7 -38.9 14.9 33.1 42.5 194 201 A D H X>S+ 0 0 62 -4,-1.8 4,-2.4 3,-0.2 5,-1.9 0.949 117.1 46.9 -71.9 -49.8 16.0 33.5 38.9 195 202 A L H <5S+ 0 0 17 -4,-2.4 -2,-0.2 3,-0.2 -3,-0.2 0.903 123.7 32.2 -60.1 -45.0 19.1 31.4 39.1 196 203 A I H <5S+ 0 0 7 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.2 0.912 127.8 37.6 -79.7 -45.5 17.4 28.5 40.9 197 204 A G H < S- 0 0 38 1,-0.1 4,-2.0 -51,-0.0 3,-0.4 -0.274 88.1-101.9 -69.7 163.3 27.0 23.2 42.3 207 214 A V H > S+ 0 0 0 -54,-2.3 4,-2.5 1,-0.2 5,-0.2 0.885 119.5 50.0 -56.6 -45.3 24.7 24.3 45.2 208 215 A T H > S+ 0 0 1 -54,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.841 109.8 52.9 -65.7 -29.7 22.1 26.2 43.1 209 216 A S H > S+ 0 0 11 -3,-0.4 4,-2.4 -55,-0.2 -1,-0.2 0.917 109.9 47.7 -68.9 -42.5 21.8 23.2 40.7 210 217 A L H X S+ 0 0 53 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.907 113.0 49.0 -64.1 -41.1 21.2 20.9 43.6 211 218 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.936 110.7 50.2 -64.6 -44.9 18.6 23.3 45.0 212 219 A G H X S+ 0 0 15 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.910 111.9 47.6 -59.9 -41.7 16.9 23.6 41.7 213 220 A A H X S+ 0 0 43 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.858 109.2 53.6 -68.7 -34.1 16.7 19.9 41.3 214 221 A A H <>S+ 0 0 1 -4,-2.0 5,-2.6 2,-0.2 6,-0.8 0.874 109.4 48.7 -67.9 -36.9 15.3 19.4 44.8 215 222 A V H ><5S+ 0 0 36 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.912 108.5 54.6 -67.7 -41.4 12.6 21.9 44.0 216 223 A G H 3<5S+ 0 0 60 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.783 107.3 49.8 -62.4 -28.0 11.8 20.0 40.8 217 224 A R T 3<5S- 0 0 146 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.287 115.9-116.1 -93.1 9.2 11.4 16.8 42.8 218 225 A D T < 5S+ 0 0 150 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.790 81.1 122.7 61.4 32.4 9.0 18.5 45.2 219 226 A E S - 0 0 73 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.501 29.4-112.8 -87.9 162.7 9.8 24.9 47.8 222 229 A L H > S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 120.2 54.5 -58.8 -41.6 11.4 27.6 45.7 223 230 A S H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 108.5 46.6 -57.8 -45.7 11.0 29.9 48.7 224 231 A E H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 113.8 49.5 -63.9 -42.7 12.8 27.5 51.0 225 232 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.928 111.6 47.3 -61.6 -49.2 15.6 27.0 48.4 226 233 A V H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 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