==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-JUL-10 3NV5 . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: NOVOSPHINGOBIUM AROMATICIVORANS; . AUTHOR W.YANG,S.G.BELL,H.WANG,W.H.ZHOU,M.BARTLAM,L.L.WONG,Z.RAO . 399 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18152.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 9.0 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 . 3 0.8 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 . 16 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 143 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 2 1 3 1 1 2 0 0 2 1 1 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 11 A A 0 0 133 0, 0.0 50,-0.4 0, 0.0 49,-0.4 0.000 360.0 360.0 360.0 93.7 10.9 -14.3 16.0 2 12 A K - 0 0 119 47,-0.1 2,-0.3 48,-0.1 47,-0.2 -0.876 360.0-139.1-108.3 144.0 7.5 -15.7 14.8 3 13 A V - 0 0 69 45,-1.8 2,-0.1 -2,-0.4 49,-0.1 -0.728 31.2 -97.6 -98.3 152.3 5.0 -13.6 12.9 4 14 A E - 0 0 173 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.417 48.1 -94.4 -65.7 145.5 1.2 -13.8 13.7 5 15 A R - 0 0 105 -2,-0.1 -1,-0.1 1,-0.1 6,-0.0 -0.413 41.2-130.9 -63.6 122.1 -0.8 -16.0 11.4 6 16 A P > - 0 0 47 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.277 21.8-110.4 -70.1 161.4 -2.3 -14.0 8.5 7 17 A A T 3 S+ 0 0 115 1,-0.3 -2,-0.1 3,-0.0 0, 0.0 0.599 115.1 61.1 -68.8 -11.5 -6.0 -14.4 7.8 8 18 A N T 3 S+ 0 0 23 2,-0.1 297,-0.6 1,-0.1 -1,-0.3 0.381 87.8 82.0 -98.0 4.7 -5.2 -16.2 4.4 9 19 A V S < S- 0 0 4 -3,-1.5 -1,-0.1 295,-0.1 5,-0.1 -0.942 76.8-142.8-108.0 108.8 -3.3 -19.0 6.1 10 20 A P > - 0 0 54 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.244 23.7-111.5 -64.1 165.5 -5.7 -21.7 7.4 11 21 A E G > S+ 0 0 151 1,-0.3 3,-1.4 2,-0.2 -2,-0.0 0.884 112.8 58.1 -69.0 -37.9 -4.8 -23.3 10.6 12 22 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 33,-0.0 -3,-0.0 0.409 98.0 61.1 -79.2 6.5 -4.0 -26.7 9.2 13 23 A R G < S+ 0 0 38 -3,-1.1 33,-2.8 32,-0.1 2,-0.4 0.506 78.2 112.2-100.3 -8.1 -1.3 -25.3 6.9 14 24 A V B < +a 46 0A 46 -3,-1.4 2,-0.4 -4,-0.3 33,-0.2 -0.547 37.1 167.3 -76.6 121.7 0.9 -24.0 9.7 15 25 A Y - 0 0 59 31,-3.2 2,-1.8 -2,-0.4 -2,-0.0 -0.997 38.2-126.3-130.5 141.5 4.3 -25.7 10.3 16 26 A E + 0 0 119 -2,-0.4 2,-0.6 31,-0.2 31,-0.1 -0.485 49.7 155.5 -87.4 76.0 7.1 -24.5 12.4 17 27 A I - 0 0 14 -2,-1.8 2,-0.7 32,-0.1 32,-0.3 -0.891 29.4-166.8-114.2 118.3 9.9 -24.6 9.9 18 28 A D B > -F 21 0B 43 -2,-0.6 3,-1.4 3,-0.5 -2,-0.0 -0.899 8.7-159.2 -98.2 110.9 13.0 -22.4 10.1 19 29 A M T 3 S+ 0 0 2 -2,-0.7 3,-0.2 1,-0.3 -1,-0.1 0.642 95.3 48.9 -65.1 -16.2 14.7 -22.7 6.7 20 30 A Y T 3 S+ 0 0 102 1,-0.2 367,-0.4 366,-0.1 -1,-0.3 0.494 122.2 31.8 -97.2 -8.0 18.0 -21.5 8.5 21 31 A A B < S-F 18 0B 58 -3,-1.4 -3,-0.5 365,-0.1 2,-0.3 -0.620 79.4-173.3-150.9 81.1 17.6 -24.1 11.3 22 32 A L > - 0 0 8 -3,-0.2 3,-1.9 -2,-0.2 2,-0.2 -0.576 36.1-101.1 -83.3 140.4 16.0 -27.3 10.2 23 33 A N T 3 S+ 0 0 145 -2,-0.3 12,-0.1 1,-0.2 -1,-0.1 -0.431 110.1 9.5 -54.1 119.0 15.0 -30.0 12.7 24 34 A G T > S+ 0 0 8 -2,-0.2 3,-3.0 11,-0.0 4,-0.4 0.497 77.2 147.1 88.9 9.2 17.8 -32.7 12.3 25 35 A I G X + 0 0 28 -3,-1.9 3,-1.7 1,-0.3 7,-0.2 0.751 65.6 67.2 -47.7 -33.2 20.2 -30.7 10.1 26 36 A E G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.610 94.8 55.6 -69.3 -14.6 23.2 -32.4 11.7 27 37 A D G < S- 0 0 111 -3,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.477 131.5 -65.4 -89.5 -2.9 22.2 -35.7 10.2 28 38 A G <> - 0 0 0 -3,-1.7 4,-2.1 -4,-0.4 -1,-0.3 -0.382 36.9-102.4 131.4 153.0 22.3 -34.0 6.7 29 39 A Y H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.968 118.8 41.6 -66.8 -51.9 20.7 -31.2 4.6 30 40 A H H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 113.9 52.8 -65.8 -43.2 18.6 -33.5 2.4 31 41 A E H > S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.948 110.1 49.5 -52.8 -52.0 17.6 -35.8 5.3 32 42 A A H < S+ 0 0 0 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.863 112.1 45.7 -63.7 -39.5 16.4 -32.8 7.2 33 43 A W H >X S+ 0 0 1 -4,-2.1 4,-1.2 1,-0.2 3,-1.2 0.918 111.9 52.9 -66.9 -41.9 14.3 -31.3 4.3 34 44 A K H 3< S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.834 100.2 61.0 -61.9 -35.2 12.8 -34.8 3.6 35 45 A K T 3< S+ 0 0 134 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.700 103.6 52.9 -67.5 -15.3 11.8 -35.1 7.3 36 46 A V T <4 S+ 0 0 23 -3,-1.2 2,-2.2 -4,-0.5 -1,-0.2 0.856 95.8 69.8 -78.2 -39.2 9.6 -32.1 6.6 37 47 A Q S < S+ 0 0 15 -4,-1.2 -1,-0.2 -3,-0.1 3,-0.1 -0.457 73.8 173.2 -83.6 66.9 8.0 -33.7 3.6 38 48 A H > - 0 0 76 -2,-2.2 3,-1.9 -3,-0.2 -3,-0.1 -0.351 46.7 -78.7 -72.7 156.0 6.0 -36.3 5.6 39 49 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.337 119.7 18.7 -56.7 135.5 3.5 -38.5 3.7 40 50 A G T 3 S+ 0 0 78 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.348 83.2 155.4 87.6 -4.4 0.2 -36.5 3.1 41 51 A I < - 0 0 18 -3,-1.9 -1,-0.3 1,-0.1 4,-0.1 -0.310 50.6-104.9 -56.9 133.7 1.8 -33.1 3.6 42 52 A P - 0 0 36 0, 0.0 15,-0.1 0, 0.0 -1,-0.1 -0.267 24.7-115.5 -63.5 147.4 -0.2 -30.4 1.7 43 53 A D S S+ 0 0 53 1,-0.2 14,-2.4 13,-0.1 2,-0.4 0.765 106.1 34.2 -50.7 -32.4 1.3 -28.9 -1.5 44 54 A L E S+ B 0 56A 0 258,-0.3 -1,-0.2 12,-0.2 2,-0.2 -0.972 73.3 172.2-131.9 113.0 1.6 -25.5 0.1 45 55 A I E - B 0 55A 0 10,-2.0 10,-2.1 -2,-0.4 2,-0.3 -0.605 20.0-134.7-108.6 177.4 2.3 -25.1 3.8 46 56 A W E -aB 14 54A 9 -33,-2.8 -31,-3.2 8,-0.3 8,-0.2 -0.996 11.0-163.5-141.6 139.1 3.1 -22.0 5.9 47 57 A T E - B 0 53A 0 6,-2.5 6,-1.8 -2,-0.3 -31,-0.2 -0.953 19.5-148.6-124.6 140.4 5.7 -21.0 8.6 48 58 A P S > S+ 0 0 7 0, 0.0 -45,-1.8 0, 0.0 3,-0.5 0.564 75.4 93.5 -79.6 -8.8 5.8 -18.0 11.1 49 59 A F G > S+ 0 0 47 -32,-0.3 3,-2.6 1,-0.2 -2,-0.1 -0.296 79.8 22.9 -78.6 164.8 9.6 -18.0 11.0 50 60 A T G 3 S- 0 0 24 -49,-0.4 31,-0.3 1,-0.3 -1,-0.2 0.771 143.1 -44.7 52.4 31.5 11.8 -15.8 8.7 51 61 A G G < S- 0 0 57 -3,-0.5 -1,-0.3 -50,-0.4 -2,-0.2 0.307 101.5 -76.6 100.5 -6.5 9.0 -13.3 8.3 52 62 A G < + 0 0 15 -3,-2.6 2,-0.3 1,-0.1 259,-0.2 0.617 69.8 158.7 77.1 119.8 6.2 -15.8 7.7 53 63 A H E -B 47 0A 1 -6,-1.8 -6,-2.5 -4,-0.1 259,-0.2 -0.987 38.2-103.6-164.4 160.1 5.9 -17.5 4.2 54 64 A W E -Bc 46 312A 1 257,-3.0 259,-2.8 -2,-0.3 2,-0.4 -0.406 28.2-148.7 -83.2 167.1 4.6 -20.5 2.4 55 65 A I E -Bc 45 313A 1 -10,-2.1 -10,-2.0 257,-0.2 2,-0.4 -0.995 13.1-131.6-138.1 128.7 6.7 -23.4 1.3 56 66 A A E -B 44 0A 0 257,-2.8 -12,-0.2 -2,-0.4 262,-0.1 -0.713 23.8-167.3 -75.3 131.5 6.2 -25.5 -1.8 57 67 A T + 0 0 1 -14,-2.4 2,-0.3 -2,-0.4 -13,-0.1 0.386 54.0 33.3-110.1 4.2 6.4 -29.2 -0.6 58 68 A N S > S- 0 0 26 -15,-0.4 4,-2.1 1,-0.1 3,-0.2 -0.940 83.7 -97.3-149.9 171.3 6.7 -31.5 -3.6 59 69 A G H > S+ 0 0 0 259,-0.4 4,-2.8 260,-0.3 5,-0.2 0.885 117.0 56.4 -58.4 -43.4 8.1 -31.6 -7.2 60 70 A D H > S+ 0 0 84 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.883 112.0 40.3 -57.0 -43.8 4.8 -30.7 -8.8 61 71 A T H > S+ 0 0 0 -3,-0.2 4,-3.4 2,-0.2 5,-0.3 0.917 113.6 52.7 -77.4 -42.3 4.4 -27.4 -6.9 62 72 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.953 111.7 48.1 -54.7 -51.7 8.1 -26.4 -7.0 63 73 A K H X S+ 0 0 98 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.927 115.9 43.2 -52.9 -52.9 8.1 -26.9 -10.9 64 74 A E H >< S+ 0 0 56 -4,-1.8 3,-1.4 -5,-0.2 4,-0.3 0.930 113.9 48.2 -68.0 -45.3 4.9 -24.9 -11.3 65 75 A V H >< S+ 0 0 0 -4,-3.4 3,-0.9 1,-0.3 -1,-0.2 0.939 111.4 53.8 -61.1 -41.6 5.8 -22.1 -8.9 66 76 A Y H 3< S+ 0 0 16 -4,-3.0 283,-0.3 -5,-0.3 280,-0.3 0.579 109.5 48.4 -59.9 -14.4 9.3 -21.8 -10.7 67 77 A S T << S+ 0 0 65 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.257 91.2 71.3-127.1 14.4 7.8 -21.4 -14.1 68 78 A D X> + 0 0 37 -3,-0.9 4,-3.1 -4,-0.3 3,-1.2 -0.666 43.7 176.3-132.4 85.5 5.1 -18.8 -14.1 69 79 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.662 81.3 63.6 -58.5 -19.6 6.4 -15.2 -13.7 70 80 A T T 34 S+ 0 0 93 1,-0.1 3,-0.2 2,-0.1 -2,-0.0 0.884 117.6 25.4 -71.6 -37.4 2.9 -13.9 -14.2 71 81 A R T <4 S+ 0 0 66 -3,-1.2 225,-2.1 1,-0.3 226,-0.5 0.782 134.1 33.7 -97.0 -28.9 1.7 -15.6 -11.0 72 82 A F E < S-D 295 0A 2 -4,-3.1 -1,-0.3 223,-0.3 223,-0.2 -0.929 79.1-159.5-137.8 109.3 5.0 -15.8 -9.2 73 83 A S E -D 294 0A 2 221,-3.0 221,-3.2 -2,-0.4 3,-0.4 -0.481 27.3-137.7 -98.7 152.4 7.5 -13.0 -9.6 74 84 A S S S+ 0 0 0 219,-0.2 3,-0.2 1,-0.2 -1,-0.1 0.297 75.9 110.7 -82.1 8.3 11.2 -12.7 -9.1 75 85 A E S S+ 0 0 101 1,-0.2 2,-0.5 219,-0.2 -1,-0.2 0.934 93.3 17.3 -51.5 -51.7 10.6 -9.3 -7.5 76 86 A V S S+ 0 0 28 -3,-0.4 -1,-0.2 1,-0.1 218,-0.1 -0.994 70.2 162.4-117.2 128.6 11.7 -10.7 -4.2 77 87 A I + 0 0 2 -2,-0.5 215,-2.6 -3,-0.2 2,-0.3 0.510 53.2 70.9-120.3 -9.2 13.6 -14.0 -4.3 78 88 A F S S- 0 0 79 213,-0.2 213,-0.1 3,-0.2 235,-0.0 -0.801 77.4-106.1-113.7 151.7 15.2 -14.2 -0.9 79 89 A L S S+ 0 0 4 -2,-0.3 2,-0.2 2,-0.1 -28,-0.1 -0.978 98.7 43.4-121.8 134.0 13.8 -14.8 2.6 80 90 A P S S- 0 0 50 0, 0.0 -29,-0.1 0, 0.0 -2,-0.1 0.610 101.4-113.4 -71.9 164.0 13.4 -12.9 4.8 81 91 A K 0 0 97 -31,-0.3 -3,-0.2 -2,-0.2 -4,-0.1 0.624 360.0 360.0 -45.6 -23.4 12.0 -10.3 2.4 82 92 A E 0 0 138 -6,-0.1 3,-0.1 2,-0.0 -1,-0.1 -0.574 360.0 360.0 -75.3 360.0 15.0 -7.9 3.0 83 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 84 95 A E 0 0 131 0, 0.0 3,-0.0 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -12.2 17.5 -6.3 -1.2 85 96 A K + 0 0 164 1,-0.1 2,-0.7 -3,-0.1 -3,-0.0 0.700 360.0 70.7 -86.8 -26.3 19.9 -3.3 -1.8 86 97 A Y - 0 0 83 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.857 66.9-163.9 -98.3 112.7 21.8 -5.4 -4.4 87 98 A Q - 0 0 112 -2,-0.7 5,-0.4 1,-0.1 -1,-0.1 0.820 7.7-162.9 -60.3 -38.4 19.8 -5.9 -7.6 88 99 A M > - 0 0 42 1,-0.1 3,-1.8 3,-0.1 4,-0.2 0.923 41.3-114.7 48.4 49.4 21.9 -8.7 -8.8 89 100 A V T 3 S+ 0 0 10 1,-0.3 149,-0.2 2,-0.2 -1,-0.1 -0.316 84.9 12.5 -63.5 136.8 20.4 -8.0 -12.2 90 101 A P T > S+ 0 0 2 0, 0.0 3,-3.1 0, 0.0 -1,-0.3 -0.942 103.3 84.4-103.4 16.6 18.6 -9.8 -13.8 91 102 A T T < S+ 0 0 31 -3,-1.8 -2,-0.2 1,-0.3 -3,-0.1 0.668 102.3 43.0 -52.8 -17.1 17.9 -12.4 -11.0 92 103 A K T 3 S+ 0 0 39 -5,-0.4 -1,-0.3 -4,-0.2 2,-0.3 0.311 96.0 94.9-113.2 8.6 15.1 -10.1 -9.8 93 104 A M < - 0 0 44 -3,-3.1 -19,-0.0 -6,-0.1 0, 0.0 -0.681 60.1-147.5 -90.4 151.3 13.6 -9.1 -13.2 94 105 A D > - 0 0 39 -2,-0.3 4,-2.2 -21,-0.1 3,-0.5 -0.661 45.5 -49.0 -97.3 166.6 10.6 -10.7 -14.8 95 106 A P T 4 S+ 0 0 55 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.653 121.0 29.5 -64.3 139.4 10.2 -11.1 -18.6 96 107 A P T >4 S+ 0 0 97 0, 0.0 3,-0.8 0, 0.0 -3,-0.0 -0.977 125.4 45.7 -94.7 -7.2 10.5 -9.0 -20.7 97 108 A E T 3> S+ 0 0 115 -3,-0.5 4,-0.6 1,-0.2 -4,-0.1 0.880 112.1 54.6 -54.1 -41.1 13.0 -7.0 -18.7 98 109 A H H 3X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.783 91.4 79.2 -62.4 -31.4 15.0 -10.1 -17.8 99 110 A T H <> S+ 0 0 78 -3,-0.8 4,-1.9 1,-0.3 -1,-0.2 0.812 90.0 42.1 -64.0 -48.0 15.4 -11.2 -21.3 100 111 A P H > S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.860 115.7 51.6 -70.2 -30.8 18.2 -9.2 -22.9 101 112 A Y H X S+ 0 0 31 -4,-0.6 4,-2.5 -3,-0.3 -2,-0.2 0.916 109.0 51.3 -65.5 -42.8 20.4 -9.5 -19.7 102 113 A R H X S+ 0 0 47 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.874 106.2 55.8 -60.5 -38.0 19.8 -13.2 -19.8 103 114 A K H X S+ 0 0 103 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.911 106.0 49.5 -64.8 -40.6 21.0 -13.1 -23.4 104 115 A A H >X S+ 0 0 1 -4,-2.0 3,-1.0 1,-0.2 4,-0.8 0.980 112.1 49.7 -58.4 -49.9 24.3 -11.5 -22.4 105 116 A L H >X S+ 0 0 11 -4,-2.5 3,-1.1 1,-0.3 4,-0.9 0.898 107.5 53.9 -54.1 -44.7 24.7 -14.2 -19.7 106 117 A D H 3X S+ 0 0 45 -4,-2.8 4,-1.8 1,-0.2 -1,-0.3 0.744 92.6 71.5 -67.2 -21.3 24.0 -16.9 -22.3 107 118 A K H << S+ 0 0 61 -4,-1.3 -1,-0.2 -3,-1.0 -2,-0.2 0.861 110.6 32.6 -59.7 -33.6 26.8 -15.7 -24.6 108 119 A G H << S+ 0 0 2 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.581 126.5 39.6 -94.9 -11.5 29.3 -16.9 -22.0 109 120 A L H < S+ 0 0 12 -4,-0.9 246,-0.3 -3,-0.1 247,-0.3 0.522 76.8 124.5-122.2 -4.3 27.5 -19.9 -20.7 110 121 A N S X S- 0 0 63 -4,-1.8 4,-2.8 -5,-0.1 3,-0.2 -0.098 71.4-106.9 -63.7 160.5 25.7 -21.7 -23.5 111 122 A L H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.846 118.1 49.1 -55.3 -44.2 26.3 -25.4 -24.2 112 123 A A H > S+ 0 0 55 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.883 113.2 48.4 -69.1 -36.4 28.4 -24.9 -27.4 113 124 A K H >4 S+ 0 0 37 -3,-0.2 3,-1.0 1,-0.2 4,-0.3 0.918 107.9 54.1 -66.5 -45.8 30.5 -22.3 -25.6 114 125 A I H >X S+ 0 0 6 -4,-2.8 3,-1.9 1,-0.2 4,-0.5 0.876 96.7 66.9 -62.0 -34.8 31.1 -24.6 -22.6 115 126 A R H >< S+ 0 0 157 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.858 99.7 51.0 -46.7 -40.6 32.4 -27.4 -24.8 116 127 A K T << S+ 0 0 141 -3,-1.0 -1,-0.3 -4,-0.7 3,-0.2 0.537 104.2 57.4 -81.1 -5.5 35.4 -25.3 -25.7 117 128 A V T <> S+ 0 0 18 -3,-1.9 4,-2.1 -4,-0.3 3,-0.5 0.465 76.5 101.1-104.1 -2.0 36.2 -24.6 -22.1 118 129 A E H S+ 0 0 122 -3,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 109.1 48.8 -73.8 -36.5 40.3 -28.5 -21.2 120 131 A K H > S+ 0 0 93 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.924 112.8 48.3 -63.5 -47.5 40.8 -25.5 -18.9 121 132 A V H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.932 113.4 47.9 -57.9 -45.3 38.2 -27.0 -16.4 122 133 A R H X S+ 0 0 47 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.869 108.9 54.2 -63.2 -36.0 40.0 -30.3 -16.6 123 134 A E H X S+ 0 0 127 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.867 109.3 48.8 -67.0 -35.3 43.3 -28.5 -16.1 124 135 A V H X S+ 0 0 15 -4,-2.2 4,-2.5 2,-0.2 3,-0.3 0.982 113.7 45.2 -66.7 -54.1 41.9 -27.0 -12.9 125 136 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.908 113.8 47.8 -56.0 -47.7 40.6 -30.3 -11.6 126 137 A S H X S+ 0 0 41 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.818 113.3 50.5 -67.9 -29.5 43.8 -32.3 -12.4 127 138 A S H X S+ 0 0 72 -4,-1.5 4,-1.4 -3,-0.3 -2,-0.2 0.942 110.3 46.8 -65.6 -56.6 45.9 -29.5 -10.7 128 139 A L H >< S+ 0 0 12 -4,-2.5 3,-0.8 1,-0.2 4,-0.5 0.947 115.0 46.9 -51.1 -52.3 43.9 -29.3 -7.5 129 140 A I H >X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.9 0.810 104.9 61.0 -63.1 -30.2 43.9 -33.1 -7.2 130 141 A D H 3< S+ 0 0 101 -4,-1.1 4,-0.5 1,-0.2 -1,-0.2 0.841 92.0 68.4 -66.7 -33.6 47.7 -33.3 -7.9 131 142 A S T << S+ 0 0 84 -4,-1.4 -1,-0.2 -3,-0.8 -2,-0.2 0.799 121.5 11.0 -50.7 -36.1 48.3 -31.1 -4.9 132 143 A F T X>>S+ 0 0 2 -3,-0.9 3,-1.1 -4,-0.5 4,-0.7 0.437 92.1 103.7-130.1 -6.8 47.2 -34.0 -2.5 133 144 A A G ><5S+ 0 0 9 -4,-2.2 3,-1.0 1,-0.2 -3,-0.1 0.895 86.1 51.8 -46.0 -46.1 46.9 -37.2 -4.5 134 145 A A G 345S+ 0 0 105 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.762 99.2 66.9 -66.8 -26.4 50.2 -38.6 -3.1 135 146 A R G <45S- 0 0 133 -3,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.706 92.7-134.7 -66.0 -28.2 49.2 -37.9 0.5 136 147 A G T <<5S+ 0 0 12 -3,-1.0 264,-2.3 -4,-0.7 2,-0.3 0.566 78.2 62.8 75.7 8.0 46.5 -40.4 0.8 137 148 A E E < +G 399 0C 109 -5,-0.6 2,-0.3 262,-0.2 262,-0.2 -0.975 48.9 149.9-159.0 146.1 44.3 -37.8 2.6 138 149 A C E -G 398 0C 6 260,-1.7 260,-3.5 -2,-0.3 2,-0.8 -0.967 47.5-109.9-157.3 165.5 42.6 -34.4 2.2 139 150 A D E > -G 397 0C 40 -2,-0.3 4,-3.1 258,-0.3 5,-0.4 -0.908 33.9-160.7 -86.8 106.7 39.7 -32.3 3.4 140 151 A F H >>S+ 0 0 0 256,-3.2 5,-2.3 -2,-0.8 4,-1.8 0.903 85.6 54.2 -60.6 -41.4 37.8 -32.4 0.1 141 152 A A H 4>S+ 0 0 3 255,-0.2 5,-2.7 3,-0.2 6,-0.3 0.969 119.9 29.8 -54.9 -56.1 35.7 -29.3 1.1 142 153 A A H 45S+ 0 0 44 1,-0.2 -2,-0.2 3,-0.2 -1,-0.2 0.783 125.5 42.8 -79.7 -27.9 38.7 -27.1 1.9 143 154 A E H <5S+ 0 0 60 -4,-3.1 -1,-0.2 3,-0.1 -3,-0.2 0.619 135.3 1.6 -98.8 -12.3 41.3 -28.5 -0.5 144 155 A Y T >X5S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.4 3,-0.8 0.547 124.0 52.0-129.7 -64.4 39.2 -28.9 -3.6 145 156 A A T 34 S+ 0 0 68 -3,-0.8 4,-2.1 -6,-0.3 -2,-0.2 0.805 99.1 70.8 -93.7 -34.1 39.1 -23.8 -4.4 148 159 A F H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 5,-0.2 0.876 93.7 49.3 -57.8 -50.7 37.7 -25.1 -7.7 149 160 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.878 112.2 48.4 -62.8 -40.1 35.0 -22.6 -8.6 150 161 A V H > S+ 0 0 9 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.958 110.8 51.0 -63.3 -48.3 37.3 -19.6 -8.1 151 162 A H H X S+ 0 0 43 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.827 111.5 49.0 -55.4 -34.7 40.0 -21.2 -10.2 152 163 A V H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.890 107.2 54.5 -75.1 -38.6 37.4 -21.9 -12.9 153 164 A F H X S+ 0 0 13 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.937 106.1 52.9 -58.3 -45.7 36.3 -18.3 -12.8 154 165 A M H <>S+ 0 0 1 -4,-2.3 5,-2.8 1,-0.2 4,-0.3 0.878 112.3 44.0 -55.1 -46.7 39.9 -17.0 -13.4 155 166 A A H <5S+ 0 0 25 -4,-1.4 3,-0.4 3,-0.2 -1,-0.2 0.888 118.0 45.4 -65.9 -40.9 40.3 -19.2 -16.5 156 167 A L H <5S+ 0 0 14 -4,-2.7 57,-2.1 1,-0.2 -2,-0.2 0.822 119.9 38.5 -75.1 -32.5 36.8 -18.3 -17.8 157 168 A A T <5S- 0 0 0 -4,-3.2 -1,-0.2 55,-0.2 -2,-0.2 0.311 111.2-122.2 -97.1 5.4 37.2 -14.5 -17.1 158 169 A D T 5 + 0 0 90 -3,-0.4 -3,-0.2 -4,-0.3 -4,-0.1 0.977 55.4 158.0 48.4 72.2 40.9 -14.7 -18.2 159 170 A L < - 0 0 13 -5,-2.8 -1,-0.2 -6,-0.0 2,-0.2 -0.915 50.4 -92.8-127.7 147.6 42.4 -13.4 -15.0 160 171 A P > - 0 0 62 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.434 30.0-136.2 -63.9 127.7 45.8 -13.8 -13.5 161 172 A L G > S+ 0 0 93 1,-0.3 3,-1.3 -2,-0.2 -7,-0.1 0.695 99.5 70.8 -56.3 -19.7 45.9 -16.8 -11.2 162 173 A E G 3 S+ 0 0 154 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.415 85.7 67.6 -84.8 5.5 47.8 -14.7 -8.6 163 174 A D G <> + 0 0 45 -3,-1.9 4,-2.5 1,-0.1 5,-0.3 0.326 68.3 102.0-100.3 0.6 44.7 -12.7 -7.8 164 175 A I H <> S+ 0 0 28 -3,-1.3 4,-3.1 1,-0.2 5,-0.2 0.907 76.8 54.7 -49.9 -46.0 43.0 -15.7 -6.3 165 176 A P H > S+ 0 0 95 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.943 111.5 42.6 -59.3 -46.1 43.6 -14.4 -2.7 166 177 A V H > S+ 0 0 45 -4,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.906 118.0 45.1 -68.1 -39.5 42.0 -11.0 -3.3 167 178 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.892 110.3 54.8 -71.8 -34.8 39.0 -12.4 -5.2 168 179 A S H X S+ 0 0 45 -4,-3.1 4,-3.0 -5,-0.3 -2,-0.2 0.936 107.7 50.4 -60.9 -46.4 38.5 -15.3 -2.7 169 180 A E H X S+ 0 0 110 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.947 111.9 46.3 -53.3 -56.0 38.3 -12.7 0.1 170 181 A Y H X S+ 0 0 51 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.893 112.9 50.9 -58.6 -39.3 35.7 -10.6 -1.9 171 182 A A H X S+ 0 0 5 -4,-2.7 4,-2.6 2,-0.2 5,-0.4 0.918 107.1 53.4 -60.9 -45.7 33.7 -13.8 -2.7 172 183 A R H X S+ 0 0 61 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.959 113.4 43.4 -53.4 -51.4 33.8 -14.8 1.1 173 184 A Q H < S+ 0 0 16 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 117.0 46.8 -64.8 -36.5 32.3 -11.4 2.0 174 185 A M H < S+ 0 0 14 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.804 122.5 31.9 -73.1 -31.4 29.8 -11.5 -0.9 175 186 A T H < S+ 0 0 30 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.837 132.7 21.6-102.6 -41.1 28.5 -15.1 -0.4 176 187 A R S < S- 0 0 102 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.1 -0.556 82.0-170.7-127.7 71.0 28.7 -15.7 3.4 177 188 A P 0 0 34 0, 0.0 6,-0.1 0, 0.0 -4,-0.1 -0.050 360.0 360.0 -59.6 160.2 28.7 -12.2 5.1 178 189 A E 0 0 142 5,-0.1 4,-0.2 4,-0.1 6,-0.1 0.579 360.0 360.0-141.6 360.0 29.4 -11.7 8.8 179 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 180 193 A P 0 0 153 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.2 25.2 -8.1 14.0 181 194 A E + 0 0 158 -3,-0.0 2,-0.4 0, 0.0 3,-0.2 -0.505 360.0 80.2-108.5 51.4 23.3 -6.5 12.4 182 195 A E + 0 0 120 -4,-0.2 4,-0.1 1,-0.2 -4,-0.1 -0.791 27.2 124.3-126.9 87.0 26.0 -5.3 10.0 183 196 A M > + 0 0 67 -2,-0.4 4,-4.1 2,-0.1 5,-0.3 0.140 67.5 90.1-103.4 -2.9 27.0 -7.6 7.4 184 197 A A H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.952 91.0 40.2 -51.3 -48.0 25.9 -4.6 5.6 185 198 A T H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.856 116.9 49.3 -68.9 -35.9 29.5 -3.5 6.0 186 199 A D H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.940 112.0 47.7 -71.9 -48.3 30.8 -7.0 5.2 187 200 A L H X S+ 0 0 40 -4,-4.1 4,-3.0 1,-0.2 -2,-0.2 0.913 112.3 50.0 -51.6 -53.2 28.6 -7.4 2.1 188 201 A E H X>S+ 0 0 97 -4,-2.1 4,-2.7 -5,-0.3 5,-0.5 0.839 104.8 56.6 -60.3 -37.5 29.7 -3.9 0.8 189 202 A A H X5S+ 0 0 42 -4,-1.8 4,-2.1 3,-0.2 -1,-0.2 0.972 114.5 40.7 -57.8 -50.0 33.4 -4.7 1.4 190 203 A G H X5S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.953 120.8 41.8 -57.4 -58.0 32.9 -7.8 -0.9 191 204 A N H X5S+ 0 0 24 -4,-3.0 4,-2.4 1,-0.2 -3,-0.2 0.938 119.0 42.3 -62.1 -52.4 30.7 -6.0 -3.4 192 205 A N H X5S+ 0 0 91 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.874 114.1 53.0 -63.7 -36.2 32.6 -2.7 -3.7 193 206 A G H XX S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-0.6 0.790 94.1 89.9 -81.9 -28.4 37.0 -5.4 -12.4 199 212 A D H 3X S+ 0 0 32 -4,-2.2 4,-1.8 -5,-0.3 5,-0.2 0.828 91.8 39.2 -38.5 -58.9 36.5 -1.8 -13.3 200 213 A P H 3> S+ 0 0 78 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.870 113.4 55.0 -69.3 -30.9 39.7 -1.3 -15.3 201 214 A I H <> S+ 0 0 30 -3,-0.6 4,-1.0 -4,-0.4 -2,-0.2 0.888 106.2 54.7 -63.8 -36.5 39.5 -4.8 -17.0 202 215 A I H >X S+ 0 0 3 -4,-2.6 4,-1.4 2,-0.2 3,-0.5 0.949 110.9 43.1 -57.1 -51.7 36.0 -3.8 -18.1 203 216 A R H 3< S+ 0 0 145 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.854 113.6 50.9 -66.6 -35.6 37.3 -0.6 -19.9 204 217 A A H 3< S+ 0 0 85 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.690 111.4 50.6 -76.2 -14.1 40.4 -2.3 -21.4 205 218 A R H X< S+ 0 0 47 -4,-1.0 3,-2.4 -3,-0.5 -2,-0.2 0.687 77.8 112.2-103.8 -16.4 38.1 -5.0 -22.8 206 219 A V T 3< S+ 0 0 64 -4,-1.4 3,-0.1 1,-0.3 9,-0.1 -0.253 91.6 14.2 -43.3 133.2 35.5 -2.9 -24.5 207 220 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 8,-0.2 -2,-0.1 0.502 104.0 145.7 76.3 3.2 35.9 -3.4 -28.3 208 221 A G < - 0 0 30 -3,-2.4 -1,-0.2 1,-0.1 -3,-0.1 -0.169 52.0-144.7 -80.4 169.5 38.0 -6.4 -27.5 209 222 A D + 0 0 168 -3,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.248 59.2 114.2-116.9 4.5 38.4 -9.7 -29.3 210 223 A G - 0 0 32 -5,-0.2 -2,-0.0 1,-0.1 -52,-0.0 -0.421 60.7-140.1 -74.3 154.6 38.9 -12.2 -26.4 211 224 A D + 0 0 102 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.011 60.7 122.4-108.7 31.8 36.2 -14.8 -25.7 212 225 A D S > S- 0 0 10 -55,-0.1 4,-2.4 -54,-0.1 -55,-0.2 -0.499 77.6-103.1 -80.7 162.9 36.4 -14.5 -21.9 213 226 A L H > S+ 0 0 9 -57,-2.1 4,-2.4 1,-0.2 5,-0.2 0.775 115.0 54.2 -59.2 -36.2 33.4 -13.7 -19.8 214 227 A I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.981 112.1 39.9 -68.9 -54.3 34.3 -10.0 -19.2 215 228 A T H > S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.947 115.9 55.2 -59.7 -42.1 34.8 -8.9 -22.7 216 229 A L H < S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 114.1 38.5 -54.3 -49.4 31.7 -11.0 -23.6 217 230 A M H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 10,-0.2 0.932 114.1 53.2 -68.0 -48.2 29.5 -9.2 -21.1 218 231 A V H 3< S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.825 108.1 51.2 -62.6 -34.8 30.9 -5.7 -21.6 219 232 A N T 3< S+ 0 0 50 -4,-2.4 2,-0.3 -5,-0.3 -1,-0.3 -0.159 89.2 117.7 -90.8 36.3 30.4 -5.8 -25.4 220 233 A S < - 0 0 0 -3,-1.2 7,-3.3 7,-0.1 2,-0.3 -0.786 58.0-130.5-105.8 154.2 26.7 -6.9 -25.1 221 234 A E E -I 226 0D 125 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.795 13.4-168.1-105.9 144.5 23.7 -5.0 -26.2 222 235 A I E > S-I 225 0D 24 3,-3.2 3,-1.2 -2,-0.3 6,-0.0 -0.965 80.1 -20.7-130.2 109.3 20.5 -4.2 -24.2 223 236 A N T 3 S- 0 0 140 -2,-0.4 3,-0.1 1,-0.2 -1,-0.1 0.914 128.6 -46.3 53.6 50.6 17.6 -2.8 -26.4 224 237 A G T 3 S+ 0 0 64 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.207 123.5 91.7 82.2 -15.9 19.9 -1.6 -29.4 225 238 A E E < S-I 222 0D 141 -3,-1.2 -3,-3.2 1,-0.0 -1,-0.2 -0.792 86.2 -99.3-109.1 153.9 22.5 0.1 -27.2 226 239 A R E -I 221 0D 152 -2,-0.3 -5,-0.3 -5,-0.3 3,-0.1 -0.506 58.2 -87.8 -69.4 140.0 25.7 -1.3 -25.7 227 240 A I - 0 0 10 -7,-3.3 -1,-0.1 -10,-0.2 -7,-0.1 -0.165 45.5 -98.6 -56.9 136.3 25.2 -2.3 -22.0 228 241 A A > - 0 0 50 1,-0.1 4,-2.2 -3,-0.1 3,-0.3 -0.210 32.7-117.5 -47.1 137.4 25.7 0.3 -19.3 229 242 A H H > S+ 0 0 49 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.894 114.9 43.6 -41.3 -50.6 29.1 0.0 -17.6 230 243 A D H > S+ 0 0 86 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.794 107.7 56.8 -76.8 -28.2 27.6 -0.8 -14.2 231 244 A K H > S+ 0 0 58 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.894 108.6 50.1 -67.3 -39.2 25.0 -3.3 -15.6 232 245 A A H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.812 108.6 51.7 -63.8 -35.7 28.0 -5.1 -17.1 233 246 A Q H X S+ 0 0 7 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.945 110.4 49.0 -65.3 -48.4 29.6 -5.0 -13.6 234 247 A G H X S+ 0 0 18 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.883 111.2 49.6 -55.6 -42.0 26.5 -6.5 -12.1 235 248 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.909 111.4 47.5 -66.5 -42.4 26.5 -9.2 -14.7 236 249 A I H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.866 111.7 50.3 -68.0 -39.9 30.1 -10.2 -14.2 237 250 A S H >X S+ 0 0 13 -4,-2.2 4,-2.8 2,-0.2 3,-0.5 0.949 108.8 52.2 -64.4 -49.7 29.7 -10.2 -10.4 238 251 A L H 3X S+ 0 0 24 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.920 105.7 56.0 -48.8 -47.1 26.6 -12.5 -10.9 239 252 A L H 3X S+ 0 0 23 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.843 110.3 46.0 -54.0 -37.4 28.8 -14.8 -13.0 240 253 A L H << S+ 0 0 6 -4,-1.4 3,-0.3 -3,-0.5 -2,-0.2 0.961 118.1 39.3 -69.1 -55.4 31.2 -15.0 -10.1 241 254 A L H >X S+ 0 0 31 -4,-2.8 3,-3.1 1,-0.2 4,-0.6 0.976 108.6 59.1 -61.3 -55.8 28.6 -15.6 -7.3 242 255 A G H 3< S+ 0 0 45 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.753 110.6 43.1 -47.1 -33.2 26.3 -18.0 -9.2 243 256 A G T 3< S+ 0 0 28 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.207 110.4 60.2 -99.7 14.0 29.1 -20.5 -9.8 244 257 A L T <> S+ 0 0 15 -3,-3.1 4,-3.0 3,-0.1 3,-0.3 0.808 104.0 29.4-105.6 -80.9 30.5 -20.3 -6.3 245 258 A D H X S+ 0 0 29 -4,-0.6 4,-1.4 1,-0.2 5,-0.3 0.814 120.5 52.3 -56.8 -36.2 28.3 -21.3 -3.4 246 259 A T H > S+ 0 0 43 -5,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.947 116.9 38.9 -64.6 -43.4 26.2 -23.8 -5.4 247 260 A V H > S+ 0 0 13 -3,-0.3 4,-2.7 2,-0.2 5,-0.3 0.875 108.8 58.8 -79.8 -40.8 29.2 -25.6 -6.7 248 261 A V H X S+ 0 0 4 -4,-3.0 4,-1.3 1,-0.2 -1,-0.2 0.952 118.7 32.7 -48.9 -51.3 31.4 -25.5 -3.5 249 262 A N H X S+ 0 0 7 -4,-1.4 4,-2.5 -5,-0.2 -2,-0.2 0.887 114.2 56.0 -82.5 -41.9 28.7 -27.3 -1.6 250 263 A F H X S+ 0 0 10 -4,-2.5 4,-1.7 -5,-0.3 5,-0.2 0.892 106.3 53.7 -56.9 -43.8 27.2 -29.5 -4.4 251 264 A L H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.935 110.2 46.4 -59.6 -47.7 30.7 -31.0 -5.0 252 265 A S H X S+ 0 0 0 -4,-1.3 4,-2.8 -5,-0.3 5,-0.2 0.905 106.7 59.1 -58.3 -45.8 31.1 -32.0 -1.3 253 266 A F H X S+ 0 0 10 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.924 111.8 38.2 -54.5 -45.6 27.6 -33.5 -1.1 254 267 A F H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -1,-0.2 0.873 113.9 54.6 -77.1 -32.5 28.2 -36.1 -3.8 255 268 A M H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.916 108.0 51.0 -62.3 -42.5 31.8 -36.8 -2.8 256 269 A I H X S+ 0 0 9 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.965 112.2 47.6 -53.3 -56.7 30.5 -37.5 0.8 257 270 A H H < S+ 0 0 21 -4,-2.0 4,-0.3 -5,-0.2 -2,-0.2 0.903 113.4 46.6 -51.2 -48.1 28.0 -39.9 -0.8 258 271 A L H >< S+ 0 0 3 -4,-2.8 3,-1.3 1,-0.2 7,-0.3 0.883 107.3 57.5 -67.7 -38.2 30.6 -41.6 -3.0 259 272 A A H 3< S+ 0 0 4 -4,-3.1 118,-0.4 1,-0.3 -1,-0.2 0.863 111.4 43.5 -54.5 -38.3 33.0 -41.9 -0.1 260 273 A R T 3< S+ 0 0 122 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.404 111.8 57.0 -90.6 0.6 30.3 -43.9 1.7 261 274 A H <> + 0 0 76 -3,-1.3 4,-1.6 -4,-0.3 3,-0.5 -0.526 55.6 164.7-130.6 70.1 29.4 -45.9 -1.4 262 275 A P H > S+ 0 0 82 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.767 78.1 57.0 -56.1 -27.7 32.6 -47.7 -2.6 263 276 A E H > S+ 0 0 158 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.897 104.9 48.4 -74.9 -42.0 30.5 -50.1 -4.8 264 277 A L H > S+ 0 0 21 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.807 109.2 56.8 -60.5 -32.4 28.9 -47.2 -6.7 265 278 A V H X S+ 0 0 2 -4,-1.6 4,-2.5 -7,-0.3 -2,-0.2 0.916 104.0 51.2 -65.8 -43.8 32.5 -45.9 -7.1 266 279 A A H X S+ 0 0 27 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.897 107.5 54.9 -58.7 -41.8 33.5 -49.1 -8.8 267 280 A E H X S+ 0 0 70 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.917 112.5 40.4 -57.6 -51.3 30.6 -48.9 -11.2 268 281 A L H < S+ 0 0 1 -4,-1.8 3,-0.5 2,-0.2 7,-0.4 0.911 112.6 55.6 -62.5 -45.5 31.5 -45.4 -12.4 269 282 A R H < S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 114.2 41.4 -59.2 -32.0 35.2 -46.3 -12.5 270 283 A S H < S+ 0 0 90 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.617 115.7 49.7 -91.3 -20.6 34.4 -49.2 -14.8 271 284 A D >X + 0 0 57 -4,-1.1 4,-2.3 -3,-0.5 3,-0.6 -0.609 59.1 176.2-128.5 76.6 31.8 -47.4 -17.0 272 285 A P H 3> S+ 0 0 89 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.793 85.0 49.5 -36.7 -49.4 33.2 -44.0 -18.3 273 286 A L H 3> S+ 0 0 95 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.885 108.5 52.3 -68.6 -38.6 30.1 -43.4 -20.4 274 287 A K H <> S+ 0 0 48 -3,-0.6 4,-0.8 2,-0.2 -1,-0.2 0.899 111.1 48.1 -63.3 -42.1 27.8 -44.1 -17.5 275 288 A L H >< S+ 0 0 8 -4,-2.3 3,-1.4 -7,-0.4 -2,-0.2 0.985 113.8 47.0 -54.0 -56.5 29.7 -41.6 -15.3 276 289 A M H >< S+ 0 0 53 -4,-2.5 3,-0.6 1,-0.3 -2,-0.2 0.855 115.0 45.4 -60.2 -38.7 29.6 -39.1 -18.1 277 290 A R H 3< S+ 0 0 165 -4,-2.9 3,-0.3 1,-0.2 -1,-0.3 0.475 101.3 67.9 -83.9 -6.8 25.8 -39.6 -18.8 278 291 A G T S+ 0 0 3 -3,-0.6 4,-2.1 1,-0.2 3,-0.2 0.883 79.0 57.1 -65.7 -40.6 25.3 -35.9 -14.2 280 293 A E H > S+ 0 0 72 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.865 102.5 54.8 -54.3 -38.4 21.6 -35.3 -14.3 281 294 A E H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.836 106.4 51.5 -69.9 -34.2 21.1 -38.0 -11.6 282 295 A M H X S+ 0 0 0 -4,-1.2 4,-1.7 -3,-0.2 -1,-0.2 0.911 108.8 50.2 -67.2 -45.1 23.6 -36.3 -9.3 283 296 A F H < S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.821 110.6 50.5 -62.6 -33.9 21.8 -33.0 -9.7 284 297 A R H < S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.927 113.8 44.6 -64.8 -43.8 18.5 -34.7 -8.9 285 298 A R H < S+ 0 0 13 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.729 119.9 36.5 -78.7 -27.1 19.9 -36.4 -5.8 286 299 A F < + 0 0 3 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.316 69.0 167.1-127.4 53.2 21.8 -33.4 -4.3 287 300 A P - 0 0 0 0, 0.0 30,-0.1 0, 0.0 57,-0.1 -0.376 8.8-178.5 -65.3 150.4 19.9 -30.1 -4.8 288 301 A V + 0 0 5 55,-0.3 103,-2.7 28,-0.1 2,-0.3 0.602 45.2 89.9-124.0 -18.3 21.2 -27.2 -2.7 289 302 A V B +J 390 0E 17 54,-0.3 27,-2.2 101,-0.2 28,-0.4 -0.605 32.4 169.3 -97.2 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2,-0.4 -0.955 50.9-106.5-172.4 152.4 -5.0 -15.4 -6.8 300 313 A E E +K 305 0F 151 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.768 46.3 164.2 -87.1 142.0 -6.3 -18.8 -5.6 301 314 A Y E > -K 304 0F 15 3,-2.6 3,-2.1 -2,-0.4 -2,-0.1 -0.933 56.4 -7.0-162.2 133.8 -3.7 -21.6 -5.7 302 315 A K T 3 S- 0 0 51 -2,-0.3 -258,-0.3 1,-0.3 3,-0.1 0.773 129.1 -49.5 51.1 32.5 -3.3 -25.1 -4.2 303 316 A G T 3 S+ 0 0 59 1,-0.3 -1,-0.3 -260,-0.1 2,-0.2 0.182 122.2 84.6 100.5 -15.2 -6.5 -24.7 -2.1 304 317 A V E < S-K 301 0F 8 -3,-2.1 -3,-2.6 -295,-0.0 2,-0.6 -0.575 77.3-112.0-117.8 174.0 -5.6 -21.3 -0.6 305 318 A F E -K 300 0F 101 -297,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.941 31.8-159.5-110.0 115.1 -5.9 -17.6 -1.4 306 319 A L E -K 299 0F 0 -7,-3.0 -7,-1.9 -2,-0.6 2,-0.4 -0.714 6.1-144.0 -96.4 147.9 -2.5 -16.0 -1.9 307 320 A K > - 0 0 103 -2,-0.3 3,-2.4 -9,-0.2 -12,-0.2 -0.855 31.0 -95.0-110.3 143.9 -2.1 -12.3 -1.6 308 321 A R T 3 S+ 0 0 130 -2,-0.4 -12,-0.2 1,-0.3 3,-0.1 -0.336 115.7 31.9 -48.7 131.4 0.2 -10.2 -3.7 309 322 A G T 3 S+ 0 0 21 -14,-2.6 -1,-0.3 1,-0.4 -13,-0.1 0.113 84.6 128.2 102.8 -23.1 3.4 -9.9 -1.7 310 323 A D < - 0 0 30 -3,-2.4 -15,-2.1 -15,-0.1 2,-0.4 -0.233 54.2-130.7 -56.8 154.7 3.3 -13.3 0.0 311 324 A M E - E 0 294A 5 -259,-0.2 -257,-3.0 -17,-0.2 2,-0.5 -0.933 14.9-161.9-116.6 139.1 6.4 -15.4 -0.4 312 325 A I E -cE 54 293A 0 -19,-2.3 -19,-2.2 -2,-0.4 2,-0.3 -0.983 14.4-144.2-118.6 115.0 6.7 -19.0 -1.5 313 326 A L E -cE 55 292A 0 -259,-2.8 -257,-2.8 -2,-0.5 -21,-0.2 -0.583 6.6-154.4 -74.4 138.3 9.9 -20.8 -0.6 314 327 A L E - E 0 291A 0 -23,-3.1 2,-1.1 -2,-0.3 -23,-0.5 -0.758 6.7-169.5-117.6 82.8 11.1 -23.3 -3.3 315 328 A P E > - E 0 290A 0 0, 0.0 3,-2.2 0, 0.0 -25,-0.2 -0.617 6.9-161.9 -72.8 102.2 13.2 -26.0 -1.6 316 329 A T T >> S+ 0 0 0 -27,-2.2 3,-1.7 -2,-1.1 4,-1.4 0.731 85.2 72.1 -58.5 -21.8 14.6 -27.7 -4.7 317 330 A A H 3> S+ 0 0 0 -28,-0.4 4,-1.7 1,-0.3 -1,-0.3 0.795 88.8 63.2 -60.9 -29.2 15.5 -30.7 -2.5 318 331 A L H <4 S+ 0 0 1 -3,-2.2 -259,-0.4 2,-0.2 -1,-0.3 0.487 104.9 45.2 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