==== 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 30-MAY-12 3VTJ . 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) . 17821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 69.8 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 . 51 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 39.3 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 1 1 1 3 0 1 0 1 2 1 1 0 1 1 0 0 0 0 0 1 0 0 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 0 101 0, 0.0 29,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 165.4 13.9 -6.0 25.6 2 10 A P - 0 0 87 0, 0.0 2,-0.6 0, 0.0 29,-0.1 -0.014 360.0 -88.9 -72.9-179.1 15.9 -8.6 23.5 3 11 A D - 0 0 75 1,-0.1 3,-0.3 27,-0.1 29,-0.2 -0.884 35.3-174.0 -96.5 120.5 19.6 -8.8 22.9 4 12 A E > + 0 0 43 27,-2.5 4,-2.4 -2,-0.6 5,-0.2 0.170 47.9 115.8-100.9 16.1 20.6 -6.7 19.8 5 13 A T H > S+ 0 0 24 26,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.872 77.5 49.1 -55.6 -42.4 24.2 -7.7 19.6 6 14 A L H > S+ 0 0 148 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.892 111.2 50.0 -64.1 -41.0 23.8 -9.5 16.2 7 15 A S H > S+ 0 0 52 2,-0.2 4,-0.6 1,-0.2 -2,-0.2 0.878 110.8 49.6 -66.2 -41.1 22.0 -6.5 14.7 8 16 A L H >< S+ 0 0 41 -4,-2.4 3,-1.6 1,-0.2 7,-0.2 0.961 110.2 49.0 -59.9 -53.8 24.7 -4.1 15.9 9 17 A L H 3< S+ 0 0 111 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.749 108.5 54.8 -62.4 -25.6 27.6 -6.2 14.5 10 18 A A H 3< S+ 0 0 68 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.642 129.4 16.6 -79.7 -16.0 25.8 -6.5 11.1 11 19 A D S S+ 0 0 63 -3,-0.5 4,-1.9 373,-0.2 5,-0.2 0.526 90.1 93.2-111.2 -8.4 24.5 2.9 11.3 15 23 A F H X S+ 0 0 17 -4,-2.3 4,-1.7 -7,-0.2 5,-0.2 0.913 89.0 45.3 -54.1 -50.4 22.6 0.7 13.7 16 24 A I H > S+ 0 0 5 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.942 113.6 45.8 -64.5 -50.8 22.0 3.4 16.4 17 25 A S H > S+ 0 0 26 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.781 110.4 55.5 -66.9 -28.2 21.0 6.3 14.1 18 26 A R H X S+ 0 0 126 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.893 109.8 45.0 -70.2 -40.7 18.6 4.1 12.2 19 27 A Q H X S+ 0 0 50 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.834 112.6 52.5 -69.6 -33.8 16.8 3.1 15.3 20 28 A C H X>S+ 0 0 3 -4,-2.1 5,-2.0 2,-0.2 4,-0.8 0.869 110.6 46.9 -65.9 -40.2 16.8 6.7 16.5 21 29 A Q H <5S+ 0 0 175 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.858 112.8 50.6 -68.6 -36.9 15.2 7.8 13.1 22 30 A R H <5S+ 0 0 201 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.822 117.9 38.2 -69.9 -32.6 12.7 5.0 13.5 23 31 A L H <5S- 0 0 102 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.482 104.0-127.0 -96.5 -5.6 11.8 6.1 17.1 24 32 A G T <5S+ 0 0 73 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.863 74.9 100.1 58.0 39.2 12.0 9.8 16.4 25 33 A A S S-A 35 0A 13 3,-2.1 3,-1.4 -2,-0.3 2,-0.1 -0.998 72.9 -26.2-127.8 127.7 24.4 -5.9 24.0 33 41 A L T 3 S- 0 0 105 -2,-0.4 -28,-0.1 1,-0.2 -29,-0.1 -0.430 126.4 -32.1 61.5-144.9 25.8 -9.0 25.8 34 42 A L T 3 S+ 0 0 170 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.2 0.555 119.0 108.2 -71.8 -5.6 24.3 -9.3 29.3 35 43 A K E < -A 32 0A 113 -3,-1.4 -3,-2.1 267,-0.0 2,-0.1 -0.673 66.2-141.5 -99.2 118.7 24.2 -5.5 29.4 36 44 A K E -A 31 0A 102 -2,-0.5 267,-0.8 -5,-0.2 2,-0.4 -0.466 35.0-164.1 -49.7 136.2 21.3 -3.1 29.3 37 45 A T E -Ab 30 303A 0 -7,-3.4 -7,-2.3 -2,-0.1 2,-0.6 -0.978 23.0-148.8-141.7 123.6 22.7 -0.2 27.2 38 46 A N E -Ab 29 304A 0 265,-2.4 267,-2.6 -2,-0.4 2,-0.5 -0.831 20.6-157.8 -84.5 121.4 21.6 3.4 26.6 39 47 A C E -Ab 28 305A 0 -11,-2.6 -11,-1.7 -2,-0.6 2,-0.3 -0.884 12.3-168.7-100.3 130.9 22.5 4.4 23.1 40 48 A L E -Ab 27 306A 0 265,-3.1 267,-3.0 -2,-0.5 2,-0.3 -0.871 9.9-174.6-124.0 156.9 22.9 8.1 22.4 41 49 A K E + b 0 307A 25 -15,-1.5 4,-0.4 -2,-0.3 3,-0.1 -0.996 39.9 29.6-149.7 137.4 23.2 10.4 19.4 42 50 A G S > S- 0 0 1 265,-0.5 4,-2.5 -2,-0.3 5,-0.2 -0.204 88.2 -63.4 105.8 169.9 23.8 14.1 18.8 43 51 A A H > S+ 0 0 24 2,-0.2 4,-1.9 1,-0.2 -1,-0.1 0.898 128.0 49.7 -61.0 -46.1 25.4 17.2 20.3 44 52 A K H > S+ 0 0 127 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.951 112.8 46.6 -59.7 -51.2 23.2 17.3 23.4 45 53 A A H > S+ 0 0 1 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.891 110.4 54.9 -55.9 -41.3 23.8 13.6 24.2 46 54 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.860 103.3 56.3 -60.7 -37.1 27.5 14.1 23.6 47 55 A E H < S+ 0 0 100 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.891 110.8 41.3 -67.0 -40.5 27.6 16.9 26.1 48 56 A I H >< S+ 0 0 7 -4,-1.5 3,-2.0 1,-0.2 6,-0.2 0.918 109.8 59.4 -71.0 -40.0 26.2 14.7 28.9 49 57 A F H 3< S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.839 107.4 47.2 -55.4 -36.7 28.4 11.7 27.9 50 58 A Y T 3< S+ 0 0 28 -4,-1.6 2,-0.9 -5,-0.2 -1,-0.3 0.392 82.4 108.6 -89.6 3.4 31.5 13.9 28.5 51 59 A D X> - 0 0 40 -3,-2.0 3,-1.7 1,-0.1 4,-1.0 -0.722 55.6-163.3 -78.7 107.6 30.3 15.2 31.8 52 60 A T T 34 S+ 0 0 66 -2,-0.9 -1,-0.1 1,-0.3 28,-0.1 0.476 83.2 68.1 -81.7 -0.6 32.7 13.3 34.2 53 61 A T T 34 S+ 0 0 88 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.613 115.5 30.3 -82.3 -12.4 30.6 13.9 37.3 54 62 A R T <4 S+ 0 0 66 -3,-1.7 234,-2.0 -6,-0.2 235,-0.5 0.499 120.8 47.9-121.0 -11.7 28.1 11.6 35.6 55 63 A F E < +C 287 0A 4 -4,-1.0 2,-0.3 232,-0.2 232,-0.2 -0.996 52.9 180.0-137.7 140.9 30.3 9.2 33.5 56 64 A E E -C 286 0A 59 230,-2.5 230,-2.9 -2,-0.4 23,-0.1 -0.933 21.3-151.2-135.6 162.9 33.4 7.1 34.0 57 65 A R >> + 0 0 28 -2,-0.3 3,-2.2 21,-0.2 4,-0.6 0.605 54.7 120.8-107.9 -18.7 35.4 4.7 31.8 58 66 A E T 34 S- 0 0 120 1,-0.3 20,-0.1 2,-0.1 -2,-0.1 -0.286 93.8 -4.9 -58.2 122.3 36.8 2.3 34.3 59 67 A G T 34 S+ 0 0 62 18,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.346 105.1 110.2 78.5 -5.3 35.7 -1.2 33.5 60 68 A A T <4 + 0 0 7 -3,-2.2 -2,-0.1 224,-0.1 225,-0.1 0.861 51.5 87.3 -70.9 -39.1 33.5 0.0 30.6 61 69 A M S < S- 0 0 57 -4,-0.6 5,-0.1 223,-0.1 -2,-0.1 -0.527 85.7-114.8 -76.2 115.9 35.5 -1.3 27.7 62 70 A P >> - 0 0 51 0, 0.0 4,-1.2 0, 0.0 3,-1.2 -0.151 24.1-124.7 -40.9 132.7 34.7 -4.9 26.6 63 71 A V H 3> S+ 0 0 74 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.807 106.1 68.7 -61.0 -30.4 37.7 -7.1 27.2 64 72 A A H 34 S+ 0 0 41 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.864 103.5 44.7 -54.3 -38.6 37.8 -8.3 23.5 65 73 A I H X4>S+ 0 0 63 -3,-1.2 5,-2.3 3,-0.2 3,-1.1 0.831 109.8 57.4 -75.9 -33.7 38.8 -4.7 22.5 66 74 A Q H 3<>S+ 0 0 46 -4,-1.2 5,-2.2 1,-0.2 -2,-0.2 0.963 104.5 49.2 -56.6 -55.7 41.4 -4.6 25.4 67 75 A K T 3<5S+ 0 0 82 -4,-2.5 -1,-0.2 3,-0.1 111,-0.2 0.119 129.8 16.8 -82.8 23.3 43.3 -7.7 24.2 68 76 A T T < 5S+ 0 0 2 -3,-1.1 -3,-0.2 -5,-0.1 -2,-0.1 0.124 128.7 25.1-143.1 -77.2 43.5 -6.3 20.7 69 77 A L T 5S+ 0 0 17 -4,-0.3 -3,-0.2 -5,-0.3 -4,-0.1 0.905 130.7 19.8 -66.7 -46.1 42.9 -2.6 19.8 70 78 A L T S- 0 0 3 -3,-0.2 3,-2.0 152,-0.1 -1,-0.3 -0.359 73.7 -86.2 -89.7 174.3 46.3 2.6 29.1 75 83 A V G > S+ 0 0 15 1,-0.3 3,-1.8 2,-0.2 12,-0.1 0.757 117.2 69.9 -52.1 -32.0 44.8 6.1 29.3 76 84 A Q G 3 S+ 0 0 52 1,-0.3 -1,-0.3 -6,-0.1 -15,-0.1 0.730 98.1 49.9 -60.5 -28.0 41.4 4.9 28.0 77 85 A G G < S+ 0 0 37 -3,-2.0 -1,-0.3 -19,-0.1 2,-0.2 0.296 94.2 99.6 -94.7 9.0 40.5 3.0 31.1 78 86 A L < - 0 0 31 -3,-1.8 2,-0.3 -4,-0.2 -21,-0.2 -0.645 47.3-170.8-100.9 152.3 41.4 5.8 33.6 79 87 A D >> + 0 0 39 -2,-0.2 4,-2.2 -23,-0.1 3,-0.6 -0.842 46.5 0.0-127.5 170.0 39.2 8.3 35.5 80 88 A G H 3> S- 0 0 34 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.052 120.8 -17.6 61.7-148.6 39.6 11.4 37.6 81 89 A E H 3> S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.832 135.7 60.8 -64.2 -33.1 43.0 12.9 38.5 82 90 A T H <> S+ 0 0 76 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.963 108.9 43.9 -58.6 -49.0 44.7 9.6 37.5 83 91 A H H X S+ 0 0 5 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.968 112.7 50.1 -56.4 -55.9 43.3 10.1 34.0 84 92 A R H X S+ 0 0 62 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.857 110.3 49.8 -57.8 -38.4 44.1 13.8 33.7 85 93 A H H X S+ 0 0 68 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.938 115.5 42.9 -65.8 -46.6 47.7 13.3 34.8 86 94 A R H X S+ 0 0 25 -4,-1.9 4,-1.0 -5,-0.3 3,-0.3 0.875 111.6 54.8 -64.4 -40.5 48.2 10.5 32.3 87 95 A K H >X S+ 0 0 4 -4,-3.1 4,-2.1 1,-0.2 3,-0.6 0.892 100.1 61.4 -62.6 -37.2 46.3 12.4 29.5 88 96 A Q H 3X S+ 0 0 96 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.874 96.3 60.3 -54.1 -41.1 48.8 15.4 30.0 89 97 A M H 3< S+ 0 0 16 -4,-1.0 4,-0.4 -3,-0.3 -1,-0.2 0.882 108.5 44.3 -55.9 -39.6 51.7 13.1 29.0 90 98 A F H X< S+ 0 0 5 -4,-1.0 3,-1.3 -3,-0.6 4,-0.3 0.926 111.4 51.7 -71.3 -41.9 49.9 12.6 25.6 91 99 A M H >< S+ 0 0 12 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.860 98.8 64.7 -66.7 -34.6 49.1 16.2 25.1 92 100 A G T 3< S+ 0 0 48 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.695 95.0 61.7 -61.9 -19.5 52.7 17.4 25.8 93 101 A L T < S+ 0 0 10 -3,-1.3 2,-0.5 -4,-0.4 -1,-0.3 0.724 88.9 76.3 -72.3 -21.2 53.7 15.5 22.6 94 102 A M < + 0 0 24 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.1 -0.215 54.4 145.2-102.9 41.0 51.5 17.7 20.4 95 103 A T > - 0 0 51 -2,-0.5 4,-2.7 -3,-0.4 5,-0.3 -0.397 63.2-111.3 -65.4 152.0 53.2 21.0 20.0 96 104 A P H > S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.886 119.7 52.1 -52.6 -37.3 52.8 22.7 16.5 97 105 A E H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.928 110.8 44.6 -65.4 -47.9 56.5 22.0 15.8 98 106 A R H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 113.2 51.0 -65.0 -41.4 56.3 18.3 16.7 99 107 A V H X S+ 0 0 13 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.907 111.9 48.1 -61.3 -41.7 53.1 17.8 14.7 100 108 A R H X S+ 0 0 131 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.876 106.8 57.1 -66.9 -37.6 54.8 19.5 11.8 101 109 A A H X S+ 0 0 25 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.892 107.7 47.3 -59.1 -41.4 57.9 17.3 12.2 102 110 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.882 110.3 52.2 -69.2 -39.4 55.8 14.1 11.9 103 111 A A H X S+ 0 0 12 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.902 111.1 47.8 -62.9 -41.9 54.0 15.5 8.8 104 112 A Q H X S+ 0 0 123 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.940 112.1 48.9 -62.6 -47.2 57.4 16.2 7.2 105 113 A L H X S+ 0 0 60 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.918 110.4 52.0 -59.2 -43.1 58.7 12.7 8.0 106 114 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.906 106.8 51.9 -62.0 -42.1 55.5 11.2 6.6 107 115 A E H X S+ 0 0 55 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.908 108.6 52.0 -60.4 -41.3 55.9 13.1 3.3 108 116 A A H X S+ 0 0 51 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.935 111.9 46.2 -57.4 -47.6 59.5 11.8 3.0 109 117 A E H X S+ 0 0 25 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.868 111.7 50.7 -65.9 -41.2 58.3 8.2 3.6 110 118 A W H >X S+ 0 0 0 -4,-2.7 3,-1.3 2,-0.2 4,-1.1 0.987 112.9 45.9 -55.2 -58.3 55.4 8.6 1.1 111 119 A R H 3< S+ 0 0 100 -4,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.849 111.6 52.8 -55.2 -37.8 57.8 9.9 -1.5 112 120 A R H 3< S+ 0 0 152 -4,-2.4 4,-0.4 1,-0.2 -1,-0.3 0.724 108.4 51.1 -71.5 -22.5 60.3 7.2 -0.8 113 121 A A H S+ 0 0 61 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.933 106.9 53.0 -49.0 -45.8 59.1 4.1 -6.8 116 124 A G H 4 S+ 0 0 23 -4,-0.4 4,-0.5 1,-0.2 -2,-0.2 0.876 110.2 48.0 -51.8 -41.3 58.1 0.8 -5.2 117 125 A W H >X S+ 0 0 7 -4,-1.4 4,-0.9 -3,-0.4 3,-0.5 0.882 110.4 50.6 -68.6 -41.3 54.5 1.5 -6.3 118 126 A T H >< S+ 0 0 64 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.976 108.1 51.6 -59.3 -56.6 55.6 2.4 -9.9 119 127 A R T 3< S+ 0 0 203 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.637 106.7 58.3 -54.0 -17.3 57.6 -0.8 -10.3 120 128 A K T <4 S- 0 0 126 -3,-0.5 2,-1.7 -4,-0.5 -1,-0.3 0.763 85.8-155.8 -86.3 -27.3 54.5 -2.7 -9.1 121 129 A G S << S+ 0 0 29 -3,-1.5 281,-1.3 -4,-0.9 2,-0.4 -0.553 75.3 39.5 83.2 -72.1 52.1 -1.4 -11.8 122 130 A E E S+E 401 0B 94 -2,-1.7 2,-0.3 279,-0.2 279,-0.2 -0.912 70.8 178.1-111.8 136.2 48.9 -2.0 -9.8 123 131 A I E -E 400 0B 3 277,-2.5 277,-3.0 -2,-0.4 2,-1.0 -0.989 34.7-130.2-132.8 144.5 48.6 -1.3 -6.0 124 132 A V E >> -E 399 0B 41 -2,-0.3 4,-1.2 275,-0.2 3,-0.6 -0.866 29.5-151.4 -86.5 102.6 45.9 -1.5 -3.5 125 133 A F G >4 S+ 0 0 0 273,-2.3 3,-0.5 -2,-1.0 4,-0.4 0.814 89.7 53.1 -47.9 -44.8 46.4 2.0 -2.1 126 134 A Y G >> S+ 0 0 3 271,-2.0 3,-1.6 272,-0.3 4,-0.6 0.934 105.9 52.6 -58.4 -48.5 45.2 1.1 1.4 127 135 A D G <4 S+ 0 0 79 -3,-0.6 4,-0.3 1,-0.3 3,-0.3 0.787 108.0 54.9 -56.5 -27.4 47.5 -1.8 1.8 128 136 A E G << S+ 0 0 38 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.465 93.6 66.2 -93.1 -4.0 50.4 0.5 0.9 129 137 A L T <> S+ 0 0 0 -3,-1.6 4,-2.1 -4,-0.4 5,-0.2 0.786 83.7 71.5 -90.7 -25.7 50.0 3.2 3.4 130 138 A H H X S+ 0 0 5 -4,-0.6 4,-2.5 -3,-0.3 5,-0.1 0.872 95.4 50.7 -63.1 -42.6 50.7 1.3 6.7 131 139 A E H > S+ 0 0 72 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.927 111.4 45.4 -65.6 -48.4 54.5 0.9 6.2 132 140 A P H > S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.927 114.9 49.5 -62.0 -39.1 55.3 4.6 5.4 133 141 A L H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.921 112.2 49.1 -62.1 -39.5 53.1 5.6 8.3 134 142 A T H X S+ 0 0 0 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.921 111.4 48.2 -66.2 -45.0 54.9 3.1 10.5 135 143 A R H X S+ 0 0 38 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.910 114.8 46.6 -60.6 -43.0 58.4 4.3 9.4 136 144 A A H X S+ 0 0 1 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.971 114.2 43.7 -66.0 -56.5 57.4 7.9 10.0 137 145 A V H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 6,-0.2 0.888 112.7 52.4 -62.2 -39.8 55.9 7.6 13.4 138 146 A C H <>S+ 0 0 0 -4,-2.2 5,-3.1 -5,-0.3 4,-0.3 0.945 112.5 44.7 -59.6 -48.1 58.6 5.3 14.7 139 147 A A H ><5S+ 0 0 62 -4,-1.9 3,-1.0 -5,-0.2 -2,-0.2 0.925 116.5 47.7 -63.2 -42.6 61.3 7.7 13.7 140 148 A W H 3<5S+ 0 0 5 -4,-2.9 64,-0.4 1,-0.2 -2,-0.2 0.855 112.1 48.6 -59.6 -40.8 59.2 10.6 15.1 141 149 A A T 3<5S- 0 0 0 -4,-2.8 64,-2.2 62,-0.2 65,-0.3 0.311 117.1-109.4 -89.8 8.4 58.5 8.8 18.4 142 150 A G T < 5S+ 0 0 15 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.735 70.9 144.2 70.8 23.9 62.2 7.8 18.9 143 151 A V < - 0 0 4 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.852 49.3-131.3 -98.3 112.9 61.5 4.1 18.2 144 152 A P - 0 0 66 0, 0.0 -5,-0.0 0, 0.0 44,-0.0 -0.359 28.6-179.6 -63.4 141.9 64.4 2.4 16.4 145 153 A L - 0 0 37 -10,-0.0 5,-0.1 8,-0.0 -6,-0.1 -0.723 19.5-141.1-149.2 94.3 63.1 0.5 13.4 146 154 A P >> - 0 0 59 0, 0.0 3,-1.9 0, 0.0 4,-1.1 -0.188 25.5-117.0 -56.1 145.8 65.5 -1.5 11.1 147 155 A D G >4 S+ 0 0 108 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.860 112.8 52.5 -53.6 -43.4 64.7 -1.3 7.4 148 156 A D G 34 S+ 0 0 134 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.482 111.3 48.1 -78.1 -0.5 64.1 -5.1 7.1 149 157 A E G <> S+ 0 0 71 -3,-1.9 4,-2.4 2,-0.1 3,-0.3 0.606 85.5 87.5-106.1 -19.6 61.6 -5.1 10.0 150 158 A A H S+ 0 0 31 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.879 111.9 47.3 -59.6 -44.5 57.0 -4.1 6.8 152 160 A N H > S+ 0 0 110 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.922 112.4 48.3 -62.8 -48.1 56.4 -6.7 9.5 153 161 A R H X S+ 0 0 16 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.882 109.9 53.7 -61.4 -37.9 55.8 -4.1 12.3 154 162 A A H X S+ 0 0 5 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.931 108.7 49.6 -58.9 -46.3 53.4 -2.3 9.9 155 163 A G H X S+ 0 0 30 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.864 112.2 47.6 -59.8 -39.9 51.5 -5.5 9.5 156 164 A E H X S+ 0 0 9 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.926 113.2 46.3 -70.3 -45.1 51.4 -6.1 13.2 157 165 A L H >< S+ 0 0 0 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.905 113.1 51.3 -64.0 -39.7 50.2 -2.5 14.0 158 166 A R H >X S+ 0 0 54 -4,-2.8 4,-3.1 -5,-0.2 3,-2.0 0.925 103.8 57.6 -60.2 -45.6 47.6 -2.8 11.2 159 167 A A H 3X S+ 0 0 4 -4,-2.1 4,-0.7 1,-0.3 -1,-0.2 0.702 89.4 74.0 -63.5 -22.8 46.3 -6.1 12.5 160 168 A L H << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.785 120.3 10.9 -58.2 -28.5 45.5 -4.4 15.9 161 169 A F H <4 S+ 0 0 10 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.1 0.698 129.7 49.6-120.9 -38.4 42.5 -2.7 14.1 162 170 A D H < S+ 0 0 3 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.765 123.6 34.3 -78.7 -23.6 42.0 -4.2 10.7 163 171 A A S >< S+ 0 0 0 -4,-0.7 2,-1.2 -5,-0.5 3,-0.6 0.495 101.8 85.4 -98.7 -6.9 42.0 -7.8 12.1 164 172 A A T 3 S+ 0 0 16 1,-0.2 -1,-0.1 -5,-0.1 7,-0.1 -0.625 89.6 42.7 -95.3 77.2 40.3 -6.6 15.4 165 173 A G T 3 S+ 0 0 39 -2,-1.2 225,-0.6 1,-0.2 2,-0.3 0.266 98.0 91.2 152.7 33.5 36.7 -6.8 14.3 166 174 A S < - 0 0 46 -3,-0.6 2,-0.2 223,-0.1 -1,-0.2 -0.923 61.7-127.2-144.4 162.1 36.5 -10.1 12.4 167 175 A A + 0 0 79 -2,-0.3 3,-0.1 3,-0.1 -3,-0.0 -0.720 68.5 39.7-108.4 166.8 35.9 -13.8 12.8 168 176 A S S >> S- 0 0 89 -2,-0.2 3,-1.0 1,-0.2 4,-0.9 -0.604 123.8 -24.8 96.3-160.2 38.1 -16.8 11.7 169 177 A P H 3> S+ 0 0 99 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.235 126.0 84.4 -66.7 17.8 42.0 -16.9 12.1 170 178 A R H 3> S+ 0 0 102 2,-0.2 4,-1.3 3,-0.1 -2,-0.1 0.855 88.7 41.2 -89.7 -42.2 41.5 -13.1 11.9 171 179 A H H <> S+ 0 0 51 -3,-1.0 4,-2.0 2,-0.2 5,-0.2 0.860 113.3 55.6 -73.1 -37.4 40.8 -12.5 15.6 172 180 A L H X S+ 0 0 130 -4,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.917 108.7 48.6 -54.4 -44.8 43.5 -15.1 16.6 173 181 A W H X S+ 0 0 100 -4,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.819 108.0 54.3 -68.9 -31.6 45.9 -13.0 14.5 174 182 A S H X S+ 0 0 0 -4,-1.3 4,-2.1 -11,-0.3 -1,-0.2 0.901 108.3 47.6 -70.9 -41.1 44.9 -9.8 16.2 175 183 A R H X S+ 0 0 91 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.866 113.6 48.6 -66.0 -37.5 45.5 -11.1 19.7 176 184 A L H X S+ 0 0 70 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.876 109.1 52.5 -68.3 -39.3 48.9 -12.4 18.6 177 185 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.909 108.6 51.2 -63.4 -41.4 49.8 -9.1 17.0 178 186 A R H X S+ 0 0 8 -4,-2.1 4,-2.7 -111,-0.2 -2,-0.2 0.927 110.7 48.4 -60.2 -45.0 48.8 -7.4 20.3 179 187 A R H X S+ 0 0 160 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.920 115.7 44.1 -62.0 -42.1 51.1 -9.7 22.2 180 188 A R H X S+ 0 0 120 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.939 115.3 46.5 -68.3 -47.8 54.0 -9.1 19.7 181 189 A V H X S+ 0 0 0 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.917 113.3 50.4 -62.4 -43.1 53.5 -5.4 19.5 182 190 A D H X S+ 0 0 16 -4,-2.7 4,-2.2 -5,-0.3 -1,-0.2 0.931 111.5 46.5 -59.1 -49.2 53.3 -5.1 23.4 183 191 A A H X S+ 0 0 44 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.898 114.3 50.4 -62.2 -37.8 56.5 -7.2 23.9 184 192 A W H X S+ 0 0 10 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.943 111.2 44.9 -65.7 -50.6 58.2 -5.1 21.3 185 193 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.872 110.4 57.8 -60.6 -36.3 57.2 -1.7 22.7 186 194 A K H X S+ 0 0 75 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.880 104.6 49.0 -64.1 -40.9 58.2 -3.1 26.2 187 195 A R H X S+ 0 0 136 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.865 109.6 54.1 -65.5 -36.9 61.8 -3.8 25.0 188 196 A I H X S+ 0 0 12 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.958 110.6 45.4 -56.8 -51.8 61.9 -0.3 23.6 189 197 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.925 114.2 48.5 -58.8 -47.2 60.9 1.2 27.0 190 198 A E H X S+ 0 0 91 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.897 110.2 51.4 -62.7 -41.8 63.4 -1.0 28.9 191 199 A G H X>S+ 0 0 9 -4,-2.4 6,-1.6 2,-0.2 5,-1.5 0.838 109.4 50.2 -64.9 -36.6 66.2 -0.1 26.6 192 200 A I H ><5S+ 0 0 6 -4,-2.0 3,-0.8 4,-0.2 -2,-0.2 0.950 112.2 47.5 -64.7 -47.4 65.5 3.6 27.0 193 201 A R H 3<5S+ 0 0 55 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.795 113.1 48.2 -64.6 -32.0 65.5 3.2 30.9 194 202 A A H 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.566 114.3-119.1 -86.7 -11.0 68.7 1.2 30.8 195 203 A G T <<5S+ 0 0 61 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.464 85.0 111.7 91.5 1.2 70.4 3.7 28.5 196 204 A S S - 0 0 39 -2,-0.1 3,-1.9 1,-0.1 6,-0.4 -0.284 23.8-114.9 -66.1 152.0 65.7 12.2 22.0 201 209 A S T 3 S+ 0 0 95 1,-0.3 -1,-0.1 5,-0.1 -2,-0.1 0.652 114.4 55.0 -63.1 -17.3 64.1 14.1 24.9 202 210 A G T 3 S+ 0 0 46 4,-0.1 -1,-0.3 5,-0.0 2,-0.2 0.467 89.3 104.6 -91.9 0.3 61.4 15.5 22.7 203 211 A T S <> S- 0 0 17 -3,-1.9 4,-2.6 1,-0.1 -62,-0.2 -0.513 76.2-124.7 -91.0 149.5 60.2 12.1 21.5 204 212 A A H > S+ 0 0 1 -64,-0.4 4,-3.1 1,-0.2 5,-0.3 0.906 110.2 52.8 -54.3 -47.3 57.1 10.2 22.5 205 213 A A H > S+ 0 0 0 -64,-2.2 4,-3.4 1,-0.2 -1,-0.2 0.918 111.2 47.4 -60.1 -44.2 59.0 7.1 23.6 206 214 A Y H > S+ 0 0 84 -6,-0.4 4,-1.9 -65,-0.3 -1,-0.2 0.946 112.1 49.1 -56.2 -52.9 61.3 9.2 25.8 207 215 A A H X S+ 0 0 32 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.906 117.3 41.7 -58.2 -42.3 58.3 11.0 27.3 208 216 A I H >< S+ 0 0 1 -4,-3.1 3,-0.6 1,-0.2 11,-0.3 0.915 112.3 52.8 -73.8 -42.1 56.5 7.7 28.0 209 217 A A H 3< S+ 0 0 0 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.826 119.7 36.3 -59.6 -31.1 59.6 5.8 29.2 210 218 A W H 3< S+ 0 0 92 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.420 85.7 128.9-108.2 -2.1 60.3 8.6 31.7 211 219 A H << - 0 0 22 -4,-0.7 8,-0.8 -3,-0.6 2,-0.4 -0.232 44.4-151.5 -55.6 138.0 56.8 9.6 32.8 212 220 A R B -G 218 0C 110 6,-0.2 6,-0.2 2,-0.0 2,-0.1 -0.926 9.0-139.7-112.1 140.3 56.2 9.7 36.5 213 221 A D > - 0 0 46 4,-2.5 3,-2.7 -2,-0.4 4,-0.1 -0.251 44.8 -76.0 -89.5-174.8 52.7 9.1 37.9 214 222 A R T 3 S+ 0 0 137 1,-0.3 -1,-0.1 2,-0.1 -132,-0.0 0.559 134.2 52.8 -64.0 -2.8 51.0 11.0 40.7 215 223 A H T 3 S- 0 0 140 2,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.216 119.5-107.6-111.8 11.8 53.2 9.1 43.1 216 224 A D S < S+ 0 0 104 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.658 78.0 133.3 66.9 21.3 56.5 10.0 41.4 217 225 A D - 0 0 92 -4,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.777 59.5-114.1-101.6 144.0 56.8 6.4 40.1 218 226 A L B -G 212 0C 55 -2,-0.3 -6,-0.2 -6,-0.2 2,-0.1 -0.349 42.3 -97.4 -59.7 150.7 57.7 5.3 36.6 219 227 A L - 0 0 7 -8,-0.8 -1,-0.1 -11,-0.3 -8,-0.0 -0.454 47.5 -99.0 -60.0 143.4 54.9 3.4 34.7 220 228 A S > - 0 0 67 1,-0.1 4,-2.5 -2,-0.1 5,-0.3 -0.442 40.9-107.5 -61.7 147.5 55.5 -0.3 34.9 221 229 A P H > S+ 0 0 41 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.872 118.5 50.9 -54.1 -41.9 57.1 -1.4 31.7 222 230 A H H > S+ 0 0 63 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.950 110.4 48.2 -59.3 -49.2 54.0 -3.1 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