==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-AUG-95 1AHI . COMPND 2 MOLECULE: 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.TANAKA,T.NONAKA,Y.MITSUI . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 403 79.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 43 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 37.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.9 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 0 0 2 0 1 1 0 3 3 2 0 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 6 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 2 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 1 A M 0 0 234 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.1 23.5 17.7 32.4 2 2 A F - 0 0 163 1,-0.0 2,-0.3 2,-0.0 0, 0.0 -0.326 360.0-176.3 -61.2 141.9 27.2 18.2 31.7 3 3 A N > - 0 0 78 1,-0.1 3,-2.3 0, 0.0 4,-0.3 -0.831 18.3-156.2-146.2 106.3 29.4 15.0 32.1 4 4 A S G > S+ 0 0 71 -2,-0.3 3,-1.2 1,-0.3 -1,-0.1 0.727 90.2 66.0 -54.7 -29.0 33.1 15.3 31.7 5 5 A D G > S+ 0 0 100 1,-0.2 3,-0.9 2,-0.1 -1,-0.3 0.674 90.4 65.6 -70.4 -14.6 33.5 11.7 30.7 6 6 A N G < S+ 0 0 75 -3,-2.3 229,-1.1 1,-0.2 -1,-0.2 0.559 97.5 53.7 -82.3 -9.3 31.6 12.3 27.4 7 7 A L G < S+ 0 0 69 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.2 0.047 99.2 84.3-109.1 17.2 34.3 14.6 26.1 8 8 A R S < S- 0 0 90 -3,-0.9 27,-0.2 2,-0.1 227,-0.1 -0.876 70.3-141.4-121.0 159.5 37.0 12.0 26.6 9 9 A L > + 0 0 0 25,-2.3 3,-2.6 -2,-0.3 28,-0.2 -0.062 36.3 165.5-109.7 29.4 38.1 9.0 24.5 10 10 A D T 3 S+ 0 0 81 24,-0.4 26,-0.2 1,-0.3 25,-0.1 -0.253 73.3 5.7 -52.0 119.5 38.7 6.5 27.4 11 11 A G T 3 S+ 0 0 54 24,-1.7 2,-0.3 1,-0.3 -1,-0.3 0.488 99.5 128.5 84.2 2.9 39.0 3.0 25.9 12 12 A K < - 0 0 60 -3,-2.6 25,-2.4 23,-0.4 2,-0.5 -0.712 48.1-148.1 -93.7 143.9 39.0 4.2 22.3 13 13 A C E -a 37 0A 6 -2,-0.3 77,-3.3 23,-0.2 78,-2.1 -0.960 19.5-171.5-114.3 124.4 41.6 3.2 19.8 14 14 A A E -ab 38 91A 0 23,-2.4 25,-2.4 -2,-0.5 2,-0.5 -0.953 22.1-149.0-124.1 135.7 42.5 5.7 17.1 15 15 A I E -ab 39 92A 0 76,-2.4 78,-2.4 -2,-0.4 2,-0.6 -0.852 21.3-164.1 -95.5 123.7 44.6 5.6 13.9 16 16 A I E > -ab 40 93A 0 23,-2.5 25,-2.4 -2,-0.5 3,-0.7 -0.948 5.9-149.7-118.2 116.3 46.1 9.1 13.3 17 17 A T T 3 S+ 0 0 0 76,-2.6 78,-0.2 -2,-0.6 25,-0.1 -0.555 76.7 7.8 -85.7 139.2 47.4 9.8 9.9 18 18 A G T > S+ 0 0 14 23,-0.3 3,-0.6 -2,-0.2 6,-0.3 0.905 83.3 151.6 57.3 44.5 50.3 12.2 9.3 19 19 A A T < + 0 0 0 22,-2.7 23,-0.2 -3,-0.7 -1,-0.1 0.262 40.1 87.1 -93.3 15.2 50.7 12.5 13.1 20 20 A G T 3 S+ 0 0 5 21,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.673 96.8 17.1 -88.0 -15.6 54.4 13.3 13.4 21 21 A A S X> S- 0 0 57 -3,-0.6 3,-0.8 30,-0.0 4,-0.5 -0.994 102.0 -9.7-156.0 162.6 53.9 17.0 13.0 22 22 A G H >> S- 0 0 21 -2,-0.3 4,-1.7 1,-0.2 3,-0.7 -0.130 120.6 -3.3 54.0-146.1 51.7 20.1 13.1 23 23 A I H 3> S+ 0 0 22 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.875 135.7 57.5 -39.7 -48.1 47.9 19.6 13.4 24 24 A G H <> S+ 0 0 0 -3,-0.8 4,-2.1 -6,-0.3 -1,-0.3 0.906 105.5 47.6 -54.2 -49.2 48.5 15.9 13.2 25 25 A K H <>S+ 0 0 0 -4,-2.5 5,-2.2 2,-0.2 3,-1.0 0.900 114.3 43.0 -74.7 -49.3 43.6 12.2 22.0 32 32 A A H ><5S+ 0 0 12 -4,-2.5 3,-1.2 1,-0.3 -2,-0.2 0.819 112.3 56.7 -65.4 -34.7 46.0 9.9 24.0 33 33 A T T 3<5S+ 0 0 72 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.509 104.5 53.5 -74.1 -7.7 45.8 12.5 26.7 34 34 A A T < 5S- 0 0 8 -3,-1.0 -25,-2.3 -5,-0.2 -24,-0.4 0.166 134.0 -82.4-112.6 14.7 42.0 12.1 26.7 35 35 A G T < 5S+ 0 0 24 -3,-1.2 -24,-1.7 1,-0.3 -23,-0.4 0.457 86.8 128.1 103.1 2.5 42.1 8.3 27.2 36 36 A A < - 0 0 4 -5,-2.2 2,-0.6 -26,-0.2 25,-0.5 -0.705 56.4-130.9 -97.4 144.0 42.6 6.9 23.7 37 37 A S E -a 13 0A 28 -25,-2.4 -23,-2.4 -2,-0.3 2,-0.4 -0.825 37.7-153.2 -86.1 124.7 45.3 4.4 22.6 38 38 A V E -ac 14 62A 0 23,-2.5 25,-1.7 -2,-0.6 2,-0.5 -0.831 22.5-156.5-114.7 139.3 46.9 6.0 19.6 39 39 A V E -ac 15 63A 0 -25,-2.4 -23,-2.5 -2,-0.4 2,-0.8 -0.960 20.3-150.6-105.5 125.4 48.7 4.7 16.5 40 40 A V E -ac 16 64A 0 23,-3.5 25,-2.0 -2,-0.5 2,-0.4 -0.841 14.4-173.8-105.9 100.6 50.9 7.4 15.0 41 41 A S E + c 0 65A 1 -25,-2.4 -22,-2.7 -2,-0.8 -23,-0.3 -0.748 18.1 143.1 -94.7 134.8 51.4 7.1 11.2 42 42 A D E - c 0 66A 24 23,-1.8 25,-0.6 -2,-0.4 3,-0.1 -0.965 50.7-131.1-163.1 156.2 53.8 9.3 9.4 43 43 A I S S+ 0 0 81 -2,-0.3 2,-1.6 1,-0.2 3,-0.1 0.817 100.6 69.4 -82.2 -31.2 56.2 9.1 6.5 44 44 A N S >> S- 0 0 83 1,-0.2 4,-2.1 -3,-0.1 3,-1.0 -0.667 73.0-168.7 -88.3 84.2 59.0 10.7 8.5 45 45 A A H 3> S+ 0 0 35 -2,-1.6 4,-2.5 1,-0.3 5,-0.2 0.787 80.6 59.7 -43.9 -39.7 59.5 7.8 10.9 46 46 A D H 3> S+ 0 0 130 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.931 107.7 44.8 -58.8 -46.4 61.8 9.9 13.2 47 47 A A H <> S+ 0 0 21 -3,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.937 111.3 54.5 -63.0 -43.8 59.0 12.4 13.7 48 48 A A H X S+ 0 0 1 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.869 109.7 46.8 -58.9 -38.6 56.5 9.5 14.2 49 49 A N H X S+ 0 0 85 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.896 107.1 56.9 -73.1 -37.1 58.7 8.0 16.9 50 50 A H H X S+ 0 0 83 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.885 105.0 51.6 -59.2 -42.3 59.2 11.2 18.7 51 51 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.932 105.8 54.8 -63.7 -40.9 55.5 11.7 19.2 52 52 A V H X S+ 0 0 10 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.895 109.0 48.3 -58.7 -41.3 55.1 8.3 20.7 53 53 A D H X S+ 0 0 87 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.941 110.3 51.5 -62.1 -50.7 57.8 9.1 23.3 54 54 A E H X S+ 0 0 56 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.884 112.1 47.1 -52.3 -43.3 56.0 12.4 24.0 55 55 A I H <>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 -1,-0.2 0.909 110.6 51.5 -67.8 -43.2 52.8 10.5 24.5 56 56 A Q H ><5S+ 0 0 101 -4,-2.6 3,-2.0 3,-0.2 -2,-0.2 0.887 105.8 52.6 -63.7 -42.6 54.3 7.9 26.7 57 57 A Q H 3<5S+ 0 0 160 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.932 105.7 57.0 -58.4 -41.7 55.9 10.3 29.1 58 58 A L T 3<5S- 0 0 97 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.395 132.1 -98.3 -68.3 3.1 52.5 11.9 29.4 59 59 A G T < 5S+ 0 0 70 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.659 79.0 145.2 85.5 18.1 51.2 8.5 30.5 60 60 A G < - 0 0 19 -5,-3.1 2,-0.5 -6,-0.1 -1,-0.2 -0.345 50.1-130.5 -89.5 170.3 49.9 7.6 27.0 61 61 A Q + 0 0 83 -25,-0.5 -23,-2.5 -29,-0.1 2,-0.3 -0.950 42.8 153.0-120.1 108.8 49.7 4.4 25.0 62 62 A A E -c 38 0A 4 -2,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.980 27.3-164.7-143.5 154.3 51.0 4.8 21.4 63 63 A F E -c 39 0A 44 -25,-1.7 -23,-3.5 -2,-0.3 2,-0.3 -0.959 20.1-132.4-133.0 149.7 52.6 2.9 18.6 64 64 A A E -c 40 0A 27 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.741 17.5-175.0-107.0 154.1 54.4 4.2 15.5 65 65 A C E -c 41 0A 22 -25,-2.0 -23,-1.8 -2,-0.3 2,-1.1 -0.992 22.6-143.6-145.6 135.8 54.0 3.3 11.9 66 66 A R E +c 42 0A 117 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.685 45.9 155.3-101.3 74.8 56.1 4.4 8.9 67 67 A C - 0 0 4 -2,-1.1 2,-0.6 -25,-0.6 -49,-0.1 -0.766 39.8-150.4-104.3 152.2 53.2 4.6 6.4 68 68 A D > - 0 0 35 -2,-0.3 3,-0.5 3,-0.2 6,-0.2 -0.991 11.7-151.3-116.8 117.4 52.8 6.6 3.3 69 69 A I T 3 S+ 0 0 12 -2,-0.6 2,-1.5 1,-0.2 6,-0.1 0.878 89.7 71.8 -58.8 -34.4 49.1 7.3 2.8 70 70 A T T 3 S+ 0 0 32 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 -0.144 83.9 78.0 -78.2 46.0 49.8 7.4 -1.0 71 71 A S X> - 0 0 34 -2,-1.5 4,-2.1 -3,-0.5 3,-0.9 -0.811 64.2-155.2-154.3 104.6 50.4 3.7 -1.3 72 72 A E H 3> S+ 0 0 75 1,-0.3 4,-2.2 -2,-0.3 5,-0.3 0.907 100.5 52.6 -45.7 -44.7 47.4 1.2 -1.3 73 73 A Q H 3> S+ 0 0 137 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.806 109.0 45.8 -63.9 -36.3 49.9 -1.4 -0.1 74 74 A E H <> S+ 0 0 55 -3,-0.9 4,-2.2 -6,-0.2 -1,-0.2 0.754 110.1 58.8 -80.6 -20.0 51.1 0.6 2.8 75 75 A L H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.948 105.0 44.4 -71.9 -52.5 47.5 1.5 3.7 76 76 A S H X S+ 0 0 46 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.840 114.6 54.4 -62.9 -27.7 46.2 -2.0 4.2 77 77 A A H X S+ 0 0 46 -4,-0.9 4,-3.2 -5,-0.3 -2,-0.2 0.943 106.5 48.0 -67.5 -50.3 49.5 -2.6 6.1 78 78 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.870 111.1 53.4 -55.9 -41.9 48.9 0.4 8.5 79 79 A A H X S+ 0 0 4 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.892 111.3 44.5 -64.2 -37.9 45.4 -0.9 9.0 80 80 A D H X S+ 0 0 115 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.925 110.9 53.3 -72.6 -42.5 46.7 -4.4 9.9 81 81 A F H X S+ 0 0 48 -4,-3.2 4,-2.6 1,-0.2 5,-0.3 0.917 108.4 52.5 -56.5 -44.6 49.4 -2.9 12.2 82 82 A A H X>S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.7 0.911 109.0 46.1 -59.3 -50.7 46.6 -0.9 14.0 83 83 A I H X5S+ 0 0 55 -4,-1.7 4,-0.8 3,-0.2 -1,-0.2 0.822 114.3 50.6 -64.3 -31.2 44.4 -3.9 14.7 84 84 A S H <5S+ 0 0 80 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.932 119.2 34.0 -72.1 -47.4 47.4 -5.9 15.9 85 85 A K H <5S+ 0 0 95 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.929 133.1 28.4 -72.6 -47.5 48.7 -3.3 18.3 86 86 A L H <5S- 0 0 26 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.840 91.9-134.2 -85.2 -38.9 45.4 -1.8 19.4 87 87 A G S < - 0 0 54 0, 0.0 3,-1.8 0, 0.0 55,-0.1 -0.479 33.3-107.2 -78.7 159.4 49.7 27.1 -11.7 104 104 A F T 3 S+ 0 0 20 1,-0.3 329,-0.0 -2,-0.1 325,-0.0 0.817 118.3 53.6 -55.3 -32.5 47.1 26.2 -14.4 105 105 A D T 3 S+ 0 0 130 278,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.015 77.8 135.8 -93.9 24.8 49.8 24.8 -16.6 106 106 A M < - 0 0 5 -3,-1.8 2,-0.1 1,-0.1 -4,-0.0 -0.263 68.2 -88.0 -66.0 161.8 51.2 22.4 -14.1 107 107 A P >> - 0 0 76 0, 0.0 4,-1.8 0, 0.0 3,-1.2 -0.459 33.3-118.7 -69.6 150.8 51.9 18.8 -15.3 108 108 A M H 3> S+ 0 0 15 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.771 115.1 64.8 -59.6 -25.7 49.0 16.5 -15.0 109 109 A A H 3> S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.858 103.1 46.8 -64.6 -35.8 51.1 14.4 -12.7 110 110 A D H <> S+ 0 0 62 -3,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.895 111.3 50.9 -70.4 -43.2 51.1 17.3 -10.2 111 111 A F H X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 3,-0.4 0.941 112.0 48.4 -59.8 -43.2 47.3 17.7 -10.7 112 112 A R H >X S+ 0 0 61 -4,-2.9 4,-1.2 1,-0.2 3,-0.5 0.813 100.2 64.1 -68.6 -31.6 46.9 14.0 -10.0 113 113 A R H 3X S+ 0 0 124 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.856 95.6 58.7 -62.2 -36.0 49.1 13.9 -6.8 114 114 A A H 3X S+ 0 0 2 -4,-1.1 4,-3.0 -3,-0.4 5,-0.3 0.850 106.3 49.7 -63.3 -31.1 46.7 16.2 -4.9 115 115 A Y H S+ 0 0 0 -4,-0.7 5,-2.8 -3,-0.5 4,-1.5 0.789 109.7 49.9 -77.8 -28.1 44.0 13.6 -5.5 116 116 A E H <>S+ 0 0 49 -4,-1.2 5,-1.5 3,-0.2 6,-0.2 0.917 118.5 40.0 -72.5 -45.2 46.1 10.8 -4.3 117 117 A L H <5S+ 0 0 16 -4,-2.7 5,-0.3 1,-0.1 -2,-0.2 0.938 128.3 27.6 -68.2 -52.0 46.9 12.8 -1.2 118 118 A N H <5S+ 0 0 3 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.655 133.5 13.6 -88.9 -21.7 43.6 14.4 -0.5 119 119 A V T X5S+ 0 0 0 -4,-1.5 4,-2.9 -5,-0.3 5,-0.2 0.742 118.1 46.3-120.8 -61.4 40.9 12.0 -1.9 120 120 A F H > S+ 0 0 0 -5,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.903 115.4 43.4 -50.0 -53.2 41.3 9.0 2.5 123 123 A F H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.927 115.7 47.3 -64.6 -43.7 38.6 7.0 0.7 124 124 A H H X S+ 0 0 25 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.895 111.1 49.6 -67.2 -38.1 40.7 3.8 0.5 125 125 A L H X S+ 0 0 0 -4,-3.2 4,-1.7 1,-0.2 5,-0.2 0.905 108.3 55.4 -65.6 -37.7 41.8 3.8 4.2 126 126 A S H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.2 0.876 107.2 49.9 -59.5 -39.7 38.1 4.4 5.1 127 127 A Q H < S+ 0 0 27 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.844 110.7 49.3 -65.3 -40.5 37.3 1.2 3.2 128 128 A L H < S+ 0 0 53 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.751 120.0 36.9 -70.2 -27.1 40.0 -0.7 5.0 129 129 A V H >X S+ 0 0 1 -4,-1.7 4,-1.7 -5,-0.1 3,-1.6 0.846 97.4 74.6 -95.9 -40.2 38.8 0.5 8.4 130 130 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.3 5,-0.2 0.781 91.1 58.6 -44.4 -42.0 35.0 0.6 8.2 131 131 A P H 3> S+ 0 0 69 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.819 106.4 48.6 -61.5 -34.9 34.7 -3.3 8.4 132 132 A E H <> S+ 0 0 31 -3,-1.6 4,-1.8 -4,-0.2 5,-0.2 0.979 112.5 47.9 -67.5 -53.9 36.4 -3.3 11.7 133 133 A M H X>S+ 0 0 0 -4,-1.7 5,-2.8 1,-0.2 4,-0.7 0.890 110.9 51.0 -52.5 -45.7 34.2 -0.5 13.1 134 134 A E H ><5S+ 0 0 93 -4,-2.8 3,-2.1 1,-0.2 -1,-0.2 0.958 106.5 55.5 -57.7 -48.2 31.1 -2.2 11.8 135 135 A K H 3<5S+ 0 0 156 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.825 109.8 45.9 -54.5 -35.8 32.2 -5.4 13.6 136 136 A N H 3<5S- 0 0 69 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.481 123.2-104.9 -85.8 -7.5 32.5 -3.5 16.9 137 137 A G T <<5S- 0 0 48 -3,-2.1 2,-0.2 -4,-0.7 -3,-0.2 0.597 83.2 -6.2 95.8 10.5 29.1 -1.8 16.3 138 138 A G < + 0 0 14 -5,-2.8 2,-0.3 -6,-0.2 44,-0.2 -0.817 54.6 174.6 153.5 170.3 30.3 1.7 15.4 139 139 A G E - 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f 0 245A 0 56,-3.3 58,-1.0 -2,-0.4 -42,-0.2 -0.844 18.3-161.9-113.2 91.8 38.2 22.7 7.5 189 189 A P E - f 0 246A 14 0, 0.0 -42,-1.1 0, 0.0 58,-0.2 -0.336 5.9-150.9 -76.3 154.8 41.0 24.8 9.1 190 190 A G - 0 0 18 56,-1.7 2,-1.4 1,-0.2 57,-0.1 0.055 66.9 -18.2 -96.9-145.9 42.1 28.2 8.1 191 191 A A S S- 0 0 7 56,-0.1 28,-1.9 -2,-0.1 2,-0.5 -0.408 72.1-173.4 -65.7 91.8 45.6 29.7 8.4 192 192 A I B -g 219 0B 11 -2,-1.4 2,-1.6 26,-0.2 5,-0.3 -0.785 31.3-117.6 -90.7 128.2 47.0 27.3 11.0 193 193 A L + 0 0 66 26,-3.5 2,-0.3 -2,-0.5 -1,-0.1 -0.484 65.3 132.0 -68.2 89.1 50.5 28.3 12.2 194 194 A T S > S- 0 0 23 -2,-1.6 4,-3.2 26,-0.1 5,-0.2 -0.871 74.4-105.7-133.7 164.5 52.5 25.2 11.0 195 195 A D H > S+ 0 0 108 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.905 124.3 59.6 -59.2 -36.3 55.7 24.8 9.0 196 196 A A H > S+ 0 0 71 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.910 108.9 42.2 -56.8 -43.7 53.4 23.9 6.1 197 197 A L H >> S+ 0 0 23 -5,-0.3 3,-1.3 1,-0.2 4,-1.1 0.949 111.3 56.2 -69.5 -44.1 51.9 27.4 6.5 198 198 A K H 3< S+ 0 0 104 -4,-3.2 3,-0.3 1,-0.3 -2,-0.2 0.820 98.9 60.7 -57.5 -32.6 55.3 29.0 7.0 199 199 A S H 3< S+ 0 0 105 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.800 117.6 28.7 -67.3 -28.8 56.6 27.6 3.7 200 200 A V H << S+ 0 0 57 -3,-1.3 2,-0.4 -4,-0.7 -1,-0.2 0.381 102.0 94.7-113.0 2.7 54.0 29.4 1.6 201 201 A I < - 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