==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-MAR-11 3AWM . COMPND 2 MOLECULE: FATTY ACID ALPHA-HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR T.FUJISHIRO,O.SHOJI,S.NAGANO,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) . 17638.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 70.5 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 . 32 7.9 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 . 17 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 0 2 1 1 0 1 2 0 0 0 0 0 0 0 1 1 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 2 2 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 92 0, 0.0 2,-0.1 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 157.0 14.2 -6.3 26.0 2 10 A P - 0 0 97 0, 0.0 2,-0.5 0, 0.0 29,-0.2 -0.363 360.0-101.7 -75.5 158.1 16.0 -8.5 23.4 3 11 A D - 0 0 80 1,-0.1 3,-0.2 27,-0.1 29,-0.2 -0.696 33.3-173.8 -77.2 126.5 19.7 -8.7 22.8 4 12 A E > + 0 0 47 27,-3.1 4,-2.3 -2,-0.5 5,-0.2 0.137 47.4 115.3-111.5 20.6 20.6 -6.6 19.7 5 13 A T H > S+ 0 0 24 1,-0.2 4,-2.7 26,-0.2 5,-0.2 0.898 78.2 49.9 -54.6 -45.7 24.3 -7.5 19.4 6 14 A L H > S+ 0 0 143 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.900 110.3 49.4 -64.2 -41.5 23.8 -9.2 16.1 7 15 A S H > S+ 0 0 62 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.883 113.1 47.9 -62.7 -40.4 21.8 -6.3 14.6 8 16 A L H >< S+ 0 0 41 -4,-2.3 3,-1.0 1,-0.2 7,-0.2 0.935 110.7 49.4 -65.9 -47.4 24.6 -3.9 15.8 9 17 A L H 3< S+ 0 0 104 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 108.5 55.2 -65.4 -27.0 27.4 -6.0 14.4 10 18 A A H 3< S+ 0 0 70 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.699 128.6 16.1 -75.0 -21.1 25.6 -6.2 11.0 11 19 A D S S+ 0 0 70 -3,-0.5 4,-2.7 373,-0.2 5,-0.3 0.553 89.9 92.7-114.5 -11.1 24.3 3.1 11.2 15 23 A F H X S+ 0 0 12 -4,-2.4 4,-2.2 -7,-0.2 5,-0.2 0.916 92.0 44.1 -52.7 -49.8 22.3 0.9 13.7 16 24 A I H > S+ 0 0 9 -4,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 115.8 44.9 -64.7 -47.1 21.9 3.6 16.3 17 25 A S H > S+ 0 0 30 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.872 112.1 53.5 -70.0 -31.3 20.9 6.4 14.0 18 26 A R H X S+ 0 0 89 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.913 111.8 44.7 -66.5 -41.6 18.5 4.2 12.1 19 27 A Q H X S+ 0 0 45 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.885 111.8 52.5 -68.2 -39.8 16.7 3.2 15.3 20 28 A C H X>S+ 0 0 2 -4,-2.6 5,-1.7 1,-0.2 4,-1.2 0.898 108.2 52.5 -56.8 -43.0 16.7 6.8 16.5 21 29 A Q H <5S+ 0 0 151 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.892 110.3 47.0 -61.2 -43.5 15.1 7.7 13.1 22 30 A R H <5S+ 0 0 165 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.862 118.6 40.6 -66.3 -37.1 12.4 5.1 13.6 23 31 A L H <5S- 0 0 107 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.555 102.3-129.5 -89.5 -10.3 11.7 6.2 17.2 24 32 A G T <5S+ 0 0 73 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.868 71.9 107.2 58.8 40.5 12.0 10.0 16.5 25 33 A A S -A 35 0A 19 3,-2.4 3,-1.9 -2,-0.3 2,-0.2 -0.985 68.8 -44.1-126.2 118.0 24.2 -5.8 24.0 33 41 A L T 3 S- 0 0 125 -2,-0.4 -28,-0.1 1,-0.3 -29,-0.1 -0.420 125.6 -18.3 58.7-127.3 25.2 -9.1 25.6 34 42 A L T 3 S+ 0 0 169 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.572 119.9 93.2 -81.7 -7.4 24.5 -9.0 29.4 35 43 A K E < -A 32 0A 116 -3,-1.9 -3,-2.4 267,-0.0 2,-0.1 -0.795 67.5-141.3-108.2 118.2 24.3 -5.2 29.5 36 44 A K E -A 31 0A 97 -2,-0.6 267,-0.9 -5,-0.2 2,-0.4 -0.468 35.6-161.8 -53.1 137.3 21.3 -2.9 29.2 37 45 A T E -Ab 30 303A 0 -7,-2.7 -7,-3.3 265,-0.1 2,-0.6 -0.995 21.6-146.1-138.7 128.4 22.7 -0.1 27.1 38 46 A N E -Ab 29 304A 0 265,-2.5 267,-2.4 -2,-0.4 2,-0.5 -0.869 21.3-152.9 -90.4 123.7 21.5 3.5 26.5 39 47 A C E -Ab 28 305A 0 -11,-3.3 -11,-1.9 -2,-0.6 2,-0.3 -0.882 14.9-170.1-102.4 127.8 22.3 4.5 23.0 40 48 A L E +Ab 27 306A 0 265,-2.9 267,-2.8 -2,-0.5 2,-0.3 -0.862 10.5 178.2-123.8 148.0 22.8 8.2 22.4 41 49 A K E + b 0 307A 23 -15,-2.1 4,-0.4 -2,-0.3 3,-0.1 -0.994 39.1 36.2-145.5 146.5 23.2 10.4 19.3 42 50 A G S > S- 0 0 1 265,-0.5 4,-2.4 -2,-0.3 5,-0.2 -0.133 87.5 -67.0 102.4 169.7 23.7 14.2 18.6 43 51 A A H > S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.846 126.1 50.4 -68.1 -38.4 25.3 17.2 20.2 44 52 A K H > S+ 0 0 127 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.924 113.4 46.9 -66.4 -43.6 23.2 17.5 23.3 45 53 A A H > S+ 0 0 2 -4,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.894 109.4 54.5 -61.3 -42.4 23.8 13.8 24.1 46 54 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.908 104.6 55.1 -59.4 -39.9 27.6 14.2 23.4 47 55 A E H < S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.906 111.1 43.1 -63.9 -39.0 27.7 17.0 25.9 48 56 A I H >< S+ 0 0 9 -4,-1.7 3,-1.8 1,-0.2 -1,-0.2 0.909 108.8 59.0 -71.3 -36.8 26.2 14.8 28.7 49 57 A F H 3< S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.829 106.4 49.0 -58.5 -34.5 28.4 11.8 27.7 50 58 A Y T 3< S+ 0 0 29 -4,-1.8 2,-1.1 -5,-0.2 -1,-0.3 0.372 80.6 110.4 -89.4 5.1 31.5 14.0 28.3 51 59 A D X> - 0 0 44 -3,-1.8 3,-2.1 1,-0.2 4,-1.6 -0.685 54.3-164.0 -78.8 104.0 30.3 15.1 31.7 52 60 A T T 34 S+ 0 0 74 -2,-1.1 -1,-0.2 1,-0.3 28,-0.1 0.534 84.4 67.3 -75.1 -2.4 32.8 13.2 33.9 53 61 A T T 34 S+ 0 0 86 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.609 115.0 29.4 -82.1 -12.4 30.6 13.8 37.0 54 62 A R T <4 S+ 0 0 58 -3,-2.1 234,-2.5 -6,-0.2 235,-0.5 0.562 120.4 50.6-118.0 -17.6 28.0 11.5 35.3 55 63 A F E < -C 287 0A 6 -4,-1.6 2,-0.3 232,-0.3 232,-0.2 -0.980 53.7-178.9-132.2 139.9 30.2 9.1 33.2 56 64 A E E -C 286 0A 51 230,-2.6 230,-2.4 -2,-0.4 23,-0.1 -0.905 19.0-156.9-129.5 158.9 33.2 7.0 33.8 57 65 A R > + 0 0 27 -2,-0.3 3,-2.5 228,-0.2 4,-0.5 0.614 53.9 119.1-105.5 -18.0 35.3 4.7 31.6 58 66 A E T 3 S+ 0 0 121 1,-0.3 20,-0.1 2,-0.1 -2,-0.1 -0.223 91.2 2.3 -59.4 131.4 36.8 2.4 34.2 59 67 A G T 3 S+ 0 0 61 18,-0.3 -1,-0.3 1,-0.1 18,-0.1 0.412 102.5 106.1 75.0 -3.0 35.7 -1.2 33.5 60 68 A A < + 0 0 12 -3,-2.5 -2,-0.1 224,-0.1 -1,-0.1 0.695 51.9 94.1 -81.8 -19.6 33.8 -0.2 30.4 61 69 A M S S- 0 0 32 -4,-0.5 5,-0.1 1,-0.1 -2,-0.1 -0.623 78.9-124.5 -79.6 119.3 36.3 -1.7 27.8 62 70 A P >> - 0 0 71 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.267 18.3-119.7 -58.7 147.4 35.4 -5.3 26.7 63 71 A V H 3> S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.858 112.9 61.3 -54.7 -36.7 38.2 -7.8 27.2 64 72 A A H 34 S+ 0 0 39 1,-0.2 5,-0.3 2,-0.2 -1,-0.2 0.817 106.0 46.1 -65.4 -30.6 38.2 -8.5 23.5 65 73 A I H X4>S+ 0 0 53 -3,-0.9 5,-2.3 2,-0.2 3,-1.2 0.867 109.4 53.7 -76.0 -40.3 39.2 -4.9 22.8 66 74 A Q H 3<5S+ 0 0 53 -4,-1.8 5,-0.4 1,-0.2 -2,-0.2 0.852 109.7 50.7 -58.1 -35.2 41.9 -5.0 25.5 67 75 A K T 3<5S+ 0 0 85 -4,-2.1 111,-0.3 -5,-0.2 -1,-0.2 0.483 129.5 9.8 -85.6 -2.6 43.3 -8.0 23.8 68 76 A T T < 5S+ 0 0 1 -3,-1.2 -3,-0.2 -5,-0.2 -2,-0.1 0.350 127.3 25.5-133.4 -87.6 43.4 -6.4 20.3 69 77 A L T 5S+ 0 0 37 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.853 130.0 16.7 -58.9 -46.8 42.7 -2.7 19.5 70 78 A L S S- 0 0 4 -3,-0.2 3,-1.8 -4,-0.1 -1,-0.2 -0.194 70.0 -91.6 -83.0 176.1 46.2 2.4 28.8 75 83 A V G > S+ 0 0 13 1,-0.3 3,-1.8 2,-0.2 12,-0.1 0.773 115.3 71.0 -58.2 -30.9 44.7 5.9 29.1 76 84 A Q G 3 S+ 0 0 53 1,-0.3 -1,-0.3 -6,-0.1 275,-0.1 0.772 98.4 50.1 -59.1 -27.0 41.3 4.9 27.7 77 85 A G G < S+ 0 0 22 -3,-1.8 -1,-0.3 -18,-0.1 -18,-0.3 0.350 94.2 97.9 -95.8 5.5 40.5 2.9 30.8 78 86 A L < - 0 0 27 -3,-1.8 2,-0.3 -4,-0.2 -21,-0.1 -0.643 48.1-170.6 -96.8 153.6 41.3 5.7 33.3 79 87 A D >> + 0 0 44 -2,-0.2 4,-1.5 -22,-0.1 3,-0.6 -0.888 46.1 1.2-130.0 165.0 39.1 8.3 35.1 80 88 A G H 3> S- 0 0 32 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 -0.148 119.5 -18.0 65.7-151.5 39.6 11.4 37.3 81 89 A E H 3> S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.831 135.9 59.9 -66.9 -27.8 43.0 12.9 38.2 82 90 A T H <> S+ 0 0 70 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.952 110.2 42.9 -61.4 -46.1 44.7 9.6 37.3 83 91 A H H X S+ 0 0 3 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.940 112.3 52.0 -61.7 -49.3 43.3 10.0 33.7 84 92 A R H X S+ 0 0 63 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.907 109.9 49.5 -61.5 -37.6 44.1 13.7 33.5 85 93 A H H X S+ 0 0 67 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.912 114.3 43.9 -67.1 -42.1 47.7 13.1 34.5 86 94 A R H >X S+ 0 0 27 -4,-1.9 4,-1.0 -5,-0.2 3,-0.5 0.890 111.0 55.3 -68.7 -37.2 48.2 10.3 32.0 87 95 A K H 3X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 3,-0.4 0.880 99.0 61.3 -66.3 -34.5 46.4 12.3 29.3 88 96 A Q H 3X S+ 0 0 95 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.859 96.6 62.0 -57.2 -33.8 48.8 15.3 29.8 89 97 A M H << S+ 0 0 17 -4,-0.9 4,-0.4 -3,-0.5 -1,-0.2 0.912 109.3 39.6 -59.5 -45.1 51.6 12.9 28.7 90 98 A F H >< S+ 0 0 7 -4,-1.0 3,-1.3 -3,-0.4 4,-0.4 0.900 112.8 54.8 -71.3 -41.2 50.0 12.5 25.3 91 99 A M H >< S+ 0 0 13 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.872 98.9 62.1 -63.7 -36.1 49.0 16.1 24.9 92 100 A G T 3< S+ 0 0 47 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.683 96.1 61.9 -63.2 -18.1 52.5 17.3 25.5 93 101 A L T < S+ 0 0 10 -3,-1.3 2,-0.4 -4,-0.4 -1,-0.3 0.674 87.8 78.0 -74.6 -16.5 53.7 15.4 22.4 94 102 A M < + 0 0 24 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.1 -0.117 55.3 145.3-100.7 40.3 51.4 17.5 20.1 95 103 A T > - 0 0 47 -3,-0.4 4,-2.8 -2,-0.4 5,-0.3 -0.321 61.5-113.3 -70.0 153.8 53.2 20.8 19.6 96 104 A P H > S+ 0 0 102 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.903 118.4 50.9 -54.0 -39.4 52.8 22.5 16.2 97 105 A E H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.918 112.1 45.6 -65.4 -43.9 56.5 21.9 15.6 98 106 A R H > S+ 0 0 64 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 112.0 51.1 -69.2 -36.4 56.4 18.2 16.4 99 107 A V H X S+ 0 0 12 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.937 110.7 49.0 -65.0 -44.0 53.2 17.7 14.4 100 108 A R H X S+ 0 0 142 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.913 107.4 56.2 -59.5 -41.8 54.8 19.3 11.4 101 109 A A H X S+ 0 0 24 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.905 109.1 45.7 -56.8 -44.3 57.9 17.1 11.9 102 110 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.915 111.3 51.9 -66.5 -42.4 55.8 14.0 11.7 103 111 A A H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.912 110.5 49.6 -59.9 -40.1 53.9 15.3 8.6 104 112 A Q H X S+ 0 0 111 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.909 110.1 49.6 -66.1 -41.9 57.3 16.0 6.9 105 113 A L H X S+ 0 0 62 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.909 111.2 50.7 -62.9 -41.7 58.6 12.4 7.8 106 114 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.918 107.3 51.4 -65.4 -43.4 55.4 11.0 6.3 107 115 A E H X S+ 0 0 56 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.925 111.1 50.1 -56.2 -44.1 55.7 13.0 3.1 108 116 A A H X S+ 0 0 52 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.900 111.5 47.4 -61.5 -43.1 59.3 11.7 2.7 109 117 A E H X S+ 0 0 29 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.877 111.2 51.0 -68.7 -36.0 58.2 8.0 3.3 110 118 A W H >X S+ 0 0 0 -4,-2.7 4,-1.1 2,-0.2 3,-0.6 0.973 112.2 46.4 -63.0 -49.9 55.3 8.3 0.9 111 119 A R H >< S+ 0 0 95 -4,-2.7 3,-0.6 1,-0.3 -2,-0.2 0.893 111.0 53.4 -60.7 -38.5 57.7 9.7 -1.8 112 120 A R H 3< S+ 0 0 142 -4,-2.4 4,-0.3 1,-0.2 -1,-0.3 0.821 108.9 50.3 -62.0 -31.0 60.2 7.0 -1.0 113 121 A A H S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.880 106.4 51.3 -54.7 -38.0 58.9 3.8 -7.1 116 124 A G H 3> S+ 0 0 22 -3,-0.4 4,-1.4 -4,-0.3 -2,-0.2 0.867 109.5 49.7 -61.8 -38.9 57.9 0.5 -5.6 117 125 A W H < S+ 0 0 67 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.927 108.9 51.1 -59.5 -46.7 55.3 2.2 -10.1 119 127 A R H 3< S+ 0 0 197 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.797 105.2 56.2 -64.1 -30.1 57.1 -1.2 -10.4 120 128 A K H 3< S- 0 0 128 -4,-1.4 2,-1.2 -5,-0.1 -1,-0.2 0.725 90.1-153.1 -72.9 -23.9 54.0 -3.1 -9.2 121 129 A G S << S+ 0 0 28 -4,-0.9 281,-1.9 -3,-0.9 2,-0.4 -0.075 76.0 39.9 77.2 -40.1 51.9 -1.6 -12.0 122 130 A E E S-E 401 0B 91 -2,-1.2 2,-0.3 279,-0.2 279,-0.2 -0.988 71.9-179.7-139.1 132.6 48.7 -2.0 -9.9 123 131 A I E -E 400 0B 4 277,-2.6 277,-2.4 -2,-0.4 2,-0.7 -0.929 34.3-127.5-128.3 156.6 48.4 -1.4 -6.2 124 132 A V E > -E 399 0B 43 -2,-0.3 4,-1.4 275,-0.2 275,-0.2 -0.929 29.7-152.1 -93.5 110.0 45.7 -1.6 -3.5 125 133 A F H >> S+ 0 0 0 273,-2.8 4,-0.7 -2,-0.7 3,-0.6 0.913 90.0 51.7 -57.5 -44.7 46.2 2.0 -2.1 126 134 A Y H >> S+ 0 0 2 271,-2.2 3,-1.3 1,-0.3 4,-0.6 0.924 108.4 51.8 -57.3 -43.6 44.9 1.1 1.4 127 135 A D H 34 S+ 0 0 77 1,-0.3 4,-0.4 270,-0.2 3,-0.3 0.797 107.9 53.1 -64.8 -30.1 47.3 -1.8 1.6 128 136 A E H << S+ 0 0 38 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.552 96.7 66.7 -83.3 -9.6 50.3 0.3 0.6 129 137 A L H S+ 0 0 70 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.942 110.5 46.1 -65.6 -48.7 54.3 0.7 6.0 132 140 A P H > S+ 0 0 6 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.912 115.3 49.2 -61.9 -36.1 55.2 4.4 5.1 133 141 A L H X S+ 0 0 1 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.921 111.5 49.5 -63.1 -44.3 53.0 5.5 8.1 134 142 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.3 0.938 111.5 48.1 -59.9 -48.5 54.8 3.0 10.3 135 143 A R H X S+ 0 0 39 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.916 115.0 45.7 -58.6 -45.0 58.2 4.1 9.2 136 144 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.942 114.8 45.4 -64.6 -47.5 57.4 7.8 9.7 137 145 A V H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 6,-0.2 0.885 111.9 51.3 -70.6 -35.3 55.8 7.4 13.1 138 146 A C H X>S+ 0 0 0 -4,-2.5 5,-2.9 -5,-0.3 4,-0.7 0.951 112.6 46.5 -64.3 -46.3 58.5 5.1 14.5 139 147 A A H ><5S+ 0 0 59 -4,-2.0 3,-1.0 -5,-0.3 -2,-0.2 0.941 115.0 46.7 -57.8 -47.3 61.2 7.6 13.4 140 148 A W H 3<5S+ 0 0 4 -4,-2.6 64,-0.3 1,-0.2 -1,-0.2 0.892 113.7 48.6 -62.3 -40.3 59.2 10.5 14.9 141 149 A A H 3<5S- 0 0 0 -4,-2.6 64,-2.6 -5,-0.2 65,-0.4 0.481 115.4-111.1 -82.0 -4.5 58.6 8.6 18.1 142 150 A G T <<5 + 0 0 16 -3,-1.0 -3,-0.2 -4,-0.7 57,-0.2 0.786 68.7 144.9 77.0 28.2 62.2 7.6 18.6 143 151 A V < - 0 0 7 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.883 49.6-129.8 -99.9 114.0 61.4 3.9 18.0 144 152 A P + 0 0 62 0, 0.0 44,-0.0 0, 0.0 -5,-0.0 -0.342 29.9 179.6 -61.5 140.7 64.3 2.1 16.2 145 153 A L - 0 0 35 -10,-0.0 5,-0.1 -6,-0.0 -6,-0.1 -0.720 20.6-140.5-149.9 93.5 63.0 0.2 13.2 146 154 A P >> - 0 0 59 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.206 24.5-118.9 -53.5 142.9 65.4 -1.7 10.9 147 155 A D G >4 S+ 0 0 106 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.875 113.6 53.2 -52.8 -40.6 64.6 -1.4 7.3 148 156 A D G 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.469 111.0 46.7 -79.0 -0.4 64.0 -5.2 7.0 149 157 A E G <> S+ 0 0 75 -3,-2.0 4,-2.5 2,-0.1 5,-0.2 0.479 86.5 88.3-111.4 -11.9 61.5 -5.2 9.9 150 158 A A H S+ 0 0 32 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.914 112.9 47.4 -63.0 -43.1 57.0 -4.3 6.7 152 160 A N H > S+ 0 0 118 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.915 113.1 47.3 -64.2 -45.5 56.4 -6.9 9.4 153 161 A R H X S+ 0 0 14 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.875 109.4 54.7 -65.9 -36.3 55.8 -4.3 12.1 154 162 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.910 108.1 49.4 -63.8 -39.9 53.4 -2.3 9.8 155 163 A G H X S+ 0 0 30 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.872 111.1 49.6 -65.9 -35.4 51.4 -5.5 9.3 156 164 A E H X S+ 0 0 11 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.936 112.5 46.1 -67.7 -45.6 51.2 -6.1 13.1 157 165 A L H >X S+ 0 0 0 -4,-2.7 4,-0.8 1,-0.2 3,-0.5 0.925 112.0 52.7 -62.4 -42.0 50.1 -2.5 13.8 158 166 A R H >X S+ 0 0 48 -4,-2.5 4,-2.9 1,-0.2 3,-1.0 0.920 104.1 56.9 -57.5 -45.2 47.6 -2.8 11.1 159 167 A A H 3X S+ 0 0 1 -4,-2.0 4,-1.1 1,-0.3 5,-0.5 0.794 95.1 66.1 -60.1 -29.5 46.2 -6.0 12.6 160 168 A L H << S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.874 121.7 14.8 -61.5 -38.8 45.5 -4.3 15.9 161 169 A F H << S+ 0 0 18 -3,-1.0 4,-0.3 -4,-0.8 -2,-0.2 0.649 129.6 47.7-107.3 -20.2 42.8 -2.0 14.3 162 170 A D H < S+ 0 0 1 -4,-2.9 -3,-0.2 -5,-0.2 228,-0.2 0.756 122.6 31.1 -98.3 -24.2 42.0 -3.6 10.9 163 171 A A S >< S+ 0 0 0 -4,-1.1 3,-1.5 -5,-0.4 11,-0.2 0.516 97.3 85.4-109.2 -16.3 41.6 -7.2 12.1 164 172 A A T 3 S+ 0 0 14 -5,-0.5 -2,-0.1 1,-0.3 -3,-0.1 0.913 95.5 42.5 -55.0 -46.5 40.2 -6.6 15.6 165 173 A G T 3 S+ 0 0 43 225,-0.4 2,-0.5 -4,-0.3 -1,-0.3 0.110 88.2 115.5 -91.1 22.7 36.6 -6.2 14.4 166 174 A S < - 0 0 29 -3,-1.5 2,-1.9 2,-0.1 5,-0.4 -0.835 60.6-145.3 -99.0 126.0 36.7 -9.2 12.0 167 175 A A S S+ 0 0 113 -2,-0.5 -2,-0.1 3,-0.1 -1,-0.1 -0.439 76.8 69.3 -84.8 63.0 34.4 -12.2 12.7 168 176 A S S >> S- 0 0 49 -2,-1.9 3,-2.5 -5,-0.2 4,-0.5 -0.903 110.8 -67.9-162.3 175.8 37.0 -14.6 11.3 169 177 A P H 3> S+ 0 0 103 0, 0.0 4,-1.6 0, 0.0 3,-0.2 0.640 118.5 80.9 -54.4 -15.4 40.5 -16.0 12.1 170 178 A R H 3> S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.844 84.7 58.8 -59.3 -33.3 41.7 -12.5 11.4 171 179 A H H <> S+ 0 0 38 -3,-2.5 4,-2.1 -5,-0.4 -1,-0.2 0.883 103.0 51.6 -63.9 -36.8 40.6 -11.7 15.0 172 180 A L H X S+ 0 0 117 -4,-0.5 4,-2.1 -3,-0.2 -1,-0.2 0.866 108.3 51.5 -65.0 -36.5 43.0 -14.4 16.2 173 181 A W H X S+ 0 0 102 -4,-1.6 4,-3.1 2,-0.2 -2,-0.2 0.915 107.1 53.4 -64.2 -43.0 45.7 -12.7 14.1 174 182 A S H X S+ 0 0 0 -4,-2.5 4,-2.3 -11,-0.2 -2,-0.2 0.917 108.7 49.6 -57.3 -43.7 44.8 -9.4 15.8 175 183 A R H X S+ 0 0 76 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.910 112.9 45.7 -64.6 -42.0 45.3 -11.0 19.3 176 184 A L H X S+ 0 0 69 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.933 110.8 53.4 -65.3 -44.4 48.7 -12.5 18.3 177 185 A A H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.886 107.0 53.1 -56.3 -40.3 49.7 -9.1 16.8 178 186 A R H X S+ 0 0 7 -4,-2.3 4,-2.5 -111,-0.3 5,-0.2 0.930 108.9 48.2 -62.6 -44.2 48.8 -7.5 20.1 179 187 A R H X S+ 0 0 151 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.922 116.0 45.1 -59.6 -41.6 51.0 -9.9 22.1 180 188 A R H X S+ 0 0 113 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.915 113.7 46.9 -71.6 -44.2 53.9 -9.3 19.7 181 189 A V H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.891 111.6 51.9 -67.8 -38.1 53.6 -5.5 19.5 182 190 A D H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.913 111.2 47.4 -61.9 -42.1 53.3 -5.2 23.3 183 191 A A H X S+ 0 0 41 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.910 114.2 47.4 -65.8 -42.8 56.5 -7.3 23.7 184 192 A W H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.956 113.4 46.3 -60.2 -51.9 58.3 -5.2 21.1 185 193 A A H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.871 110.3 55.1 -63.1 -35.3 57.2 -1.9 22.6 186 194 A K H X S+ 0 0 75 -4,-2.3 4,-2.9 -5,-0.3 -1,-0.2 0.919 105.6 51.6 -65.1 -40.1 58.2 -3.2 26.0 187 195 A R H X S+ 0 0 134 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.889 109.8 51.3 -61.4 -36.4 61.7 -4.0 24.8 188 196 A I H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.952 111.3 45.5 -63.5 -49.2 61.9 -0.4 23.5 189 197 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.927 113.9 49.9 -60.9 -45.0 60.8 1.1 26.8 190 198 A E H X S+ 0 0 91 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.896 110.7 50.0 -59.9 -40.9 63.3 -1.2 28.7 191 199 A G H X>S+ 0 0 6 -4,-2.3 5,-1.8 2,-0.2 6,-1.5 0.888 109.9 49.8 -66.5 -41.3 66.1 -0.2 26.3 192 200 A I H ><5S+ 0 0 7 -4,-2.5 3,-0.7 4,-0.2 -2,-0.2 0.955 112.6 47.4 -61.7 -47.7 65.4 3.5 26.8 193 201 A R H 3<5S+ 0 0 56 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.833 114.1 47.0 -63.7 -32.2 65.4 3.1 30.6 194 202 A A H 3<5S- 0 0 84 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.605 113.8-117.5 -84.2 -12.7 68.6 1.1 30.5 195 203 A G T <<5S+ 0 0 63 -4,-1.0 -3,-0.2 -3,-0.7 -4,-0.1 0.588 86.3 113.0 85.0 10.4 70.3 3.6 28.2 196 204 A S S - 0 0 37 1,-0.1 3,-2.1 2,-0.1 6,-0.4 -0.283 21.7-111.3 -67.8 152.2 65.6 12.0 21.9 201 209 A S T 3 S+ 0 0 100 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.647 115.9 50.2 -56.2 -23.5 64.1 14.1 24.8 202 210 A G T 3 S+ 0 0 48 4,-0.0 -1,-0.3 5,-0.0 2,-0.2 0.373 91.6 105.1 -93.0 6.8 61.3 15.5 22.5 203 211 A T S <> S- 0 0 18 -3,-2.1 4,-2.5 1,-0.1 5,-0.2 -0.534 75.8-123.0 -92.4 153.8 60.2 12.1 21.2 204 212 A A H > S+ 0 0 1 -64,-0.3 4,-2.6 1,-0.2 5,-0.3 0.884 110.7 51.7 -57.8 -44.0 57.1 10.0 22.2 205 213 A A H > S+ 0 0 0 -64,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.911 112.1 46.7 -67.1 -38.8 59.0 6.9 23.3 206 214 A Y H > S+ 0 0 87 -6,-0.4 4,-2.1 -65,-0.4 -1,-0.2 0.932 112.9 49.4 -61.5 -48.1 61.3 9.1 25.6 207 215 A A H X S+ 0 0 31 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.901 116.8 41.5 -60.3 -40.8 58.3 10.9 27.1 208 216 A I H >< S+ 0 0 0 -4,-2.6 3,-0.6 2,-0.2 11,-0.3 0.910 112.8 52.1 -77.6 -42.3 56.4 7.7 27.7 209 217 A A H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.833 119.9 36.2 -60.7 -31.7 59.4 5.7 29.0 210 218 A W H 3< S+ 0 0 92 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.432 85.5 127.9-106.4 2.0 60.3 8.5 31.5 211 219 A H << - 0 0 22 -4,-0.6 8,-0.8 -3,-0.6 2,-0.4 -0.295 46.2-151.0 -55.1 136.7 56.7 9.6 32.5 212 220 A R B -G 218 0C 114 6,-0.2 6,-0.2 1,-0.1 -2,-0.1 -0.950 10.2-138.3-110.6 135.6 56.1 9.6 36.2 213 221 A D > - 0 0 45 4,-3.0 3,-2.1 -2,-0.4 -1,-0.1 0.023 43.7 -74.6 -77.0-168.9 52.7 9.0 37.5 214 222 A R T 3 S+ 0 0 135 1,-0.3 -1,-0.1 2,-0.1 -132,-0.0 0.602 134.7 51.5 -68.4 -10.0 50.9 10.9 40.4 215 223 A H T 3 S- 0 0 142 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.201 121.0-106.4-106.8 13.7 53.1 9.0 42.9 216 224 A D S < S+ 0 0 106 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.748 78.3 135.9 65.0 27.9 56.4 9.9 41.1 217 225 A D - 0 0 93 1,-0.0 -4,-3.0 3,-0.0 -1,-0.3 -0.869 58.8-115.2-106.6 141.1 56.7 6.3 39.8 218 226 A L B -G 212 0C 54 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.1 -0.335 42.1 -98.5 -59.1 149.4 57.6 5.2 36.3 219 227 A L - 0 0 6 -8,-0.8 -1,-0.1 -11,-0.3 -8,-0.0 -0.396 47.7 -96.4 -61.1 145.1 54.8 3.4 34.5 220 228 A S > - 0 0 64 1,-0.1 4,-2.8 -3,-0.1 3,-0.3 -0.401 39.5-108.8 -59.6 151.2 55.3 -0.3 34.6 221 229 A P H > S+ 0 0 44 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.872 118.7 50.7 -53.8 -40.6 57.1 -1.5 31.4 222 230 A H H > S+ 0 0 57 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 111.5 46.7 -63.5 -42.1 53.9 -3.1 30.1 223 231 A V H > S+ 0 0 26 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.929 112.2 50.5 -67.5 -42.0 51.8 -0.1 30.7 224 232 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.911 110.4 51.5 -58.6 -42.0 54.4 2.2 29.1 225 233 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.940 109.0 49.3 -59.7 -47.4 54.5 -0.3 26.1 226 234 A V H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.915 111.3 49.8 -60.0 -40.8 50.7 -0.1 25.7 227 235 A E H < S+ 0 0 0 -4,-2.5 4,-0.2 2,-0.2 -1,-0.2 0.902 109.3 51.2 -68.3 -35.7 50.8 3.8 25.8 228 236 A L H >X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 3,-1.9 0.927 109.2 50.6 -64.1 -41.6 53.6 3.8 23.2 229 237 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 -1,-0.2 0.837 99.1 66.8 -65.7 -28.0 51.4 1.5 21.0 230 238 A N H 3< S+ 0 0 12 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.555 109.0 38.5 -68.4 -8.5 48.6 4.1 21.6 231 239 A V H <> S+ 0 0 7 -3,-1.9 4,-1.2 -4,-0.2 -2,-0.2 0.743 120.1 43.5 -97.8 -50.1 50.7 6.5 19.5 232 240 A L H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.942 112.3 50.1 -62.9 -51.1 52.1 4.1 16.9 233 241 A R H X S+ 0 0 15 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.929 110.6 44.5 -59.2 -53.9 48.9 2.2 16.1 234 242 A P H 4 S+ 0 0 51 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.817 109.1 58.6 -69.9 -23.0 46.4 5.0 15.5 235 243 A T H >< S+ 0 0 8 -4,-1.2 3,-1.3 1,-0.2 4,-0.2 0.933 107.4 47.2 -65.0 -40.9 49.0 6.9 13.4 236 244 A V H >< S+ 0 0 0 -4,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.871 102.1 66.1 -65.0 -32.3 49.1 3.8 11.1 237 245 A A T >X S+ 0 0 10 -4,-1.9 3,-2.0 1,-0.3 4,-0.6 0.663 76.4 84.2 -66.3 -11.7 45.3 3.8 11.2 238 246 A I H <> + 0 0 3 -3,-1.3 4,-2.7 -4,-0.5 -1,-0.3 0.766 69.2 83.2 -63.1 -20.3 45.4 7.1 9.3 239 247 A A H <> S+ 0 0 0 -3,-2.0 4,-2.1 -4,-0.2 -1,-0.3 0.854 86.3 56.1 -42.8 -39.6 45.7 4.8 6.2 240 248 A V H <> S+ 0 0 0 -3,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.955 108.8 43.2 -62.8 -50.4 41.9 4.6 6.4 241 249 A Y H X S+ 0 0 6 -4,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.860 111.6 54.5 -65.6 -33.8 41.4 8.4 6.2 242 250 A I H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.904 107.7 50.7 -66.8 -37.5 44.0 8.7 3.4 243 251 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.895 109.2 50.8 -64.8 -39.8 42.0 6.1 1.5 244 252 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.844 105.4 56.9 -67.4 -31.1 38.8 8.1 2.0 245 253 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.940 109.9 44.6 -60.9 -46.7 40.6 11.2 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