==== 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 1AHH . COMPND 2 MOLECULE: 7 ALPHA-HYDROXYSTEROID DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.TANAKA,T.NONAKA,Y.MITSUI . 506 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20764.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 81.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 69 13.6 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 . 38 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.2 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 1 0 1 2 0 0 1 2 4 1 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 5 3 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 0.000 360.0 360.0 360.0 159.0 23.7 17.9 32.4 2 2 A F + 0 0 165 1,-0.0 2,-0.2 2,-0.0 0, 0.0 -0.203 360.0 179.6 -56.8 145.5 27.4 18.2 31.9 3 3 A N > - 0 0 73 1,-0.1 3,-2.4 0, 0.0 4,-0.4 -0.695 17.1-159.9-155.0 95.4 29.4 14.9 32.0 4 4 A S G > S+ 0 0 63 1,-0.3 3,-1.7 -2,-0.2 -1,-0.1 0.746 88.3 64.7 -46.8 -37.0 33.1 15.1 31.5 5 5 A D G > S+ 0 0 103 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.695 93.1 63.0 -65.8 -17.8 33.5 11.5 30.6 6 6 A N G < S+ 0 0 74 -3,-2.4 229,-1.4 1,-0.2 -1,-0.3 0.622 99.2 56.0 -77.4 -17.4 31.4 12.1 27.5 7 7 A L G < S+ 0 0 62 -3,-1.7 2,-0.3 -4,-0.4 -1,-0.2 0.259 100.3 79.1 -95.9 9.4 34.2 14.5 26.4 8 8 A R S < S- 0 0 87 -3,-1.0 27,-0.2 2,-0.1 227,-0.1 -0.856 70.5-138.1-120.4 161.4 36.9 11.8 26.6 9 9 A L > + 0 0 0 25,-1.8 3,-2.0 -2,-0.3 2,-0.3 -0.202 37.1 167.2-108.1 40.8 38.1 8.8 24.6 10 10 A D T 3 S+ 0 0 85 -5,-0.3 26,-0.2 1,-0.3 25,-0.1 -0.374 72.1 4.8 -62.5 120.0 38.6 6.3 27.3 11 11 A G T 3 S+ 0 0 52 24,-1.7 -1,-0.3 1,-0.3 2,-0.3 0.522 99.9 131.8 84.4 7.1 39.1 2.8 25.9 12 12 A K < - 0 0 58 -3,-2.0 25,-2.5 23,-0.2 2,-0.5 -0.655 47.7-145.9 -94.1 150.0 39.1 4.0 22.3 13 13 A C E -a 37 0A 5 -2,-0.3 77,-3.0 23,-0.2 78,-2.6 -0.964 21.4-171.7-116.2 122.4 41.6 3.0 19.7 14 14 A A E -ab 38 91A 0 23,-2.8 25,-2.1 -2,-0.5 2,-0.4 -0.923 20.0-152.6-122.4 141.6 42.5 5.7 17.1 15 15 A I E -ab 39 92A 0 76,-2.2 78,-2.4 -2,-0.4 2,-0.5 -0.899 16.1-166.7-103.4 132.5 44.5 5.8 13.9 16 16 A I E > -ab 40 93A 0 23,-2.0 25,-2.1 -2,-0.4 3,-0.8 -0.924 9.0-149.1-129.7 105.7 46.0 9.2 13.1 17 17 A T T 3 S+ 0 0 0 76,-2.2 78,-0.4 -2,-0.5 79,-0.2 -0.487 79.1 5.5 -72.2 134.0 47.3 9.7 9.7 18 18 A G T > S+ 0 0 12 49,-0.2 3,-0.5 -2,-0.2 6,-0.3 0.877 82.7 145.5 59.5 43.9 50.2 12.1 9.2 19 19 A A T < + 0 0 0 22,-2.4 23,-0.2 -3,-0.8 -1,-0.1 0.325 37.2 95.5 -96.4 11.4 50.6 12.6 13.0 20 20 A G T 3 S+ 0 0 6 21,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.640 97.2 3.2 -75.0 -15.3 54.3 13.0 13.1 21 21 A A S X S+ 0 0 59 -3,-0.5 3,-0.7 30,-0.0 4,-0.5 -0.985 104.6 10.2-161.2 168.0 54.0 16.7 13.0 22 22 A G T >> S- 0 0 27 -2,-0.3 4,-1.5 1,-0.2 3,-1.0 -0.188 118.4 -10.5 61.4-149.1 51.8 19.8 12.9 23 23 A I H 3> S+ 0 0 20 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.877 136.0 59.1 -48.4 -42.8 48.0 19.6 13.5 24 24 A G H <> S+ 0 0 0 -3,-0.7 4,-1.9 -6,-0.3 -1,-0.3 0.847 101.4 53.2 -58.5 -36.8 48.3 15.8 13.3 25 25 A K H <> S+ 0 0 51 -3,-1.0 4,-2.3 -4,-0.5 -1,-0.2 0.891 108.5 49.6 -67.5 -40.0 50.7 15.7 16.2 26 26 A E H X S+ 0 0 45 -4,-1.5 4,-2.9 -3,-0.2 5,-0.2 0.847 107.6 53.2 -67.4 -37.3 48.4 17.6 18.4 27 27 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.960 110.1 49.3 -63.0 -46.5 45.4 15.4 17.7 28 28 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.952 116.3 40.5 -55.5 -56.3 47.5 12.3 18.6 29 29 A I H X S+ 0 0 17 -4,-2.3 4,-2.7 1,-0.2 3,-0.2 0.966 115.5 50.3 -60.6 -53.3 48.7 13.8 21.9 30 30 A T H < S+ 0 0 19 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.836 112.6 48.9 -55.3 -32.4 45.3 15.4 22.8 31 31 A F H ><>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.2 3,-0.6 0.877 111.5 46.6 -74.9 -42.7 43.6 12.0 22.0 32 32 A A H ><5S+ 0 0 9 -4,-2.3 3,-1.7 -3,-0.2 -2,-0.2 0.881 109.5 55.8 -65.8 -36.4 46.0 9.9 24.1 33 33 A T T 3<5S+ 0 0 84 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.624 105.8 52.8 -71.0 -11.9 45.6 12.5 26.9 34 34 A A T < 5S- 0 0 8 -3,-0.6 -25,-1.8 -4,-0.3 -1,-0.3 0.151 131.5 -90.0-106.8 12.0 41.9 11.9 26.8 35 35 A G T < 5S+ 0 0 27 -3,-1.7 -24,-1.7 1,-0.2 2,-0.3 0.464 80.8 125.9 101.0 4.5 42.3 8.2 27.1 36 36 A A < - 0 0 4 -5,-2.0 2,-0.3 -26,-0.2 25,-0.3 -0.729 57.3-121.5-103.2 145.9 42.6 6.5 23.7 37 37 A S E -a 13 0A 22 -25,-2.5 -23,-2.8 -2,-0.3 2,-0.4 -0.643 38.8-153.6 -77.3 141.4 45.3 4.2 22.5 38 38 A V E -ac 14 62A 0 23,-2.2 25,-1.4 -2,-0.3 2,-0.6 -0.920 25.0-157.1-129.2 140.2 46.9 5.7 19.4 39 39 A V E -ac 15 63A 0 -25,-2.1 -23,-2.0 -2,-0.4 2,-0.8 -0.984 22.1-152.7-108.9 118.3 48.8 4.5 16.2 40 40 A V E -ac 16 64A 0 23,-3.2 25,-1.7 -2,-0.6 2,-0.3 -0.863 15.8-169.9 -96.0 103.9 50.9 7.5 15.0 41 41 A S E + c 0 65A 0 -25,-2.1 -22,-2.4 -2,-0.8 -21,-0.5 -0.758 19.3 138.7 -97.5 143.8 51.3 7.1 11.3 42 42 A D E - c 0 66A 29 23,-1.4 25,-1.1 -2,-0.3 3,-0.1 -0.944 54.8-124.0-175.0 152.6 53.7 9.2 9.1 43 43 A I S S+ 0 0 81 -2,-0.3 2,-1.6 23,-0.2 3,-0.1 0.856 103.9 69.4 -73.9 -33.6 56.2 8.9 6.3 44 44 A N S >> S- 0 0 92 1,-0.2 4,-1.7 23,-0.1 3,-1.7 -0.570 70.2-172.5 -88.2 80.5 58.9 10.4 8.4 45 45 A A H 3> S+ 0 0 37 -2,-1.6 4,-3.2 1,-0.3 5,-0.2 0.782 80.5 58.5 -40.0 -46.2 59.4 7.6 10.9 46 46 A D H 3> S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.921 108.7 46.7 -56.2 -39.9 61.7 9.5 13.2 47 47 A A H X> S+ 0 0 19 -3,-1.7 4,-2.0 2,-0.2 3,-0.6 0.962 111.7 49.9 -65.4 -50.4 58.9 12.1 13.6 48 48 A A H 3X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.3 -2,-0.2 0.925 111.5 50.4 -53.2 -46.2 56.3 9.4 14.3 49 49 A N H 3X S+ 0 0 88 -4,-3.2 4,-1.8 1,-0.2 -1,-0.3 0.779 106.0 54.5 -64.8 -31.4 58.6 7.9 16.9 50 50 A H H <>S+ 0 0 1 -4,-1.8 5,-2.6 -3,-0.3 3,-1.0 0.859 110.6 51.0 -76.5 -35.5 52.9 10.4 24.5 56 56 A Q H ><5S+ 0 0 107 -4,-1.8 3,-1.7 -3,-0.4 -2,-0.2 0.868 98.6 64.7 -70.9 -32.9 54.5 7.9 26.9 57 57 A Q T 3<5S+ 0 0 140 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.637 109.5 42.7 -63.0 -12.1 56.2 10.7 28.8 58 58 A L T < 5S- 0 0 101 -3,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.400 124.3-106.9-109.4 -9.0 52.6 11.6 29.5 59 59 A G T < 5S+ 0 0 67 -3,-1.7 -3,-0.2 1,-0.3 2,-0.1 0.487 77.8 125.8 96.2 0.1 51.5 8.1 30.2 60 60 A G < - 0 0 19 -5,-2.6 2,-0.6 -6,-0.1 -1,-0.3 -0.446 59.3-121.7 -84.9 166.2 49.4 7.5 27.1 61 61 A Q + 0 0 110 -25,-0.3 -23,-2.2 -2,-0.1 2,-0.3 -0.944 38.3 163.4-116.0 116.1 50.1 4.5 24.9 62 62 A A E -c 38 0A 3 -2,-0.6 2,-0.3 -10,-0.3 -23,-0.2 -0.799 20.3-156.2-122.8 164.1 51.1 5.1 21.3 63 63 A F E -c 39 0A 49 -25,-1.4 -23,-3.2 -2,-0.3 2,-0.3 -0.986 16.5-130.9-139.7 143.9 52.7 3.0 18.6 64 64 A A E +c 40 0A 26 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.755 24.6 171.9-101.6 149.1 54.5 4.1 15.5 65 65 A C E -c 41 0A 20 -25,-1.7 -23,-1.4 -2,-0.3 2,-0.3 -0.949 26.2-138.0-152.5 126.1 54.1 3.0 11.9 66 66 A R E +c 42 0A 115 -2,-0.3 2,-0.3 -25,-0.2 -23,-0.2 -0.710 36.5 164.0 -83.1 141.3 55.6 4.5 8.8 67 67 A C - 0 0 2 -25,-1.1 2,-0.8 -2,-0.3 -49,-0.2 -0.779 37.8-146.6-166.1 120.2 53.0 4.7 6.1 68 68 A D > - 0 0 42 -2,-0.3 3,-1.5 1,-0.2 6,-0.2 -0.790 17.5-153.3 -84.8 114.2 52.8 6.5 2.8 69 69 A I T 3 S+ 0 0 10 -2,-0.8 -1,-0.2 1,-0.2 56,-0.1 0.698 90.7 64.1 -62.3 -20.3 49.1 7.2 2.6 70 70 A T T 3 S+ 0 0 24 1,-0.1 2,-0.7 51,-0.0 -1,-0.2 0.529 86.0 82.7 -83.8 -2.5 49.4 7.3 -1.2 71 71 A S X> - 0 0 24 -3,-1.5 4,-2.0 1,-0.2 3,-1.2 -0.864 65.2-157.1-105.9 107.9 50.4 3.6 -1.4 72 72 A E H 3> S+ 0 0 88 -2,-0.7 4,-1.8 1,-0.3 5,-0.3 0.871 96.3 55.7 -47.7 -39.8 47.4 1.2 -1.3 73 73 A Q H 3> S+ 0 0 151 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.868 107.9 46.8 -63.8 -37.1 49.8 -1.5 -0.0 74 74 A E H <> S+ 0 0 52 -3,-1.2 4,-2.6 -6,-0.2 -1,-0.2 0.817 107.8 57.8 -76.6 -26.4 51.0 0.6 2.9 75 75 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.892 107.9 44.1 -69.0 -43.2 47.4 1.6 3.8 76 76 A S H X S+ 0 0 46 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.855 114.6 51.8 -68.8 -34.4 46.2 -2.0 4.3 77 77 A A H X S+ 0 0 48 -4,-1.3 4,-2.7 -5,-0.3 5,-0.2 0.927 107.5 51.1 -65.9 -44.1 49.4 -2.6 6.1 78 78 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.918 112.5 48.2 -56.5 -46.9 48.7 0.3 8.4 79 79 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.941 112.3 45.3 -61.3 -50.7 45.3 -1.1 9.0 80 80 A D H X S+ 0 0 109 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.885 114.7 50.6 -61.3 -40.2 46.4 -4.7 9.8 81 81 A F H X S+ 0 0 57 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.845 110.3 49.6 -65.9 -37.4 49.2 -3.2 12.0 82 82 A A H X>S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 5,-0.5 0.914 109.5 49.4 -70.8 -42.4 46.7 -1.0 13.9 83 83 A I H X5S+ 0 0 50 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.777 115.6 46.4 -69.1 -20.2 44.2 -3.8 14.6 84 84 A S H <5S+ 0 0 82 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.887 116.9 40.8 -86.5 -43.8 47.1 -5.9 15.9 85 85 A K H <5S+ 0 0 97 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.909 131.1 24.7 -71.3 -43.8 48.7 -3.3 18.0 86 86 A L H <5S- 0 0 21 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.607 96.4-127.9 -97.2 -19.1 45.5 -1.8 19.5 87 87 A G S < - 0 0 59 0, 0.0 3,-1.5 0, 0.0 51,-0.0 -0.300 36.9-111.7 -71.7 157.3 49.7 27.2 -11.9 104 104 A F T 3 S+ 0 0 19 1,-0.3 277,-0.1 53,-0.1 327,-0.0 0.790 116.1 54.5 -58.2 -31.7 47.0 26.1 -14.4 105 105 A D T 3 S+ 0 0 128 276,-0.0 -1,-0.3 3,-0.0 3,-0.1 -0.072 73.2 138.0 -97.6 33.4 49.6 24.6 -16.6 106 106 A M < - 0 0 5 -3,-1.5 -4,-0.0 1,-0.1 5,-0.0 -0.317 69.2 -90.4 -64.9 157.6 51.2 22.3 -14.0 107 107 A P >> - 0 0 78 0, 0.0 4,-1.2 0, 0.0 3,-0.7 -0.395 36.5-111.4 -68.6 161.0 51.9 18.9 -15.5 108 108 A M H 3> S+ 0 0 15 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.848 116.7 68.3 -60.7 -31.9 49.0 16.5 -15.1 109 109 A A H 3> S+ 0 0 66 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.920 98.4 50.6 -52.5 -43.7 51.1 14.5 -12.7 110 110 A D H <> S+ 0 0 56 -3,-0.7 4,-1.1 1,-0.2 -1,-0.3 0.893 112.4 47.7 -62.0 -38.3 50.9 17.4 -10.2 111 111 A F H >X S+ 0 0 0 -4,-1.2 4,-0.9 1,-0.2 3,-0.5 0.952 109.6 49.9 -67.7 -51.2 47.1 17.4 -10.6 112 112 A R H 3X S+ 0 0 69 -4,-3.1 4,-1.1 1,-0.2 3,-0.4 0.832 104.5 62.5 -56.7 -34.2 46.6 13.7 -10.2 113 113 A R H 3X S+ 0 0 114 -4,-1.9 4,-2.1 -5,-0.3 3,-0.3 0.860 92.9 59.2 -61.0 -44.4 48.8 13.8 -7.0 114 114 A A H S+ 0 0 0 -4,-0.9 5,-2.7 -3,-0.4 4,-1.9 0.875 104.6 54.7 -73.4 -33.5 43.8 13.5 -5.5 116 116 A E H <>S+ 0 0 47 -4,-1.1 5,-1.5 -3,-0.3 -1,-0.2 0.877 118.3 35.9 -64.4 -42.3 46.1 10.7 -4.2 117 117 A L H <5S+ 0 0 29 -4,-2.1 5,-0.3 3,-0.1 -2,-0.2 0.958 128.7 28.8 -75.5 -58.8 46.7 12.7 -1.0 118 118 A N H <5S+ 0 0 5 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.738 134.1 14.6 -78.2 -29.1 43.4 14.4 -0.3 119 119 A V T X5S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.4 -3,-0.2 0.826 119.5 42.4-115.8 -57.3 40.8 12.0 -1.9 120 120 A F H > S+ 0 0 0 -5,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.916 115.3 43.6 -52.9 -47.0 41.3 8.9 2.5 123 123 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.848 114.2 47.4 -71.0 -39.7 38.7 6.7 0.6 124 124 A H H X S+ 0 0 25 -4,-2.9 4,-1.5 2,-0.2 -2,-0.2 0.967 111.7 51.3 -67.9 -44.3 40.7 3.6 0.4 125 125 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.2 0.858 108.3 51.7 -59.8 -38.1 41.7 3.8 4.2 126 126 A S H X S+ 0 0 0 -4,-1.7 4,-3.3 -5,-0.3 -1,-0.2 0.931 106.8 54.2 -65.0 -39.8 38.0 4.2 5.2 127 127 A Q H < S+ 0 0 30 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.816 110.4 48.0 -60.8 -34.0 37.2 1.1 3.1 128 128 A L H < S+ 0 0 43 -4,-1.5 4,-0.5 2,-0.1 -1,-0.2 0.912 119.5 34.7 -74.8 -44.7 39.8 -0.7 5.1 129 129 A V H >X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 3,-1.3 0.865 99.4 78.7 -81.4 -31.7 38.7 0.3 8.6 130 130 A A H 3X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.3 5,-0.2 0.847 92.2 52.7 -44.3 -46.0 35.0 0.5 8.0 131 131 A P H 3> S+ 0 0 72 0, 0.0 4,-1.0 0, 0.0 -1,-0.3 0.865 110.5 48.1 -61.9 -35.8 34.7 -3.3 8.3 132 132 A E H X> S+ 0 0 19 -3,-1.3 4,-1.6 -4,-0.5 3,-0.6 0.951 112.4 47.5 -68.8 -47.2 36.5 -3.2 11.6 133 133 A M H 3<>S+ 0 0 0 -4,-2.4 5,-2.6 1,-0.3 4,-0.4 0.930 110.4 53.1 -61.0 -41.5 34.3 -0.4 13.0 134 134 A E H ><5S+ 0 0 94 -4,-2.9 3,-0.6 -5,-0.3 -1,-0.3 0.800 103.4 58.4 -63.9 -26.8 31.2 -2.3 11.8 135 135 A K H <<5S+ 0 0 145 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.921 108.4 44.5 -69.7 -38.6 32.4 -5.3 13.7 136 136 A N T 3<5S- 0 0 71 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.364 122.5-105.0 -86.4 1.6 32.4 -3.4 16.9 137 137 A G T < 5S- 0 0 50 -3,-0.6 2,-0.3 -4,-0.4 -3,-0.2 0.642 84.3 -0.7 85.6 16.9 29.1 -1.8 16.3 138 138 A G < + 0 0 13 -5,-2.6 2,-0.3 -6,-0.2 44,-0.3 -0.870 54.0 175.2 154.0 171.9 30.3 1.7 15.4 139 139 A G E - 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m 0 499C 0 56,-3.4 58,-2.2 -2,-0.4 2,-0.2 -0.913 22.3-160.8-106.5 98.1 23.8 21.0 -13.2 443 189 B P E - m 0 500C 16 0, 0.0 -42,-0.6 0, 0.0 58,-0.2 -0.572 4.4-146.3 -84.3 148.2 21.0 19.2 -15.1 444 190 B G - 0 0 17 56,-2.5 2,-1.0 -2,-0.2 57,-0.1 0.299 62.7 -32.7 -81.6-143.3 18.1 17.4 -13.4 445 191 B A - 0 0 18 56,-0.1 28,-2.5 18,-0.1 2,-0.5 -0.733 70.0-167.6 -83.1 103.3 16.4 14.3 -14.7 446 192 B I B -n 473 0D 18 -2,-1.0 2,-1.6 26,-0.2 28,-0.2 -0.874 20.1-133.5 -96.8 125.3 16.7 14.9 -18.4 447 193 B L + 0 0 26 26,-3.4 2,-0.2 -2,-0.5 -2,-0.0 -0.593 36.5 174.3 -81.3 83.5 14.5 12.6 -20.6 448 194 B T > - 0 0 34 -2,-1.6 4,-2.8 26,-0.1 3,-0.1 -0.593 50.2 -91.1 -88.4 152.1 17.1 11.6 -23.3 449 195 B D T 4 S+ 0 0 103 -2,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.571 123.8 52.7 -36.4 -24.7 16.2 9.0 -26.0 450 196 B A T >> S+ 0 0 69 2,-0.2 3,-2.8 3,-0.1 4,-0.9 0.964 114.6 35.6 -77.1 -71.8 17.6 6.2 -23.8 451 197 B L H >> S+ 0 0 51 1,-0.3 4,-3.1 2,-0.2 3,-1.2 0.868 103.8 78.8 -48.1 -39.0 15.7 6.7 -20.6 452 198 B K H 3< S+ 0 0 77 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.721 107.2 28.1 -43.3 -28.8 12.8 7.8 -22.9 453 199 B S H <4 S+ 0 0 110 -3,-2.8 -1,-0.3 -4,-0.2 -2,-0.2 0.504 118.6 55.8-111.3 -12.9 12.2 4.0 -23.4 454 200 B V H << S+ 0 0 112 -3,-1.2 -2,-0.2 -4,-0.9 -3,-0.2 0.642 93.6 89.6 -89.6 -19.4 13.5 2.7 -20.1 455 201 B I < - 0 0 29 -4,-3.1 -8,-0.0 -5,-0.2 3,-0.0 -0.467 62.6-158.4 -79.7 145.9 11.1 5.0 -18.3 456 202 B T > - 0 0 46 -2,-0.1 4,-2.0 1,-0.1 -3,-0.0 -0.995 30.0-116.9-127.1 134.3 7.6 3.8 -17.4 457 203 B P H > S+ 0 0 87 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.711 118.2 55.5 -39.8 -27.0 4.7 6.3 -16.6 458 204 B E H >> S+ 0 0 142 2,-0.2 3,-1.3 1,-0.2 4,-0.7 0.990 106.1 47.0 -70.2 -63.4 4.7 4.8 -13.2 459 205 B I H >> S+ 0 0 83 1,-0.3 4,-1.5 2,-0.2 3,-0.8 0.770 108.5 60.1 -46.3 -35.4 8.4 5.5 -12.5 460 206 B E H 3X S+ 0 0 53 -4,-2.0 4,-2.1 1,-0.2 -1,-0.3 0.911 95.9 56.4 -64.1 -44.8 7.8 9.0 -13.8 461 207 B Q H << S+ 0 0 90 -4,-1.3 -1,-0.2 -3,-1.3 -2,-0.2 0.634 107.5 54.9 -64.0 -11.9 5.2 10.1 -11.3 462 208 B K H X< S+ 0 0 85 -3,-0.8 3,-1.2 -4,-0.7 45,-0.3 0.924 107.7 42.1 -87.6 -48.9 7.8 9.2 -8.6 463 209 B M H >< S+ 0 0 30 -4,-1.5 3,-1.1 1,-0.3 44,-0.5 0.916 114.7 53.6 -62.5 -43.4 10.8 11.3 -9.7 464 210 B L G >< S+ 0 0 4 -4,-2.1 3,-1.5 1,-0.2 -1,-0.3 0.537 81.4 98.0 -68.1 -7.6 8.5 14.2 -10.4 465 211 B Q G < S+ 0 0 104 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.747 93.8 29.0 -56.3 -29.3 7.1 13.8 -6.9 466 212 B H G < S+ 0 0 115 -3,-1.1 39,-0.7 39,-0.3 -1,-0.3 0.131 93.4 106.3-122.9 26.1 9.3 16.6 -5.6 467 213 B T < - 0 0 10 -3,-1.5 36,-0.1 37,-0.2 35,-0.1 -0.901 54.9-154.6-108.8 116.6 9.8 18.9 -8.6 468 214 B P S S+ 0 0 90 0, 0.0 2,-1.6 0, 0.0 35,-0.2 0.918 93.5 54.5 -54.5 -50.9 7.8 22.1 -8.6 469 215 B I S S- 0 0 105 33,-2.2 2,-2.3 32,-0.1 35,-0.1 -0.716 96.5-144.9 -87.7 87.7 7.7 22.4 -12.4 470 216 B R + 0 0 130 -2,-1.6 2,-0.3 -5,-0.1 -1,-0.1 -0.272 61.1 84.5 -62.5 67.7 6.1 19.0 -12.7 471 217 B R S S- 0 0 119 -2,-2.3 -2,-0.1 31,-0.0 3,-0.1 -0.960 79.0-105.7-162.0 142.3 7.6 17.6 -16.0 472 218 B L - 0 0 10 -2,-0.3 -26,-0.2 1,-0.1 2,-0.1 -0.330 47.9 -96.2 -68.1 156.7 10.9 15.8 -16.7 473 219 B G B -n 446 0D 15 -28,-2.5 -26,-3.4 27,-0.1 -1,-0.1 -0.363 30.3-145.3 -76.6 154.0 13.6 17.8 -18.4 474 220 B Q >> - 0 0 67 -28,-0.2 3,-1.3 -3,-0.1 4,-0.8 -0.884 27.7-111.9-114.5 152.1 14.1 17.7 -22.1 475 221 B P H 3> S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.735 114.6 66.7 -53.9 -25.8 17.6 18.0 -23.7 476 222 B Q H 3> S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 90.4 61.1 -65.4 -39.2 16.6 21.4 -25.1 477 223 B D H <> S+ 0 0 39 -3,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.887 110.4 41.4 -53.8 -41.0 16.4 22.9 -21.7 478 224 B I H X S+ 0 0 0 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.906 113.0 52.4 -75.4 -40.1 20.1 22.2 -21.2 479 225 B A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.833 107.1 55.9 -63.5 -31.9 21.0 23.2 -24.7 480 226 B N H X S+ 0 0 82 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.869 110.3 42.5 -67.1 -40.3 19.2 26.5 -24.0 481 227 B A H X S+ 0 0 12 -4,-1.2 4,-2.9 -3,-0.2 -2,-0.2 0.818 112.2 54.2 -77.9 -33.8 21.2 27.4 -20.9 482 228 B A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.927 107.9 50.7 -67.0 -39.3 24.4 26.3 -22.6 483 229 B L H >X S+ 0 0 26 -4,-2.0 4,-1.5 2,-0.2 3,-0.9 0.975 114.4 43.0 -59.6 -55.4 23.8 28.6 -25.5 484 230 B F H >< S+ 0 0 86 -4,-1.8 3,-1.1 1,-0.3 6,-0.5 0.963 113.8 51.2 -55.3 -53.5 23.1 31.6 -23.2 485 231 B L H 3< S+ 0 0 8 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.660 118.2 38.6 -60.6 -20.9 26.0 30.7 -21.0 486 232 B C H << S+ 0 0 5 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.496 100.3 94.5-104.8 -6.3 28.3 30.6 -24.0 487 233 B S S X< S- 0 0 0 -4,-1.5 3,-2.5 -3,-1.1 -226,-0.1 -0.522 89.0-111.5 -85.3 153.5 26.8 33.5 -25.9 488 234 B P G > S+ 0 0 42 0, 0.0 3,-1.3 0, 0.0 -227,-0.2 0.707 110.7 77.5 -56.3 -18.8 28.1 37.1 -25.6 489 235 B A G 3 S+ 0 0 42 -229,-1.6 3,-0.2 1,-0.3 -228,-0.1 0.694 95.5 47.2 -64.7 -20.5 25.0 38.0 -23.7 490 236 B A G X S+ 0 0 2 -3,-2.5 3,-1.2 -6,-0.5 -1,-0.3 -0.265 73.6 134.7-115.1 47.9 26.5 36.3 -20.6 491 237 B S T < S+ 0 0 81 -3,-1.3 -1,-0.1 1,-0.2 -2,-0.1 0.487 72.3 44.5 -74.8 -9.5 29.9 38.0 -21.0 492 238 B W T 3 S+ 0 0 253 -3,-0.2 2,-0.6 -4,-0.0 -1,-0.2 0.121 90.2 99.2-121.6 22.4 30.2 38.9 -17.3 493 239 B V < + 0 0 46 -3,-1.2 2,-0.3 -8,-0.1 -3,-0.1 -0.925 46.3 147.8-109.3 108.7 29.0 35.6 -16.0 494 240 B S + 0 0 43 -2,-0.6 -55,-0.2 -57,-0.1 3,-0.1 -0.981 53.0 23.7-141.8 156.2 31.9 33.3 -14.9 495 241 B G S S+ 0 0 10 -57,-3.9 -56,-0.2 -2,-0.3 2,-0.2 0.611 87.3 133.7 67.4 16.3 32.5 30.7 -12.3 496 242 B Q E -m 439 0C 114 -58,-0.5 -56,-1.5 -72,-0.1 2,-0.4 -0.578 45.6-156.1 -98.2 159.7 28.8 29.9 -12.0 497 243 B I E -m 440 0C 30 -58,-0.2 2,-0.4 -2,-0.2 -56,-0.2 -0.942 15.8-158.5-134.8 106.8 27.1 26.5 -11.9 498 244 B L E -m 441 0C 79 -58,-2.2 -56,-3.4 -2,-0.4 2,-0.5 -0.754 4.7-147.3 -93.2 131.4 23.4 26.8 -13.1 499 245 B T E -m 442 0C 52 -2,-0.4 2,-0.6 -58,-0.2 4,-0.1 -0.867 11.3-172.3-101.8 129.2 21.0 24.1 -12.1 500 246 B V E +m 443 0C 38 -58,-2.2 -56,-2.5 -2,-0.5 -27,-0.1 -0.934 42.0 118.2-118.0 98.0 18.2 23.2 -14.5 501 247 B S S > S- 0 0 16 -2,-0.6 3,-1.0 -58,-0.2 -56,-0.1 0.170 87.2 -97.2-149.6 15.8 15.8 20.8 -12.6 502 248 B G T 3 S- 0 0 29 1,-0.2 -33,-2.2 -3,-0.1 3,-0.1 0.814 79.7 -61.8 67.5 30.4 12.5 22.6 -12.5 503 249 B G T 3 S+ 0 0 70 1,-0.2 -1,-0.2 -35,-0.2 2,-0.2 0.543 118.4 55.3 74.0 13.3 13.2 23.8 -8.9 504 250 B G S < S- 0 0 12 -3,-1.0 2,-0.4 -35,-0.1 -1,-0.2 -0.691 83.4 -85.6-150.5-159.3 13.5 20.4 -7.3 505 251 B V - 0 0 61 -39,-0.7 2,-0.6 -2,-0.2 -39,-0.3 -0.991 24.7-148.8-131.0 124.6 15.1 17.0 -7.2 506 252 B Q 0 0 25 -2,-0.4 -43,-0.2 -41,-0.1 -42,-0.2 -0.844 360.0 360.0 -95.0 119.1 14.0 14.1 -9.2 507 253 B E 0 0 90 -2,-0.6 -42,-0.1 -44,-0.5 -43,-0.1 -0.635 360.0 360.0 -67.2 360.0 14.7 10.9 -7.3