==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-JAN-12 3VOO . COMPND 2 MOLECULE: FATTY ACID ALPHA-HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR T.FUJISHIRO,O.SHOJI,H.SUGIMOTO,Y.SHIRO,Y.WATANABE . 407 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 8.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 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 . 14 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 163 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.5 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 1 3 0 1 0 1 1 2 1 0 1 1 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 1 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 9 A G 0 0 96 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0-142.3 13.8 6.6 -6.7 2 10 A P - 0 0 93 0, 0.0 2,-0.5 0, 0.0 29,-0.2 -0.368 360.0-101.2 -76.3 158.1 15.7 8.8 -4.1 3 11 A D - 0 0 72 1,-0.1 3,-0.2 27,-0.1 29,-0.2 -0.704 34.1-172.6 -78.5 126.1 19.5 9.0 -3.8 4 12 A E > + 0 0 41 27,-2.4 4,-1.7 -2,-0.5 3,-0.3 0.236 47.8 112.6-110.0 13.5 20.5 6.9 -0.9 5 13 A T H > S+ 0 0 23 28,-0.3 4,-2.1 26,-0.3 3,-0.3 0.893 78.5 49.0 -54.8 -48.0 24.2 7.8 -0.6 6 14 A L H > S+ 0 0 137 1,-0.2 4,-0.9 -3,-0.2 -1,-0.2 0.823 109.6 52.3 -66.8 -33.8 24.0 9.6 2.7 7 15 A S H > S+ 0 0 60 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.795 109.3 51.1 -67.3 -33.4 22.0 6.7 4.3 8 16 A L H >< S+ 0 0 38 -4,-1.7 3,-0.7 -3,-0.3 7,-0.2 0.911 108.2 49.6 -70.6 -45.2 24.7 4.3 3.2 9 17 A L H 3< S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.725 108.8 55.2 -67.6 -22.2 27.6 6.3 4.7 10 18 A A H 3< S+ 0 0 65 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.722 128.7 15.2 -80.0 -22.7 25.6 6.5 7.9 11 19 A D S S+ 0 0 67 -3,-0.4 4,-2.3 373,-0.2 5,-0.3 0.592 89.7 94.3-111.7 -13.8 24.2 -2.9 7.8 15 23 A F H X S+ 0 0 21 -4,-2.7 4,-1.4 -7,-0.2 5,-0.1 0.854 91.1 43.7 -49.4 -44.8 22.3 -0.7 5.3 16 24 A I H > S+ 0 0 5 -4,-0.2 4,-2.4 -5,-0.2 -1,-0.2 0.947 114.3 45.5 -72.3 -50.5 21.8 -3.4 2.7 17 25 A S H > S+ 0 0 30 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.811 111.0 55.7 -63.6 -30.3 20.8 -6.3 5.0 18 26 A R H X S+ 0 0 126 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.877 111.0 42.9 -69.3 -40.3 18.4 -4.0 6.9 19 27 A Q H X S+ 0 0 50 -4,-1.4 4,-2.4 -5,-0.3 -2,-0.2 0.861 112.4 54.0 -72.7 -39.1 16.5 -3.1 3.7 20 28 A C H X>S+ 0 0 4 -4,-2.4 5,-1.9 2,-0.2 4,-1.0 0.874 109.6 48.4 -58.1 -40.7 16.6 -6.7 2.6 21 29 A Q H <5S+ 0 0 175 -4,-1.9 3,-0.3 2,-0.2 -2,-0.2 0.899 111.6 49.6 -69.8 -41.7 15.0 -7.7 5.9 22 30 A R H <5S+ 0 0 205 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.897 118.2 39.1 -59.1 -43.4 12.4 -5.0 5.5 23 31 A L H <5S- 0 0 114 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.532 103.9-127.4 -88.9 -8.5 11.6 -6.1 1.9 24 32 A G T <5S+ 0 0 72 -4,-1.0 2,-0.3 -3,-0.3 -3,-0.2 0.861 72.8 106.4 60.1 40.6 11.8 -9.8 2.6 25 33 A A S S-A 35 0A 14 3,-2.3 3,-1.9 -2,-0.3 2,-0.7 -0.966 75.2 -17.3-123.8 142.7 24.5 5.6 -4.9 33 41 A L T 3 S- 0 0 94 -2,-0.4 -28,-0.3 1,-0.3 -27,-0.1 -0.647 130.5 -48.0 53.0-107.3 26.1 8.8 -5.9 34 42 A L T 3 S+ 0 0 141 -2,-0.7 2,-0.4 2,-0.1 -1,-0.3 0.398 115.3 107.0-125.8 1.1 23.8 9.2 -8.9 35 43 A K E < S-A 32 0A 130 -3,-1.9 -3,-2.3 1,-0.1 2,-0.1 -0.639 75.0-115.9 -84.5 132.0 24.0 5.7 -10.3 36 44 A K E -A 31 0A 104 -2,-0.4 267,-0.9 -5,-0.3 2,-0.4 -0.454 40.6-164.3 -54.2 129.4 21.2 3.2 -10.1 37 45 A T E -Ab 30 303A 0 -7,-2.7 -7,-2.8 -2,-0.1 2,-0.5 -0.987 19.2-147.5-130.0 124.6 22.6 0.3 -8.0 38 46 A N E -Ab 29 304A 0 265,-2.4 267,-2.6 -2,-0.4 2,-0.5 -0.800 21.0-153.9 -82.2 127.8 21.4 -3.2 -7.5 39 47 A C E -Ab 28 305A 0 -11,-2.9 -11,-1.9 -2,-0.5 2,-0.3 -0.915 13.3-171.7-106.4 129.3 22.3 -4.3 -4.0 40 48 A L E +Ab 27 306A 0 265,-2.9 267,-3.1 -2,-0.5 2,-0.3 -0.857 10.5 177.3-123.5 156.6 22.8 -8.1 -3.4 41 49 A K E + b 0 307A 26 -15,-1.4 4,-0.3 -2,-0.3 3,-0.1 -0.971 40.6 44.6-155.2 137.4 23.2 -10.2 -0.3 42 50 A G S > S- 0 0 1 265,-0.5 4,-2.7 -2,-0.3 5,-0.1 -0.284 87.2 -72.4 111.6 169.2 23.5 -14.0 0.2 43 51 A A H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.1 0.877 128.0 48.9 -71.5 -41.2 25.2 -17.0 -1.2 44 52 A K H > S+ 0 0 125 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 114.0 47.3 -63.3 -45.5 23.1 -17.1 -4.4 45 53 A A H > S+ 0 0 2 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.907 111.0 51.9 -56.2 -47.3 23.7 -13.4 -5.0 46 54 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.895 106.8 54.2 -58.2 -42.3 27.5 -13.8 -4.4 47 55 A E H < S+ 0 0 98 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.878 111.1 42.5 -66.0 -42.1 27.7 -16.7 -6.9 48 56 A I H >< S+ 0 0 8 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.856 110.3 59.1 -68.2 -33.8 26.1 -14.7 -9.7 49 57 A F H 3< S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.876 106.5 47.9 -61.5 -37.1 28.3 -11.7 -8.7 50 58 A Y T 3< S+ 0 0 27 -4,-2.0 2,-0.9 -5,-0.1 -1,-0.3 0.403 81.1 111.9 -87.3 3.2 31.4 -13.8 -9.2 51 59 A D X> - 0 0 45 -3,-1.2 3,-1.8 -4,-0.2 4,-1.5 -0.675 54.5-161.7 -75.3 106.3 30.2 -15.0 -12.6 52 60 A T T 34 S+ 0 0 75 -2,-0.9 -1,-0.2 1,-0.3 28,-0.1 0.500 86.0 65.9 -72.3 -5.0 32.7 -13.3 -15.0 53 61 A T T 34 S+ 0 0 87 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.589 115.9 29.4 -86.1 -10.9 30.5 -13.8 -18.0 54 62 A R T <4 S+ 0 0 59 -3,-1.8 234,-2.5 1,-0.2 235,-0.5 0.578 118.6 53.6-119.2 -17.0 28.1 -11.4 -16.3 55 63 A F E < -C 287 0A 6 -4,-1.5 2,-0.3 232,-0.3 232,-0.2 -0.987 52.3-177.5-133.5 138.3 30.2 -9.1 -14.2 56 64 A E E -C 286 0A 69 230,-2.6 230,-2.8 -2,-0.4 23,-0.1 -0.913 19.2-158.1-125.7 149.2 33.2 -6.8 -14.9 57 65 A R >> + 0 0 29 -2,-0.3 3,-2.4 228,-0.2 4,-0.5 0.642 53.2 124.3 -98.9 -19.2 35.3 -4.7 -12.6 58 66 A E T 34 S- 0 0 116 1,-0.3 20,-0.1 2,-0.1 -2,-0.1 -0.176 92.3 -12.2 -47.4 118.2 36.7 -2.3 -15.3 59 67 A G T 34 S+ 0 0 66 18,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.454 102.7 115.1 69.5 3.7 35.8 1.3 -14.4 60 68 A A T <4 + 0 0 8 -3,-2.4 -2,-0.1 224,-0.1 -1,-0.1 0.703 49.8 95.2 -76.8 -20.9 33.4 0.2 -11.6 61 69 A M S < S- 0 0 64 -4,-0.5 5,-0.1 223,-0.1 -2,-0.1 -0.643 80.4-121.2 -83.1 117.3 35.6 1.7 -8.8 62 70 A P >> - 0 0 49 0, 0.0 3,-1.7 0, 0.0 4,-1.0 -0.291 25.3-123.0 -49.5 127.9 34.7 5.2 -7.6 63 71 A V H 3> S+ 0 0 79 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.755 105.8 68.6 -52.8 -31.3 37.8 7.4 -8.1 64 72 A A H 34 S+ 0 0 37 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.847 101.6 47.8 -57.6 -35.2 38.0 8.4 -4.4 65 73 A I H X4>S+ 0 0 50 -3,-1.7 5,-2.5 2,-0.2 3,-1.2 0.904 109.2 53.2 -72.0 -42.4 38.9 4.9 -3.5 66 74 A Q H 3<>S+ 0 0 43 -4,-1.0 5,-2.2 1,-0.3 -2,-0.2 0.923 108.0 50.3 -54.5 -49.9 41.6 4.7 -6.3 67 75 A K T 3<5S+ 0 0 73 -4,-2.4 -1,-0.3 3,-0.1 111,-0.2 0.376 131.4 11.6 -78.1 2.7 43.3 7.9 -5.0 68 76 A T T < 5S+ 0 0 2 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.334 130.7 28.0-135.1 -77.2 43.4 6.6 -1.5 69 77 A L T 5S+ 0 0 25 -5,-0.3 -3,-0.2 -4,-0.2 -4,-0.1 0.886 130.5 16.6 -60.0 -46.0 42.7 3.0 -0.7 70 78 A L T S- 0 0 5 -3,-0.2 3,-1.7 152,-0.1 -1,-0.3 -0.227 73.0 -89.9 -82.1 172.3 46.2 -2.3 -9.9 75 83 A V G > S+ 0 0 15 1,-0.3 3,-1.6 2,-0.2 12,-0.1 0.701 116.3 70.7 -51.5 -29.9 44.7 -5.8 -10.1 76 84 A Q G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -6,-0.1 275,-0.1 0.780 98.2 50.3 -62.9 -26.5 41.3 -4.7 -8.7 77 85 A G G < S+ 0 0 34 -3,-1.7 -1,-0.3 -19,-0.1 2,-0.3 0.364 94.6 98.8 -94.2 3.8 40.5 -2.8 -11.9 78 86 A L < - 0 0 31 -3,-1.6 2,-0.3 -4,-0.1 -21,-0.1 -0.673 47.7-170.2-101.0 151.8 41.3 -5.7 -14.3 79 87 A D >> - 0 0 38 -2,-0.3 4,-1.9 -22,-0.1 3,-0.6 -0.805 46.7 -3.4-124.1 167.3 39.1 -8.2 -16.1 80 88 A G H 3> S- 0 0 32 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.044 120.0 -15.9 60.9-147.4 39.5 -11.4 -18.2 81 89 A E H 3> S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.791 135.5 58.9 -65.9 -32.6 42.9 -12.8 -19.1 82 90 A T H <> S+ 0 0 69 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.939 111.0 43.6 -58.9 -46.8 44.7 -9.5 -18.2 83 91 A H H X S+ 0 0 4 -4,-1.9 4,-3.0 1,-0.2 5,-0.3 0.954 112.8 50.2 -63.8 -50.1 43.3 -10.0 -14.7 84 92 A R H X S+ 0 0 70 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.862 110.4 49.6 -58.8 -39.8 44.0 -13.7 -14.4 85 93 A H H X S+ 0 0 70 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.900 114.7 44.6 -70.6 -37.3 47.6 -13.2 -15.5 86 94 A R H X S+ 0 0 25 -4,-1.8 4,-1.0 -5,-0.2 3,-0.3 0.876 111.5 53.4 -68.3 -39.5 48.1 -10.3 -13.0 87 95 A K H X S+ 0 0 4 -4,-3.0 4,-2.7 1,-0.2 3,-0.3 0.850 100.1 62.2 -64.9 -36.4 46.3 -12.3 -10.2 88 96 A Q H X S+ 0 0 99 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.894 96.4 59.5 -55.9 -39.2 48.7 -15.2 -10.7 89 97 A M H X S+ 0 0 18 -4,-0.9 4,-0.5 -3,-0.3 -1,-0.2 0.914 109.9 42.4 -54.9 -44.1 51.5 -12.9 -9.7 90 98 A F H >< S+ 0 0 6 -4,-1.0 3,-1.1 -3,-0.3 4,-0.5 0.923 111.9 53.7 -69.4 -45.3 49.9 -12.4 -6.3 91 99 A M H >< S+ 0 0 12 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.837 99.4 62.3 -59.1 -36.3 48.9 -16.1 -5.9 92 100 A G H 3< S+ 0 0 48 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.732 95.8 62.1 -61.9 -24.4 52.5 -17.3 -6.5 93 101 A L T << S+ 0 0 10 -3,-1.1 2,-0.9 -4,-0.5 -1,-0.2 0.765 89.2 75.1 -66.0 -27.6 53.6 -15.3 -3.4 94 102 A M < + 0 0 24 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 -0.300 55.6 147.2 -96.1 47.5 51.3 -17.4 -1.1 95 103 A T > - 0 0 51 -2,-0.9 4,-2.8 -3,-0.3 5,-0.3 -0.536 61.3-111.8 -73.8 152.7 53.1 -20.8 -0.7 96 104 A P H > S+ 0 0 99 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.874 119.7 48.0 -53.4 -39.0 52.5 -22.4 2.7 97 105 A E H > S+ 0 0 107 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.897 111.6 48.3 -68.2 -40.5 56.2 -21.9 3.6 98 106 A R H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 112.4 49.1 -66.8 -36.0 56.2 -18.2 2.5 99 107 A V H X S+ 0 0 12 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.940 111.0 51.0 -68.1 -41.9 53.0 -17.6 4.5 100 108 A R H X S+ 0 0 142 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.922 106.6 54.0 -57.8 -48.2 54.7 -19.3 7.5 101 109 A A H X S+ 0 0 24 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.875 108.2 49.5 -53.5 -42.2 57.8 -17.1 7.2 102 110 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.887 110.8 50.0 -67.5 -39.6 55.6 -13.9 7.3 103 111 A A H X S+ 0 0 11 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 111.2 49.5 -61.0 -44.0 53.8 -15.2 10.4 104 112 A Q H X S+ 0 0 109 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.910 110.5 49.4 -62.8 -43.2 57.2 -16.0 12.0 105 113 A L H X S+ 0 0 63 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.866 111.0 51.4 -65.3 -34.5 58.5 -12.5 11.2 106 114 A F H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.898 106.5 51.9 -74.1 -37.1 55.4 -11.0 12.6 107 115 A E H X S+ 0 0 54 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.929 109.5 51.3 -59.5 -45.2 55.6 -12.9 15.9 108 116 A A H X S+ 0 0 52 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.922 111.6 46.7 -57.4 -46.4 59.2 -11.7 16.3 109 117 A E H X S+ 0 0 33 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.850 109.8 53.1 -66.3 -37.3 58.1 -8.0 15.7 110 118 A W H >X S+ 0 0 1 -4,-2.4 4,-1.0 2,-0.2 3,-0.6 0.967 111.6 47.0 -58.6 -49.6 55.2 -8.3 18.1 111 119 A R H >< S+ 0 0 55 -4,-2.6 3,-0.5 1,-0.3 -2,-0.2 0.884 109.9 52.6 -63.4 -38.7 57.7 -9.6 20.8 112 120 A R H 3< S+ 0 0 147 -4,-2.5 4,-0.5 1,-0.2 -1,-0.3 0.806 108.9 51.3 -65.1 -28.1 60.1 -6.8 20.0 113 121 A A H S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.946 108.2 51.7 -54.2 -45.2 58.9 -3.8 26.0 116 124 A G H > S+ 0 0 32 -4,-0.5 4,-1.2 1,-0.2 -2,-0.2 0.901 111.2 47.2 -47.8 -48.4 57.9 -0.5 24.3 117 125 A W H X S+ 0 0 8 -4,-1.8 4,-0.7 1,-0.2 286,-0.4 0.802 108.9 55.4 -66.2 -34.1 54.3 -1.1 25.3 118 126 A T H >< S+ 0 0 65 -4,-2.6 3,-1.0 -3,-0.2 -2,-0.2 0.929 106.8 47.8 -65.3 -49.1 55.3 -2.1 28.9 119 127 A R H 3< S+ 0 0 200 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.789 105.2 62.7 -68.0 -21.3 57.2 1.2 29.5 120 128 A K H 3< S- 0 0 130 -4,-1.2 2,-1.8 -5,-0.3 -1,-0.2 0.760 87.7-155.0 -70.1 -25.4 54.1 3.1 28.1 121 129 A G S << S+ 0 0 35 -3,-1.0 281,-2.1 -4,-0.7 2,-0.4 -0.411 73.4 34.8 82.8 -63.2 51.9 1.8 30.9 122 130 A E E S-E 401 0B 96 -2,-1.8 2,-0.3 279,-0.2 279,-0.2 -0.987 72.3-179.0-127.4 132.9 48.7 2.1 28.9 123 131 A I E -E 400 0B 4 277,-2.6 277,-3.1 -2,-0.4 2,-0.8 -0.936 35.0-126.1-129.2 153.3 48.3 1.5 25.1 124 132 A V E > -E 399 0B 43 -2,-0.3 4,-0.9 275,-0.2 275,-0.2 -0.922 30.6-153.1 -90.1 109.4 45.6 1.7 22.4 125 133 A F T >4 S+ 0 0 0 273,-2.4 3,-1.1 -2,-0.8 4,-0.5 0.898 90.3 51.5 -57.3 -48.3 46.2 -1.8 21.1 126 134 A Y G >> S+ 0 0 2 271,-2.1 3,-1.5 272,-0.3 4,-0.6 0.911 107.5 53.2 -51.4 -48.7 44.9 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3,-0.9 2,-0.2 4,-0.6 0.918 113.1 50.4 -63.2 -41.6 50.1 2.7 5.2 158 166 A R H >X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 3,-1.7 0.938 103.1 60.0 -59.2 -48.7 47.5 3.2 8.0 159 167 A A H 3X S+ 0 0 2 -4,-2.2 4,-0.9 1,-0.3 -1,-0.2 0.710 93.6 67.0 -52.3 -25.1 46.4 6.5 6.5 160 168 A L H << S+ 0 0 0 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.809 119.8 16.0 -71.2 -29.9 45.4 4.7 3.3 161 169 A F H << S+ 0 0 9 -3,-1.7 -2,-0.2 -4,-0.6 -1,-0.2 0.612 127.1 50.0-114.3 -18.1 42.6 2.8 4.9 162 170 A D H < S+ 0 0 5 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.619 118.2 37.6-103.2 -14.3 41.9 4.5 8.2 163 171 A A S >< S+ 0 0 0 -4,-0.9 3,-0.6 -5,-0.4 2,-0.5 0.319 101.1 98.9-104.3 3.7 41.6 8.0 6.9 164 172 A A T 3 S+ 0 0 14 1,-0.2 7,-0.1 226,-0.1 -99,-0.1 -0.830 80.6 23.0-104.6 124.1 39.8 6.8 3.7 165 173 A G T 3 S+ 0 0 43 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.652 93.3 146.6 94.6 27.8 36.0 7.0 3.3 166 174 A S < - 0 0 40 -3,-0.6 -1,-0.3 2,-0.1 5,-0.2 -0.766 55.7-144.7-107.5 141.0 35.9 9.8 5.9 167 175 A A S S+ 0 0 118 -2,-0.3 -1,-0.1 -158,-0.1 -158,-0.0 0.451 81.9 74.1 -75.8 -0.5 33.6 12.8 6.3 168 176 A S S > S- 0 0 76 -5,-0.1 3,-1.7 1,-0.0 4,-0.2 -0.473 104.9 -86.4-110.1 175.0 36.5 14.8 7.7 169 177 A P T >> S+ 0 0 102 0, 0.0 3,-0.8 0, 0.0 4,-0.8 0.400 106.7 94.0 -60.7 4.8 39.7 16.6 6.4 170 178 A R H 3> + 0 0 115 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.661 69.1 69.9 -70.7 -19.9 41.3 13.1 6.9 171 179 A H H <> S+ 0 0 34 -3,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.818 94.1 56.4 -67.0 -30.5 40.6 12.4 3.3 172 180 A L H <> S+ 0 0 128 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.893 106.3 47.2 -68.2 -43.5 43.3 14.9 2.4 173 181 A W H X S+ 0 0 112 -4,-0.8 4,-2.6 1,-0.2 -2,-0.2 0.855 109.9 55.8 -64.0 -35.5 46.0 13.1 4.5 174 182 A S H X S+ 0 0 0 -4,-1.6 4,-1.7 -11,-0.3 -2,-0.2 0.890 106.9 48.2 -64.9 -40.4 44.9 9.9 2.8 175 183 A R H X S+ 0 0 93 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.855 114.7 45.3 -68.2 -38.1 45.5 11.2 -0.7 176 184 A L H X S+ 0 0 76 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.844 109.5 55.4 -72.1 -38.6 48.9 12.6 0.2 177 185 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.877 107.1 52.2 -58.3 -39.2 49.8 9.3 2.0 178 186 A R H X S+ 0 0 8 -4,-1.7 4,-2.7 -111,-0.2 -2,-0.2 0.906 109.5 46.9 -65.4 -44.7 48.9 7.6 -1.3 179 187 A R H X S+ 0 0 156 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.913 115.9 46.6 -64.3 -40.2 51.2 9.8 -3.3 180 188 A R H X S+ 0 0 122 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.897 115.6 43.6 -66.3 -44.7 54.0 9.3 -0.7 181 189 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.893 113.9 51.4 -71.0 -39.1 53.6 5.5 -0.5 182 190 A D H X S+ 0 0 15 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.896 112.2 46.0 -62.1 -44.3 53.3 5.2 -4.3 183 191 A A H X S+ 0 0 46 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.867 113.7 49.9 -68.9 -35.6 56.5 7.2 -4.8 184 192 A W H X S+ 0 0 10 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.969 112.3 45.3 -65.2 -52.2 58.3 5.2 -2.1 185 193 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.841 111.2 55.2 -58.9 -35.2 57.2 1.8 -3.6 186 194 A K H X S+ 0 0 75 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.917 105.1 51.2 -66.3 -45.0 58.2 3.1 -7.0 187 195 A R H X S+ 0 0 133 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.872 110.0 52.0 -56.1 -37.7 61.7 3.9 -5.8 188 196 A I H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.971 110.5 46.0 -63.1 -54.1 61.8 0.4 -4.4 189 197 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.915 113.0 51.0 -51.3 -48.7 60.8 -1.1 -7.8 190 198 A E H X S+ 0 0 90 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.849 109.8 49.2 -60.9 -39.6 63.4 1.1 -9.7 191 199 A G H X>S+ 0 0 6 -4,-1.9 6,-1.7 2,-0.2 5,-1.6 0.870 110.3 50.9 -70.1 -37.3 66.2 0.1 -7.3 192 200 A I H ><5S+ 0 0 7 -4,-2.3 3,-0.6 4,-0.2 -2,-0.2 0.956 113.6 44.9 -62.1 -47.4 65.4 -3.6 -7.8 193 201 A R H 3<5S+ 0 0 57 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.829 115.2 47.6 -66.5 -33.5 65.4 -3.2 -11.6 194 202 A A H 3<5S- 0 0 84 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.600 114.2-115.7 -83.6 -12.0 68.6 -1.1 -11.5 195 203 A G T <<5S+ 0 0 64 -4,-1.1 -3,-0.2 -3,-0.6 -4,-0.1 0.474 87.3 110.6 94.1 2.4 70.4 -3.6 -9.2 196 204 A S S - 0 0 38 1,-0.1 3,-2.2 2,-0.1 6,-0.3 -0.307 22.9-113.5 -67.4 150.3 65.6 -12.0 -2.8 201 209 A S T 3 S+ 0 0 96 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.580 115.1 53.5 -60.9 -14.8 64.1 -14.0 -5.7 202 210 A G T 3 S+ 0 0 44 4,-0.0 -1,-0.3 5,-0.0 2,-0.2 0.448 88.4 105.0 -95.7 -2.2 61.3 -15.3 -3.5 203 211 A T S <> S- 0 0 18 -3,-2.2 4,-2.5 1,-0.1 3,-0.3 -0.520 75.1-125.1 -86.9 146.7 60.1 -11.9 -2.2 204 212 A A H > S+ 0 0 1 -64,-0.3 4,-2.9 1,-0.2 5,-0.2 0.891 110.2 53.1 -50.1 -47.2 57.0 -10.0 -3.2 205 213 A A H > S+ 0 0 0 -64,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.889 111.5 47.1 -64.3 -37.1 58.8 -6.9 -4.3 206 214 A Y H > S+ 0 0 82 -65,-0.3 4,-1.8 -6,-0.3 -1,-0.2 0.930 112.2 48.6 -63.6 -51.0 61.1 -8.9 -6.5 207 215 A A H X S+ 0 0 31 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.914 115.5 45.6 -57.5 -41.4 58.3 -10.9 -8.1 208 216 A I H >< S+ 0 0 0 -4,-2.9 3,-0.6 -5,-0.2 11,-0.3 0.913 111.5 51.2 -72.8 -38.5 56.4 -7.6 -8.7 209 217 A A H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.797 119.8 35.4 -66.6 -29.6 59.5 -5.8 -10.1 210 218 A W H 3< S+ 0 0 93 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.313 84.4 129.6-110.2 1.9 60.2 -8.5 -12.6 211 219 A H << - 0 0 21 -4,-0.7 8,-0.8 -3,-0.6 2,-0.4 -0.386 45.6-151.5 -55.3 133.9 56.7 -9.6 -13.4 212 220 A R B -G 218 0C 113 6,-0.2 6,-0.2 -2,-0.0 -2,-0.1 -0.929 8.7-139.6-108.2 137.3 56.2 -9.7 -17.2 213 221 A D > - 0 0 45 4,-2.5 3,-2.3 -2,-0.4 -131,-0.0 -0.146 43.9 -75.9 -81.3-172.0 52.7 -9.0 -18.6 214 222 A R T 3 S+ 0 0 136 1,-0.3 -1,-0.1 2,-0.1 -132,-0.0 0.545 134.7 52.2 -66.3 -9.1 51.0 -11.0 -21.5 215 223 A H T 3 S- 0 0 138 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.200 120.7-107.5-108.0 11.3 53.2 -9.0 -24.0 216 224 A D S < S+ 0 0 107 -3,-2.3 2,-0.4 1,-0.2 -2,-0.1 0.752 77.1 135.5 66.7 27.4 56.4 -9.9 -22.1 217 225 A D - 0 0 91 1,-0.0 -4,-2.5 -4,-0.0 -1,-0.2 -0.878 58.9-115.3-105.8 140.0 56.8 -6.3 -20.8 218 226 A L B -G 212 0C 55 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.1 -0.287 42.9 -97.9 -54.0 146.7 57.6 -5.2 -17.3 219 227 A L - 0 0 8 -8,-0.8 -1,-0.1 -11,-0.3 -8,-0.0 -0.451 49.0 -94.8 -58.6 144.2 54.9 -3.3 -15.5 220 228 A S > - 0 0 65 1,-0.1 4,-2.7 -2,-0.1 3,-0.5 -0.409 41.9-108.0 -56.3 144.5 55.4 0.4 -15.7 221 229 A P H > S+ 0 0 44 0, 0.0 4,-2.1 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