==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-MAY-09 3HGJ . COMPND 2 MOLECULE: CHROMATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS SCOTODUCTUS; . AUTHOR D.J.OPPERMAN,B.T.SEWELL,D.LITTHAUER,M.N.ISUPOV, . 1392 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51421.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 948 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 181 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 96 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 167 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 373 26.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.3 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 3 4 0 4 4 0 4 4 8 1 0 1 0 2 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 13 6 6 8 2 2 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 . 4 0 4 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 . 8 0 0 0 0 0 0 0 4 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 2 A A > 0 0 57 0, 0.0 3,-1.3 0, 0.0 333,-0.0 0.000 360.0 360.0 360.0 124.8 -4.4 -18.8 47.8 2 3 A L G > + 0 0 54 1,-0.3 3,-2.0 2,-0.2 15,-0.2 0.857 360.0 70.3 -60.4 -35.3 -1.1 -20.5 47.3 3 4 A L G 3 S+ 0 0 0 1,-0.3 14,-2.3 13,-0.1 -1,-0.3 0.791 108.3 35.6 -48.6 -34.0 -2.7 -22.9 44.8 4 5 A F G < S+ 0 0 44 -3,-1.3 -1,-0.3 12,-0.2 -2,-0.2 0.032 90.9 106.7-119.3 28.1 -2.9 -19.9 42.4 5 6 A T S < S- 0 0 44 -3,-2.0 9,-0.1 1,-0.1 -3,-0.0 -0.886 80.3-104.1 -96.3 134.5 0.3 -18.1 43.2 6 7 A P - 0 0 62 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.184 32.6-142.1 -56.3 154.5 2.9 -18.5 40.5 7 8 A L E -A 14 0A 9 7,-1.8 7,-3.2 9,-0.3 2,-0.5 -0.983 2.1-142.6-123.1 129.5 5.8 -20.9 41.1 8 9 A E E +A 13 0A 66 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.768 28.9 160.1 -88.3 125.4 9.4 -20.4 40.1 9 10 A L E > -A 12 0A 8 3,-1.6 3,-2.2 -2,-0.5 2,-0.1 -0.990 66.2 -26.8-143.6 135.0 11.3 -23.5 38.9 10 11 A G T 3 S- 0 0 26 -2,-0.3 208,-0.2 1,-0.3 209,-0.2 -0.401 122.9 -39.4 57.8-128.1 14.5 -23.3 36.8 11 12 A G T 3 S+ 0 0 29 207,-2.8 -1,-0.3 -2,-0.1 2,-0.2 0.200 122.3 84.3-111.8 12.4 14.2 -20.0 34.9 12 13 A L E < -A 9 0A 22 -3,-2.2 -3,-1.6 206,-0.4 2,-0.4 -0.592 66.1-139.1-108.6 171.9 10.5 -20.2 34.2 13 14 A R E -A 8 0A 90 -5,-0.2 -5,-0.2 -2,-0.2 2,-0.2 -0.968 11.0-145.0-131.4 117.5 7.4 -19.3 36.2 14 15 A L E -A 7 0A 2 -7,-3.2 -7,-1.8 -2,-0.4 38,-0.1 -0.583 18.2-130.9 -76.0 147.0 4.3 -21.5 36.3 15 16 A K S S- 0 0 59 -9,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.747 83.6 -5.3 -75.0 -23.1 1.1 -19.5 36.6 16 17 A N S S- 0 0 3 2,-0.2 -9,-0.3 -9,-0.1 -12,-0.2 -0.936 74.4-100.3-156.6-175.9 -0.1 -21.7 39.4 17 18 A R S S+ 0 0 36 -14,-2.3 297,-3.5 -2,-0.3 2,-0.5 0.050 82.2 104.9-103.9 22.3 0.8 -24.8 41.5 18 19 A L E -b 314 0B 0 -15,-0.2 33,-1.5 295,-0.2 34,-1.5 -0.899 45.8-179.8-104.2 129.2 -1.5 -27.2 39.8 19 20 A A E -bc 315 52B 0 295,-3.2 297,-3.0 -2,-0.5 2,-0.6 -0.958 31.3-121.3-125.0 147.2 -0.0 -29.7 37.4 20 21 A M E -bc 316 53B 0 32,-2.7 34,-2.2 -2,-0.4 297,-0.2 -0.765 36.0-132.4 -82.2 117.3 -1.6 -32.5 35.3 21 22 A S - 0 0 6 295,-2.8 2,-0.2 -2,-0.6 35,-0.1 -0.308 32.7 -88.7 -68.3 149.6 0.1 -35.7 36.4 22 23 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 33,-0.2 -0.433 50.8-179.5 -60.9 130.6 1.4 -38.1 33.7 23 24 A M - 0 0 29 31,-0.3 33,-0.4 -2,-0.2 -3,-0.0 -0.844 26.0-129.8-144.2 103.3 -1.3 -40.5 32.5 24 25 A C - 0 0 27 -2,-0.4 46,-0.1 1,-0.1 34,-0.1 -0.223 21.1-177.2 -42.2 125.2 -0.8 -43.2 29.9 25 26 A Q - 0 0 1 44,-0.1 -1,-0.1 1366,-0.0 45,-0.1 0.505 24.5-144.3-107.4 -8.9 -3.6 -43.0 27.3 26 27 A Y + 0 0 35 1,-0.1 44,-0.2 41,-0.1 85,-0.1 0.872 65.8 116.9 40.7 46.1 -2.6 -46.0 25.3 27 28 A S + 0 0 13 42,-0.3 10,-0.3 2,-0.1 11,-0.2 0.247 34.1 110.4-127.5 16.7 -3.7 -44.2 22.2 28 29 A A S S- 0 0 4 41,-2.7 6,-0.2 1,-0.1 2,-0.1 -0.318 74.9 -93.7 -78.7 169.1 -0.7 -43.7 20.0 29 30 A T > - 0 0 47 4,-1.0 3,-3.0 1,-0.1 4,-0.2 -0.410 45.1 -96.7 -69.7 165.2 -0.1 -45.4 16.7 30 31 A L T 3 S+ 0 0 74 1,-0.3 40,-0.1 2,-0.2 -1,-0.1 0.681 128.8 60.3 -55.7 -20.0 1.9 -48.7 16.7 31 32 A E T 3 S- 0 0 47 38,-0.1 -1,-0.3 41,-0.0 41,-0.1 0.292 123.6-106.1 -88.1 4.9 4.9 -46.4 15.8 32 33 A G < + 0 0 2 -3,-3.0 40,-2.1 36,-0.4 -2,-0.2 0.726 67.0 158.6 76.6 24.1 4.4 -44.4 19.0 33 34 A E - 0 0 82 38,-0.2 -4,-1.0 -4,-0.2 -1,-0.2 -0.449 48.0-107.5 -82.8 151.0 2.9 -41.4 17.2 34 35 A V - 0 0 16 44,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.453 44.9-169.0 -64.4 138.4 0.8 -38.6 18.7 35 36 A T > - 0 0 32 -2,-0.1 4,-1.7 46,-0.1 3,-0.4 -0.815 41.8 -87.5-122.3 177.0 -2.8 -39.1 17.4 36 37 A D H > S+ 0 0 97 -2,-0.3 4,-1.6 1,-0.2 5,-0.3 0.809 122.0 67.4 -51.5 -29.3 -6.0 -37.1 17.4 37 38 A W H >> S+ 0 0 41 -10,-0.3 4,-3.1 1,-0.2 3,-0.5 0.967 103.6 40.9 -62.6 -50.9 -6.7 -38.6 20.8 38 39 A H H 3> S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.862 110.3 58.8 -60.1 -38.5 -3.8 -36.8 22.5 39 40 A L H 3< S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.755 116.7 33.8 -69.4 -24.3 -4.5 -33.5 20.6 40 41 A L H S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.874 101.8 64.9 -70.5 -20.3 -5.4 -29.2 25.4 44 45 A T H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.931 106.1 43.3 -56.6 -48.7 -8.8 -29.7 27.1 45 46 A R H <>S+ 0 0 0 -4,-1.0 5,-1.3 -3,-0.3 4,-0.4 0.775 109.4 57.5 -66.5 -31.6 -7.0 -29.8 30.5 46 47 A A H ><5S+ 0 0 2 -4,-1.7 3,-1.4 2,-0.2 -2,-0.2 0.944 110.1 43.3 -61.7 -47.9 -4.9 -26.8 29.4 47 48 A L H 3<5S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.874 104.2 69.0 -60.2 -38.2 -8.1 -24.8 28.8 48 49 A G T 3<5S- 0 0 0 -4,-1.9 280,-0.9 -5,-0.3 -1,-0.3 0.630 120.9-105.9 -55.1 -21.2 -9.2 -26.4 32.1 49 50 A G T < 5 + 0 0 4 -3,-1.4 -3,-0.2 -4,-0.4 -31,-0.2 0.509 62.8 149.9 112.0 6.7 -6.5 -24.2 33.8 50 51 A V < - 0 0 0 -5,-1.3 -1,-0.3 1,-0.1 -31,-0.2 -0.422 41.6-141.8 -65.7 144.6 -3.5 -26.2 35.0 51 52 A G S S+ 0 0 2 -33,-1.5 44,-2.7 1,-0.2 2,-0.4 0.836 86.3 22.1 -70.8 -33.3 -0.2 -24.3 35.0 52 53 A L E -cd 19 95B 0 -34,-1.5 -32,-2.7 42,-0.2 2,-0.5 -0.996 62.4-159.4-136.5 139.3 1.7 -27.3 33.8 53 54 A I E -cd 20 96B 0 42,-2.6 44,-3.2 -2,-0.4 2,-0.8 -0.984 7.7-158.5-112.4 130.4 0.8 -30.5 31.9 54 55 A L E - d 0 97B 0 -34,-2.2 -31,-0.3 -2,-0.5 44,-0.3 -0.912 22.8-134.8-103.0 106.5 3.2 -33.5 32.1 55 56 A V E - d 0 98B 0 42,-2.9 44,-2.0 -2,-0.8 3,-0.2 -0.307 35.6 -86.6 -59.6 142.7 2.5 -35.6 29.1 56 57 A E E - 0 0 0 -33,-0.4 43,-0.4 1,-0.2 -1,-0.1 0.096 66.3 -56.9 -45.5 161.2 2.2 -39.4 29.9 57 58 A A E - 0 0 7 41,-0.1 2,-0.5 43,-0.1 14,-0.5 -0.196 56.5-162.3 -43.5 118.8 5.2 -41.8 30.0 58 59 A T E - d 0 100B 0 41,-2.2 43,-3.0 -3,-0.2 14,-0.3 -0.959 18.9-122.4-118.3 118.7 6.9 -41.6 26.7 59 60 A A E -ed 72 101B 2 12,-2.0 14,-2.4 -2,-0.5 15,-0.4 -0.418 11.3-157.7 -74.0 134.8 9.3 -44.5 25.9 60 61 A V S S+ 0 0 3 41,-2.2 -1,-0.1 12,-0.2 42,-0.1 0.695 84.1 20.2 -87.2 -16.5 12.9 -43.7 25.1 61 62 A E S > S- 0 0 21 40,-0.4 3,-2.4 1,-0.1 4,-0.2 -0.982 87.2-108.5-144.0 156.2 13.3 -47.0 23.3 62 63 A P G > S+ 0 0 54 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.862 120.4 48.8 -51.0 -41.1 10.8 -49.4 21.7 63 64 A L G 3 S+ 0 0 61 1,-0.3 61,-0.2 44,-0.1 44,-0.1 0.507 98.4 72.3 -81.6 -0.6 11.2 -52.1 24.4 64 65 A G G < S+ 0 0 3 -3,-2.4 39,-2.0 38,-0.1 -1,-0.3 0.415 77.6 110.0 -84.7 -0.5 10.8 -49.4 27.0 65 66 A R < - 0 0 39 -3,-1.5 43,-1.6 -4,-0.2 -7,-0.1 -0.492 59.7-154.2 -76.1 144.3 7.1 -49.2 26.1 66 67 A I S S+ 0 0 13 41,-0.3 43,-2.6 1,-0.2 42,-0.3 0.950 84.4 8.0 -64.9 -64.9 4.4 -50.4 28.5 67 68 A S S > S- 0 0 0 41,-0.2 3,-1.3 40,-0.1 -1,-0.2 -0.674 80.9-106.4-117.9 170.9 2.0 -51.1 25.6 68 69 A P T 3 S+ 0 0 26 0, 0.0 -36,-0.4 0, 0.0 42,-0.1 0.549 118.4 54.8 -76.7 -3.1 2.2 -51.1 21.8 69 70 A Y T 3 S+ 0 0 65 -38,-0.1 -41,-2.7 -37,-0.1 -42,-0.3 0.026 78.6 123.6-118.9 30.4 0.3 -47.9 21.8 70 71 A D S < S- 0 0 3 -3,-1.3 -12,-0.1 -44,-0.2 2,-0.1 -0.486 71.1-100.4 -79.4 156.3 2.4 -45.7 24.1 71 72 A L - 0 0 0 -14,-0.5 -12,-2.0 -2,-0.1 2,-0.3 -0.472 44.9-160.4 -63.7 146.2 3.9 -42.4 22.9 72 73 A G B -e 59 0B 1 -40,-2.1 -12,-0.2 -14,-0.3 -38,-0.1 -0.920 27.1-174.7-127.0 161.0 7.5 -42.9 22.0 73 74 A I + 0 0 0 -14,-2.4 86,-0.1 -2,-0.3 -13,-0.1 0.124 58.0 105.2-135.4 20.8 10.4 -40.4 21.6 74 75 A W S S+ 0 0 70 -15,-0.4 2,-0.4 85,-0.0 -14,-0.1 0.586 75.4 58.3 -81.8 -5.1 13.1 -42.8 20.2 75 76 A S S > S- 0 0 36 1,-0.1 3,-2.7 81,-0.0 4,-0.5 -0.952 73.2-135.5-132.1 140.6 12.8 -41.4 16.6 76 77 A E G > S+ 0 0 75 -2,-0.4 3,-0.8 1,-0.3 -1,-0.1 0.718 107.0 70.6 -60.9 -17.6 13.2 -38.0 15.0 77 78 A D G 3 S+ 0 0 79 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.537 86.8 65.5 -79.5 -1.2 10.0 -39.0 13.1 78 79 A H G <> S+ 0 0 9 -3,-2.7 4,-2.4 1,-0.1 5,-0.3 0.738 82.8 84.2 -80.1 -23.4 8.3 -38.5 16.5 79 80 A L H <> S+ 0 0 16 -3,-0.8 4,-2.9 -4,-0.5 5,-0.3 0.820 81.7 52.5 -49.9 -50.0 9.1 -34.8 16.4 80 81 A P H > S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.962 115.2 41.7 -59.7 -46.9 6.3 -33.4 14.2 81 82 A G H > S+ 0 0 11 -4,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.941 116.7 47.0 -62.2 -50.5 3.6 -35.0 16.4 82 83 A L H X S+ 0 0 2 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.879 112.5 52.3 -59.2 -38.4 5.3 -34.1 19.7 83 84 A K H X S+ 0 0 62 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.2 0.941 108.8 48.2 -61.6 -48.9 5.8 -30.6 18.4 84 85 A E H X S+ 0 0 61 -4,-2.6 4,-2.5 -5,-0.3 -2,-0.2 0.907 111.6 52.8 -62.1 -35.8 2.2 -30.2 17.5 85 86 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.973 110.1 44.4 -65.3 -56.6 1.2 -31.5 20.9 86 87 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.872 113.4 54.5 -51.6 -36.2 3.4 -29.1 22.9 87 88 A R H X S+ 0 0 59 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.933 108.5 46.1 -69.6 -42.4 2.1 -26.3 20.7 88 89 A R H X S+ 0 0 47 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.887 111.7 52.0 -72.8 -31.3 -1.5 -27.0 21.3 89 90 A I H <>S+ 0 0 0 -4,-2.3 5,-1.8 2,-0.2 3,-0.3 0.939 112.3 45.0 -62.1 -48.3 -1.0 -27.3 25.0 90 91 A R H ><5S+ 0 0 66 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.936 109.0 57.5 -65.6 -41.4 0.8 -23.9 25.2 91 92 A E H 3<5S+ 0 0 89 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.868 105.3 51.7 -56.8 -30.6 -1.9 -22.4 22.9 92 93 A A T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -3,-0.3 -43,-0.2 0.383 129.1 -91.8 -96.6 9.5 -4.5 -23.4 25.5 93 94 A G T < 5S+ 0 0 36 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.237 86.8 106.6 118.8 -14.3 -2.7 -21.8 28.4 94 95 A A < - 0 0 3 -5,-1.8 -1,-0.3 -51,-0.1 -42,-0.2 -0.649 68.2-113.1-104.8 153.9 -0.4 -24.4 30.0 95 96 A V E -d 52 0B 24 -44,-2.7 -42,-2.6 -2,-0.2 2,-0.6 -0.706 37.6-129.2 -76.8 128.7 3.3 -25.1 30.1 96 97 A P E +d 53 0B 0 0, 0.0 70,-2.6 0, 0.0 71,-0.8 -0.695 36.2 165.7 -86.2 118.7 4.0 -28.3 28.2 97 98 A G E -df 54 167B 0 -44,-3.2 -42,-2.9 -2,-0.6 2,-0.4 -0.829 16.3-155.3-115.7 173.1 6.1 -30.9 30.0 98 99 A I E -df 55 168B 0 69,-1.9 71,-2.7 -44,-0.3 2,-0.5 -0.998 14.0-131.8-149.4 142.7 6.7 -34.6 29.3 99 100 A Q E - f 0 169B 4 -44,-2.0 -41,-2.2 -43,-0.4 2,-0.5 -0.843 19.4-148.3 -93.5 125.4 7.7 -37.7 31.2 100 101 A L E -df 58 170B 0 69,-3.6 71,-2.7 -2,-0.5 2,-0.3 -0.806 28.7-174.0 -94.0 132.6 10.5 -39.8 29.7 101 102 A A E -d 59 0B 8 -43,-3.0 -41,-2.2 -2,-0.5 -40,-0.4 -0.878 34.3-171.4-135.0 153.7 10.1 -43.4 30.5 102 103 A H - 0 0 3 69,-0.4 75,-2.8 -2,-0.3 76,-0.4 -0.891 16.4-154.7-142.2 119.5 11.5 -47.0 30.3 103 104 A A > - 0 0 2 -39,-2.0 3,-1.7 -2,-0.3 4,-0.2 0.494 24.5-176.2 -79.2 2.7 9.2 -49.7 31.4 104 105 A G G > - 0 0 0 1,-0.2 3,-2.2 2,-0.2 20,-0.3 -0.072 68.0 -4.8 39.1-134.2 11.9 -52.2 32.4 105 106 A R G 3 S+ 0 0 5 70,-0.3 26,-0.4 1,-0.3 -1,-0.2 0.662 134.8 60.2 -68.6 -11.2 10.7 -55.7 33.5 106 107 A K G < S+ 0 0 27 -3,-1.7 -1,-0.3 69,-0.3 -2,-0.2 0.316 79.9 126.1 -97.2 8.6 7.1 -54.5 33.2 107 108 A A < + 0 0 1 -3,-2.2 -41,-0.3 17,-0.2 14,-0.2 -0.237 56.0 31.5 -61.8 148.8 7.5 -53.7 29.4 108 109 A G + 0 0 1 -43,-1.6 11,-3.5 -42,-0.3 12,-0.5 0.965 68.1 141.5 72.2 65.7 5.1 -55.2 26.9 109 110 A T B -K 118 0C 17 -43,-2.6 -1,-0.2 9,-0.3 8,-0.2 -0.947 51.9-100.7-127.3 150.4 1.6 -55.7 28.2 110 111 A A - 0 0 16 7,-2.5 5,-0.1 -2,-0.3 -43,-0.0 -0.287 54.2 -76.9 -57.0 157.1 -1.7 -55.2 26.4 111 112 A R > > - 0 0 44 1,-0.1 3,-2.7 2,-0.1 5,-1.3 -0.235 48.6-110.6 -49.8 141.8 -3.8 -52.0 26.9 112 113 A P G > 5S+ 0 0 60 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.749 119.4 48.4 -48.4 -36.2 -5.7 -52.3 30.3 113 114 A W G 3 5S+ 0 0 78 1,-0.2 -2,-0.1 2,-0.1 1277,-0.0 0.436 103.0 62.1 -93.2 -0.6 -9.0 -52.6 28.5 114 115 A E G < 5S- 0 0 98 -3,-2.7 3,-0.4 3,-0.0 -1,-0.2 -0.152 133.0 -88.4-106.1 34.5 -7.7 -55.3 26.2 115 116 A G T < 5 - 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0 0 58 -2,-2.6 -2,-0.2 57,-0.2 -24,-0.0 -0.983 61.9-126.7-127.4 117.6 13.3 -62.0 38.3 130 131 A P - 0 0 51 0, 0.0 7,-0.2 0, 0.0 3,-0.1 -0.272 18.3-122.3 -65.6 151.0 9.9 -61.8 36.6 131 132 A F S S- 0 0 9 5,-0.5 133,-0.4 -26,-0.4 2,-0.3 0.939 82.1 -34.1 -60.4 -44.9 7.6 -59.0 37.8 132 133 A D S > S- 0 0 25 4,-0.2 3,-2.2 131,-0.1 -1,-0.2 -0.933 93.9 -39.2-160.1 179.3 4.9 -61.5 38.7 133 134 A E T 3 S+ 0 0 170 -2,-0.3 -2,-0.0 1,-0.3 0, 0.0 -0.279 127.0 15.8 -43.2 121.1 3.3 -64.9 37.8 134 135 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 -17,-0.1 -3,-0.0 0.532 93.9 122.1 85.8 8.0 3.1 -65.0 34.0 135 136 A Y < - 0 0 56 -3,-2.2 -1,-0.3 1,-0.1 -29,-0.1 -0.737 69.6-103.3 -94.8 152.8 5.6 -62.1 33.1 136 137 A P - 0 0 29 0, 0.0 -5,-0.5 0, 0.0 -4,-0.2 -0.291 40.7-102.0 -69.3 162.1 8.6 -62.8 30.9 137 138 A V - 0 0 88 -7,-0.2 -14,-0.1 -17,-0.1 -12,-0.0 -0.799 42.2-120.4 -87.8 119.7 11.9 -63.1 32.8 138 139 A P - 0 0 2 0, 0.0 -14,-0.3 0, 0.0 -33,-0.1 -0.266 17.3-120.8 -62.3 145.7 13.8 -59.8 32.3 139 140 A E E -l 124 0D 68 -16,-3.9 -14,-2.2 -11,-0.1 2,-0.4 -0.753 32.7-119.0 -79.3 128.6 17.2 -59.9 30.6 140 141 A P E -l 125 0D 58 0, 0.0 -13,-0.1 0, 0.0 5,-0.1 -0.610 27.7-123.1 -77.6 125.2 19.7 -58.4 33.1 141 142 A L - 0 0 6 -16,-2.3 2,-0.2 -2,-0.4 -17,-0.0 -0.377 21.2-153.0 -61.6 139.7 21.4 -55.3 31.6 142 143 A D > - 0 0 73 -2,-0.1 4,-1.8 1,-0.0 3,-0.2 -0.478 41.2 -88.5 -95.8-176.2 25.2 -55.4 31.3 143 144 A E H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.857 128.8 53.8 -65.3 -30.9 27.1 -52.1 31.4 144 145 A A H > S+ 0 0 41 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.885 107.0 50.5 -68.5 -41.2 26.8 -51.8 27.7 145 146 A G H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.835 108.9 52.9 -65.6 -30.9 23.0 -52.1 27.8 146 147 A M H X S+ 0 0 5 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.891 107.4 51.0 -72.1 -37.4 22.9 -49.4 30.5 147 148 A E H X S+ 0 0 94 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.837 109.5 50.8 -66.5 -35.5 24.9 -47.0 28.4 148 149 A R H X S+ 0 0 76 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.926 113.8 43.6 -71.7 -43.2 22.6 -47.5 25.5 149 150 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.929 112.2 53.2 -65.5 -41.8 19.5 -46.8 27.6 150 151 A L H X S+ 0 0 15 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.924 109.2 50.0 -59.3 -39.7 21.2 -43.9 29.3 151 152 A Q H X S+ 0 0 79 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.870 105.3 57.1 -70.4 -30.1 21.9 -42.5 25.8 152 153 A A H X S+ 0 0 22 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.860 106.7 49.0 -66.8 -34.1 18.2 -43.0 24.8 153 154 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.932 111.2 50.9 -65.8 -48.1 17.1 -40.8 27.7 154 155 A V H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.930 115.4 40.2 -53.4 -49.8 19.7 -38.1 26.7 155 156 A E H X S+ 0 0 62 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.877 113.1 55.9 -72.6 -34.8 18.5 -38.1 23.1 156 157 A G H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.910 109.2 47.4 -56.2 -43.0 14.9 -38.3 24.2 157 158 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.926 112.0 48.7 -65.6 -44.3 15.5 -35.2 26.3 158 159 A R H X S+ 0 0 101 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.934 112.5 49.3 -60.0 -45.7 17.2 -33.4 23.4 159 160 A R H X S+ 0 0 25 -4,-3.1 4,-1.5 2,-0.2 -2,-0.2 0.889 108.8 52.8 -60.0 -41.8 14.2 -34.4 21.2 160 161 A A H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 4,-0.3 0.915 109.8 47.8 -62.2 -44.6 11.7 -33.2 23.8 161 162 A L H ><5S+ 0 0 39 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.930 110.2 52.2 -59.1 -47.6 13.3 -29.7 24.0 162 163 A R H 3<5S+ 0 0 108 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.795 105.2 56.7 -60.4 -26.3 13.4 -29.5 20.2 163 164 A A T 3<5S- 0 0 3 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.564 125.5-106.1 -79.8 -7.8 9.7 -30.3 20.2 164 165 A G T < 5 + 0 0 21 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.582 67.3 149.7 92.3 9.8 9.2 -27.3 22.5 165 166 A F < - 0 0 2 -5,-2.4 -1,-0.3 1,-0.1 -68,-0.2 -0.627 28.0-166.6 -73.3 144.3 8.6 -29.0 25.9 166 167 A Q + 0 0 47 -70,-2.6 2,-0.4 -2,-0.3 -69,-0.2 0.439 68.3 48.5-114.1 -13.1 9.8 -26.9 28.8 167 168 A V E -f 97 0B 2 -71,-0.8 -69,-1.9 52,-0.2 2,-0.5 -0.996 65.2-162.6-130.8 128.3 9.8 -29.4 31.7 168 169 A I E -fg 98 221B 0 52,-1.9 54,-3.0 -2,-0.4 2,-0.5 -0.976 3.6-167.1-108.0 127.3 11.4 -32.9 31.5 169 170 A E E -fg 99 222B 0 -71,-2.7 -69,-3.6 -2,-0.5 2,-0.5 -0.967 11.8-147.1-112.2 130.7 10.5 -35.6 34.0 170 171 A L E -fg 100 223B 0 52,-2.1 54,-2.4 -2,-0.5 2,-1.2 -0.828 18.7-133.6 -89.7 122.8 12.5 -38.8 34.3 171 172 A H E + g 0 224B 9 -71,-2.7 7,-0.4 -2,-0.5 -69,-0.4 -0.686 44.9 150.8 -79.0 96.5 10.2 -41.7 35.3 172 173 A M E + g 0 225B 0 52,-1.8 54,-0.7 -2,-1.2 2,-0.2 -0.044 50.1 84.1-112.8 36.3 12.1 -43.5 38.0 173 174 A A > + 0 0 0 52,-0.3 3,-1.4 1,-0.1 6,-0.3 -0.660 61.6 42.5-125.0 174.0 9.0 -44.8 39.8 174 175 A H T 3 S- 0 0 43 86,-0.6 87,-0.1 1,-0.3 -1,-0.1 0.654 115.2 -68.2 65.4 25.4 6.4 -47.6 39.8 175 176 A G T 3 S+ 0 0 0 85,-0.2 -70,-0.3 1,-0.1 -69,-0.3 0.529 95.5 134.7 72.1 7.6 8.7 -50.6 39.2 176 177 A Y S <> S- 0 0 38 -3,-1.4 4,-2.8 -72,-0.1 -73,-0.2 0.021 76.4 -64.7 -69.5-168.8 9.6 -49.6 35.7 177 178 A L H > S+ 0 0 0 -75,-2.8 4,-1.0 1,-0.2 -74,-0.1 0.910 132.5 33.1 -57.9 -60.2 13.3 -49.7 34.7 178 179 A L H > S+ 0 0 2 -7,-0.4 4,-1.2 -76,-0.4 -1,-0.2 0.851 118.3 55.0 -70.6 -33.2 15.1 -47.2 36.9 179 180 A S H >> S+ 0 0 5 -6,-0.3 4,-2.0 -8,-0.3 3,-0.7 0.940 104.4 54.8 -53.7 -49.0 12.7 -47.8 39.8 180 181 A S H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.742 102.7 56.8 -66.8 -21.9 13.6 -51.5 39.7 181 182 A F H 3< S+ 0 0 1 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.853 108.5 46.8 -72.7 -33.7 17.3 -50.6 40.0 182 183 A L H << S+ 0 0 3 -4,-1.2 -2,-0.2 -3,-0.7 -1,-0.1 0.911 99.2 75.6 -71.6 -45.6 16.7 -48.7 43.3 183 184 A S >X - 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