==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-11 3QVM . COMPND 2 MOLECULE: OLEI00960; . SOURCE 2 ORGANISM_SCIENTIFIC: OLEISPIRA ANTARCTICA; . AUTHOR A.U.SINGER,O.KAGAN,Y.KIM,A.M.EDWARDS,A.JOACHIMIAK,A.SAVCHENK . 553 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 413 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.6 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 . 2 0.4 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 . 44 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 2 0 2 0 0 2 0 3 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 4 2 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 PARALLEL BRIDGES PER LADDER . 2 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 5 A D 0 0 155 0, 0.0 2,-0.5 0, 0.0 112,-0.0 0.000 360.0 360.0 360.0 163.4 52.4 10.7 -1.7 2 6 A V - 0 0 43 111,-0.1 79,-0.0 82,-0.1 0, 0.0 -0.857 360.0-117.0-101.3 125.4 52.3 14.3 -3.1 3 7 A I - 0 0 94 -2,-0.5 2,-0.6 1,-0.1 86,-0.2 -0.249 20.8-148.1 -56.9 139.5 50.0 15.2 -5.9 4 8 A C - 0 0 90 84,-0.1 2,-0.1 85,-0.1 -1,-0.1 -0.928 17.1-173.2-113.9 105.7 51.7 16.3 -9.1 5 9 A Y - 0 0 69 -2,-0.6 2,-0.2 80,-0.4 3,-0.0 -0.425 40.7 -82.6 -83.8 167.3 49.6 18.8 -11.1 6 10 A E >> - 0 0 51 1,-0.1 3,-1.6 -2,-0.1 4,-1.5 -0.514 38.2-121.7 -64.8 139.4 50.5 20.1 -14.6 7 11 A K H 3> S+ 0 0 121 1,-0.3 4,-1.8 82,-0.3 -1,-0.1 0.921 118.0 57.7 -45.0 -46.2 53.0 22.9 -14.2 8 12 A E H 3> S+ 0 0 140 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.814 104.0 54.0 -53.6 -33.4 50.4 24.9 -16.1 9 13 A D H <> S+ 0 0 85 -3,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.921 107.7 42.3 -75.8 -49.6 47.8 24.1 -13.4 10 14 A V H X S+ 0 0 0 -4,-1.5 4,-3.0 1,-0.2 6,-0.3 0.860 107.1 65.0 -68.3 -33.8 49.6 25.3 -10.2 11 15 A V H <>S+ 0 0 53 -4,-1.8 5,-2.1 -5,-0.3 4,-0.2 0.905 110.9 33.8 -52.4 -49.5 50.8 28.4 -11.9 12 16 A K H ><5S+ 0 0 172 -4,-1.1 3,-0.7 3,-0.2 -1,-0.2 0.891 117.9 54.1 -77.2 -39.9 47.3 29.8 -12.4 13 17 A R H 3<5S+ 0 0 19 -4,-2.0 51,-2.2 1,-0.2 -2,-0.2 0.875 121.0 30.1 -61.4 -40.1 45.9 28.3 -9.2 14 18 A N T 3<5S- 0 0 0 -4,-3.0 42,-3.5 49,-0.2 -1,-0.2 0.232 104.5-121.5-105.9 10.0 48.6 29.9 -7.0 15 19 A N T < 5 - 0 0 44 -3,-0.7 -3,-0.2 -4,-0.2 2,-0.2 0.900 42.9-166.3 49.4 45.9 49.2 33.0 -9.2 16 20 A I < - 0 0 12 -5,-2.1 2,-0.4 -6,-0.3 39,-0.2 -0.420 12.0-173.9 -68.1 132.4 52.8 32.0 -9.5 17 21 A N E -A 54 0A 79 37,-2.2 37,-2.7 -2,-0.2 2,-0.5 -0.997 6.8-158.6-129.5 132.9 55.3 34.6 -10.9 18 22 A I E +A 53 0A 97 -2,-0.4 35,-0.2 35,-0.2 2,-0.2 -0.946 20.4 157.1-117.6 126.8 58.9 33.9 -11.7 19 23 A T E +A 52 0A 57 33,-2.7 33,-2.4 -2,-0.5 2,-0.1 -0.681 36.9 39.0-131.9-174.0 61.7 36.6 -11.9 20 24 A G E S-A 51 0A 48 31,-0.3 31,-0.3 -2,-0.2 2,-0.3 -0.388 71.7-117.2 70.8-146.6 65.4 37.0 -11.6 21 25 A G + 0 0 35 29,-2.2 3,-0.1 26,-0.2 2,-0.1 -0.969 52.0 84.3-178.3 170.5 67.8 34.4 -13.1 22 26 A G S S- 0 0 54 -2,-0.3 29,-0.1 1,-0.1 28,-0.1 -0.256 77.4 -77.1 105.8 165.9 70.4 31.8 -12.4 23 27 A E S S+ 0 0 197 -2,-0.1 2,-0.4 27,-0.1 -1,-0.1 0.852 103.7 83.3 -72.0 -38.4 70.6 28.2 -11.2 24 28 A K - 0 0 41 25,-0.3 27,-2.6 -3,-0.1 2,-0.4 -0.556 66.9-161.6 -74.3 124.4 69.8 28.9 -7.6 25 29 A T E -bc 51 95A 19 69,-0.6 71,-2.2 -2,-0.4 2,-0.4 -0.885 9.4-168.3-112.2 133.7 66.1 29.2 -6.9 26 30 A V E -bc 52 96A 0 25,-2.3 27,-2.5 -2,-0.4 2,-0.5 -0.949 9.0-152.2-116.4 144.1 64.3 30.7 -3.9 27 31 A L E -bc 53 97A 0 69,-2.7 71,-2.8 -2,-0.4 2,-0.5 -0.972 10.0-153.5-115.6 125.6 60.6 30.4 -3.1 28 32 A L E -bc 54 98A 0 25,-2.8 27,-0.6 -2,-0.5 2,-0.5 -0.881 7.5-166.5-105.7 126.8 59.0 33.2 -1.2 29 33 A A E - c 0 99A 1 69,-2.7 71,-2.4 -2,-0.5 74,-0.2 -0.933 13.3-138.6-119.8 119.3 55.9 32.5 0.9 30 34 A H - 0 0 0 -2,-0.5 2,-0.1 25,-0.5 6,-0.1 -0.023 17.0-117.3 -70.3 171.9 53.7 35.3 2.3 31 35 A G > - 0 0 0 1,-0.2 3,-1.6 4,-0.2 70,-0.1 -0.290 51.6 -44.9-101.1-173.0 52.1 35.6 5.8 32 36 A F T 3 S+ 0 0 16 1,-0.2 -1,-0.2 68,-0.1 3,-0.1 -0.210 122.0 1.2 -57.2 140.1 48.6 35.8 7.1 33 37 A G T 3 S+ 0 0 1 1,-0.2 -1,-0.2 -3,-0.1 2,-0.2 0.621 114.3 96.2 59.6 18.4 46.2 38.1 5.3 34 38 A C < - 0 0 2 -3,-1.6 27,-0.3 151,-0.1 2,-0.2 -0.454 56.1-146.5-118.3-169.5 48.8 39.1 2.7 35 39 A D > - 0 0 31 -2,-0.2 3,-1.8 25,-0.1 -4,-0.2 -0.866 43.6 -75.6-149.5-171.0 50.0 38.2 -0.8 36 40 A Q G > S+ 0 0 22 1,-0.3 3,-1.3 -2,-0.2 20,-0.1 0.640 115.2 75.7 -68.9 -14.1 53.1 38.0 -3.0 37 41 A N G > S+ 0 0 88 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.659 77.9 73.0 -71.6 -16.9 53.2 41.8 -3.3 38 42 A X G < S+ 0 0 5 -3,-1.8 3,-0.4 1,-0.2 -1,-0.3 0.536 88.0 64.9 -73.8 -5.3 54.5 42.2 0.2 39 43 A W G X> + 0 0 0 -3,-1.3 4,-2.2 1,-0.2 3,-1.4 0.419 69.7 101.3 -91.2 -0.1 57.8 40.9 -1.1 40 44 A R T <4 S+ 0 0 81 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.707 74.2 59.3 -67.7 -18.8 58.4 43.8 -3.4 41 45 A F T 34 S+ 0 0 79 -3,-0.4 -1,-0.3 214,-0.2 4,-0.2 0.793 116.1 33.5 -76.4 -28.8 60.9 45.5 -1.0 42 46 A X T X> S+ 0 0 1 -3,-1.4 4,-2.1 -4,-0.1 3,-0.6 0.713 96.8 85.6 -96.0 -27.1 63.2 42.4 -1.2 43 47 A L H 3X S+ 0 0 31 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.866 83.3 55.9 -45.1 -53.1 62.6 41.3 -4.8 44 48 A P H 3> S+ 0 0 66 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.886 112.7 40.6 -55.2 -43.1 65.2 43.6 -6.5 45 49 A E H X4 S+ 0 0 90 -3,-0.6 3,-1.0 -4,-0.2 4,-0.3 0.921 115.8 51.3 -70.1 -43.0 68.2 42.4 -4.4 46 50 A L H >X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 3,-1.5 0.873 104.5 57.7 -57.9 -40.4 67.0 38.8 -4.5 47 51 A E H 3< S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.3 -26,-0.2 0.664 96.0 64.2 -68.3 -16.8 66.7 38.9 -8.4 48 52 A K T << S+ 0 0 128 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.605 119.6 22.1 -77.8 -12.6 70.4 39.9 -8.7 49 53 A Q T <4 S+ 0 0 84 -3,-1.5 -25,-0.3 -4,-0.3 2,-0.2 0.652 122.4 30.8-123.0 -30.9 71.4 36.5 -7.3 50 54 A F S < S- 0 0 2 -4,-2.6 -29,-2.2 -5,-0.1 2,-0.7 -0.746 74.6-102.7-129.8 166.9 68.6 34.0 -7.7 51 55 A T E -Ab 20 25A 28 -27,-2.6 -25,-2.3 -31,-0.3 2,-0.5 -0.902 50.5-149.1 -82.6 119.9 65.7 32.9 -9.8 52 56 A V E -Ab 19 26A 0 -33,-2.4 -33,-2.7 -2,-0.7 2,-0.5 -0.846 15.6-169.2-104.3 125.4 62.9 34.2 -7.6 53 57 A I E +Ab 18 27A 3 -27,-2.5 -25,-2.8 -2,-0.5 2,-0.3 -0.939 7.6 177.8-113.8 121.2 59.5 32.5 -7.3 54 58 A V E +Ab 17 28A 10 -37,-2.7 -37,-2.2 -2,-0.5 2,-0.3 -0.806 5.0 167.0-114.2 161.9 56.5 34.1 -5.7 55 59 A F - 0 0 0 -27,-0.6 -25,-0.5 -2,-0.3 2,-0.4 -0.976 32.1-115.5-162.2 167.4 52.9 32.9 -5.3 56 60 A D - 0 0 2 -42,-3.5 3,-0.1 -2,-0.3 -21,-0.1 -0.961 34.1-117.7-113.4 129.0 49.6 33.4 -3.5 57 61 A Y > - 0 0 0 -2,-0.4 3,-3.3 1,-0.1 6,-0.3 -0.348 50.5 -85.6 -59.0 143.0 48.2 30.7 -1.1 58 62 A V T 3 S+ 0 0 0 1,-0.3 -1,-0.1 21,-0.1 11,-0.1 -0.349 123.9 24.6 -55.2 126.7 44.9 29.4 -2.5 59 63 A G T 3 S+ 0 0 4 1,-0.4 130,-0.5 -3,-0.1 -1,-0.3 0.060 107.5 100.3 102.5 -22.7 42.3 31.9 -1.1 60 64 A S S X S- 0 0 0 -3,-3.3 3,-2.3 128,-0.1 -1,-0.4 -0.674 88.3 -32.2 -98.8 151.1 44.9 34.7 -0.8 61 65 A G T 3 S- 0 0 28 -27,-0.3 -26,-0.1 -2,-0.3 -46,-0.1 -0.146 124.2 -18.0 49.9-122.4 45.5 37.6 -3.2 62 66 A Q T 3 S+ 0 0 147 -48,-0.1 -1,-0.3 -47,-0.1 -47,-0.2 0.061 98.4 128.9-108.4 23.5 44.9 36.7 -6.8 63 67 A S S < S- 0 0 13 -3,-2.3 2,-0.8 -6,-0.3 -49,-0.2 -0.237 74.9 -86.2 -64.5 166.1 45.0 32.9 -6.4 64 68 A D > - 0 0 68 -51,-2.2 3,-1.7 -52,-0.2 4,-0.2 -0.702 33.1-163.1 -83.0 111.2 42.1 30.9 -7.8 65 69 A L G > S+ 0 0 68 -2,-0.8 3,-1.9 1,-0.3 -1,-0.2 0.725 83.7 77.4 -65.1 -22.6 39.3 30.8 -5.1 66 70 A E G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.785 94.1 52.1 -57.8 -25.8 37.7 27.9 -7.1 67 71 A S G < S+ 0 0 42 -3,-1.7 -1,-0.3 -54,-0.1 -2,-0.2 0.570 88.5 107.3 -86.5 -8.7 40.5 25.8 -5.5 68 72 A F < + 0 0 1 -3,-1.9 2,-0.3 -4,-0.2 452,-0.1 -0.459 41.2 174.9 -76.8 140.0 39.7 27.0 -1.9 69 73 A S > - 0 0 10 -2,-0.2 4,-1.9 -11,-0.1 424,-0.2 -0.998 34.5-141.6-140.1 140.5 38.0 24.7 0.7 70 74 A T T 4 S+ 0 0 12 422,-1.8 423,-0.1 -2,-0.3 -1,-0.1 0.674 104.5 55.6 -70.7 -16.1 37.3 25.2 4.4 71 75 A K T >4 S+ 0 0 106 421,-0.4 3,-1.7 2,-0.1 4,-0.3 0.976 113.2 33.9 -78.6 -65.9 38.2 21.6 4.9 72 76 A R G >4 S+ 0 0 62 1,-0.3 3,-0.8 2,-0.1 6,-0.4 0.891 123.1 46.8 -54.2 -44.4 41.7 21.5 3.4 73 77 A Y G 3< S+ 0 0 3 -4,-1.9 -1,-0.3 1,-0.2 126,-0.2 0.107 81.5 99.5 -93.3 25.8 42.6 25.0 4.5 74 78 A S G < S+ 0 0 67 -3,-1.7 2,-0.3 124,-0.1 -1,-0.2 0.704 92.7 23.1 -77.1 -23.8 41.3 24.6 8.1 75 79 A S S X> S- 0 0 38 -3,-0.8 3,-1.6 -4,-0.3 4,-0.7 -0.910 91.2-100.0-138.0 166.7 44.9 24.0 9.3 76 80 A L H 3> S+ 0 0 2 123,-0.3 4,-2.4 -2,-0.3 5,-0.1 0.619 111.2 75.9 -64.2 -14.8 48.4 24.9 8.1 77 81 A E H 3> S+ 0 0 86 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.809 93.8 51.8 -66.2 -27.9 48.8 21.3 6.7 78 82 A G H <> S+ 0 0 3 -3,-1.6 4,-1.0 -6,-0.4 -1,-0.2 0.834 109.0 49.6 -76.6 -34.3 46.6 22.4 3.8 79 83 A Y H X S+ 0 0 0 -4,-0.7 4,-1.4 2,-0.2 3,-0.4 0.901 108.0 53.5 -66.5 -42.1 48.8 25.4 3.2 80 84 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.901 101.8 59.5 -59.2 -41.0 51.9 23.2 3.3 81 85 A K H X S+ 0 0 95 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.863 100.1 57.7 -52.3 -38.8 50.2 21.1 0.6 82 86 A D H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.2 0.943 110.8 41.4 -54.4 -49.8 50.2 24.2 -1.5 83 87 A V H X S+ 0 0 1 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.928 114.1 50.6 -66.5 -48.9 54.0 24.5 -1.2 84 88 A E H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.827 111.7 49.8 -56.6 -37.3 54.6 20.7 -1.7 85 89 A E H X S+ 0 0 5 -4,-2.1 4,-2.2 -5,-0.3 -80,-0.4 0.828 110.0 49.1 -75.3 -34.4 52.4 20.8 -4.8 86 90 A I H X S+ 0 0 0 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.897 114.5 45.9 -69.6 -41.5 54.2 23.8 -6.4 87 91 A L H <>S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 -2,-0.2 0.876 117.3 42.8 -68.9 -42.2 57.6 22.2 -5.7 88 92 A V H ><5S+ 0 0 21 -4,-2.0 3,-0.7 3,-0.2 -2,-0.2 0.940 115.9 48.8 -66.8 -47.1 56.6 18.8 -7.1 89 93 A A H 3<5S+ 0 0 6 -4,-2.2 -82,-0.3 1,-0.3 -2,-0.2 0.811 116.0 40.6 -68.3 -34.8 54.7 20.2 -10.1 90 94 A L T 3<5S- 0 0 22 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.461 107.0-132.6 -87.6 -1.6 57.5 22.5 -11.2 91 95 A D T < 5 + 0 0 97 -3,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.907 42.6 174.2 48.8 48.6 59.9 19.7 -10.3 92 96 A L < - 0 0 30 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.607 11.3-174.7 -85.2 145.0 62.1 22.1 -8.4 93 97 A V + 0 0 94 -2,-0.3 -68,-0.2 1,-0.2 24,-0.2 -0.959 61.0 25.1-135.4 154.9 65.1 20.9 -6.4 94 98 A N S S+ 0 0 104 22,-0.3 -69,-0.6 -2,-0.3 2,-0.4 0.928 80.2 170.4 60.2 47.3 67.5 22.6 -4.1 95 99 A V E -cd 25 118A 0 22,-2.8 24,-2.6 -3,-0.1 25,-1.0 -0.754 29.9-146.6 -94.8 133.0 65.1 25.4 -3.3 96 100 A S E -cd 26 120A 0 -71,-2.2 -69,-2.7 -2,-0.4 2,-0.5 -0.886 18.4-150.4 -93.4 124.8 65.7 27.9 -0.6 97 101 A I E -cd 27 121A 1 23,-2.5 25,-3.5 -2,-0.6 2,-0.6 -0.863 10.3-166.6-101.3 128.4 62.4 28.9 1.0 98 102 A I E -cd 28 122A 0 -71,-2.8 -69,-2.7 -2,-0.5 2,-0.4 -0.955 16.6-173.6-109.8 112.8 62.0 32.3 2.5 99 103 A G E -cd 29 123A 0 23,-3.4 25,-3.1 -2,-0.6 2,-0.5 -0.891 19.4-142.0-114.2 141.0 58.9 32.5 4.7 100 104 A H E > - d 0 124A 4 -71,-2.4 3,-2.5 -2,-0.4 25,-0.2 -0.845 61.3 -56.4 -95.3 126.0 57.1 35.4 6.5 101 105 A S T >> S+ 0 0 10 23,-3.3 3,-2.5 -2,-0.5 4,-0.6 -0.178 134.4 20.5 54.0-116.4 55.6 34.7 9.9 102 106 A V H >> S+ 0 0 7 1,-0.3 4,-2.1 2,-0.2 3,-1.0 0.809 117.1 68.2 -56.4 -30.6 53.2 31.8 9.6 103 107 A S H <> S+ 0 0 0 -3,-2.5 4,-2.4 1,-0.3 -1,-0.3 0.681 87.9 68.5 -66.2 -12.3 54.9 30.7 6.4 104 108 A S H <> S+ 0 0 0 -3,-2.5 4,-1.0 2,-0.2 -1,-0.3 0.898 106.6 37.8 -67.4 -41.5 57.8 29.8 8.6 105 109 A I H < S+ 0 0 4 -4,-2.1 3,-1.3 1,-0.2 4,-0.4 0.922 111.2 51.0 -60.0 -46.6 55.6 21.2 7.5 110 114 A A H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 3,-1.3 0.846 102.2 60.9 -61.5 -33.5 56.3 21.0 3.8 111 115 A S H 3X S+ 0 0 6 -4,-1.6 4,-0.5 1,-0.3 -1,-0.3 0.665 97.5 59.5 -69.8 -16.4 60.0 20.1 4.6 112 116 A T H << S+ 0 0 65 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.592 115.7 33.3 -83.6 -12.5 58.8 17.0 6.4 113 117 A H H <4 S+ 0 0 99 -3,-1.3 -2,-0.2 -4,-0.4 -3,-0.1 0.716 137.1 18.2-113.0 -35.7 57.1 15.7 3.3 114 118 A V H >< S+ 0 0 6 -4,-2.6 3,-2.6 1,-0.1 4,-0.4 -0.095 72.7 142.0-129.7 36.5 59.3 16.9 0.4 115 119 A G G >< + 0 0 27 -4,-0.5 3,-1.1 1,-0.3 -4,-0.1 0.733 63.7 74.1 -48.4 -25.9 62.5 17.7 2.3 116 120 A D G 3 S+ 0 0 132 1,-0.3 -22,-0.3 -3,-0.1 -1,-0.3 0.509 97.8 44.4 -70.7 -6.5 64.4 16.4 -0.7 117 121 A R G < S+ 0 0 46 -3,-2.6 -22,-2.8 -24,-0.2 2,-0.5 0.442 101.0 79.5-114.6 -4.1 63.6 19.5 -2.8 118 122 A I E < -d 95 0A 13 -3,-1.1 -22,-0.2 -4,-0.4 3,-0.1 -0.910 48.4-177.6-112.7 124.4 64.3 22.1 -0.1 119 123 A S E - 0 0 22 -24,-2.6 2,-0.3 -2,-0.5 -23,-0.2 0.849 69.5 -23.8 -87.4 -35.0 67.9 23.1 0.8 120 124 A D E -d 96 0A 1 -25,-1.0 -23,-2.5 94,-0.1 2,-0.4 -0.977 54.5-126.5-165.1 166.2 67.0 25.5 3.6 121 125 A I E -de 97 216A 0 94,-2.4 96,-3.0 -2,-0.3 2,-0.5 -0.992 9.0-157.2-125.3 135.8 64.3 27.7 5.2 122 126 A T E -de 98 217A 0 -25,-3.5 -23,-3.4 -2,-0.4 2,-0.7 -0.962 14.1-159.5-107.7 125.5 64.6 31.4 6.2 123 127 A X E -de 99 218A 1 94,-3.9 96,-2.9 -2,-0.5 2,-0.7 -0.890 2.7-161.3-113.6 109.7 62.0 32.3 8.8 124 128 A I E S-de 100 219A 0 -25,-3.1 -23,-3.3 -2,-0.7 -20,-0.2 -0.789 75.9 -22.8 -95.2 111.7 61.1 36.0 9.1 125 129 A C S S- 0 0 0 94,-2.3 -1,-0.3 -2,-0.7 95,-0.1 0.964 91.7-177.8 53.6 61.9 59.4 36.8 12.5 126 130 A P - 0 0 0 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 -0.353 19.3-174.6 -85.5 164.3 58.2 33.2 13.1 127 131 A S - 0 0 7 -26,-0.3 -22,-0.2 -2,-0.1 3,-0.1 -0.893 19.5-159.1-153.1 133.5 56.2 31.7 16.0 128 132 A P S S+ 0 0 3 0, 0.0 77,-2.5 0, 0.0 2,-0.3 0.723 86.2 0.7 -77.5 -19.0 55.3 28.1 16.6 129 133 A C B -G 204 0B 1 75,-0.2 75,-0.1 76,-0.1 72,-0.1 -0.889 51.0-155.9-174.1 130.6 52.4 29.1 18.8 130 134 A F S S+ 0 0 7 73,-0.5 11,-1.5 -2,-0.3 2,-0.1 0.604 71.8 86.6 -92.9 -14.7 50.8 32.3 20.0 131 135 A X B S-h 141 0C 9 72,-0.4 8,-1.0 8,-0.2 2,-0.4 -0.354 79.9-106.5 -84.3 168.5 49.2 30.9 23.1 132 136 A N E +I 138 0D 50 9,-0.6 6,-0.2 6,-0.2 11,-0.1 -0.777 30.9 171.7-102.2 136.4 50.8 30.6 26.6 133 137 A F E > -I 137 0D 81 4,-3.9 4,-1.2 -2,-0.4 3,-0.3 -0.552 46.4-126.1-135.4 67.7 51.9 27.4 28.3 134 138 A P T 4 S+ 0 0 95 0, 0.0 4,-0.1 0, 0.0 -2,-0.0 -0.208 71.3 14.2 -67.5 155.5 53.7 28.8 31.3 135 139 A P T 4 S+ 0 0 111 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.948 133.2 34.1 -84.0 -15.2 56.1 28.8 32.7 136 140 A D T 4 S+ 0 0 142 -3,-0.3 2,-0.3 1,-0.2 -4,-0.0 0.541 123.2 32.5 -82.8 -9.5 58.1 27.2 29.9 137 141 A Y E < +I 133 0D 7 -4,-1.2 -4,-3.9 97,-0.0 2,-0.5 -0.909 55.4 177.0-146.3 123.0 56.4 28.7 26.9 138 142 A V E -I 132 0D 76 -2,-0.3 90,-0.2 -6,-0.2 -6,-0.2 -0.887 4.8-179.5-123.3 98.7 54.8 32.1 26.7 139 143 A G - 0 0 2 -8,-1.0 89,-0.2 -2,-0.5 -7,-0.2 0.778 48.4-120.1 -68.4 -25.7 53.5 32.8 23.2 140 144 A G S S+ 0 0 48 1,-0.2 2,-0.5 -3,-0.1 -9,-0.2 0.346 80.2 97.6 108.3 -2.1 52.4 36.2 24.5 141 145 A F B -h 131 0C 28 -11,-1.5 -9,-0.6 85,-0.1 -2,-0.2 -0.968 63.8-139.2-127.9 120.5 48.7 35.9 23.9 142 146 A E >> - 0 0 114 -2,-0.5 4,-2.0 -11,-0.2 3,-0.6 -0.468 24.1-121.0 -73.5 146.3 46.1 35.0 26.5 143 147 A R H 3> S+ 0 0 166 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.851 114.1 57.3 -54.0 -35.8 43.3 32.7 25.3 144 148 A D H 3> S+ 0 0 105 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.844 107.3 45.9 -66.1 -37.3 40.9 35.4 26.3 145 149 A D H <> S+ 0 0 76 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.831 113.3 49.4 -74.3 -35.3 42.5 38.0 24.1 146 150 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.902 108.8 52.6 -70.1 -41.4 42.7 35.5 21.2 147 151 A E H X S+ 0 0 90 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.920 109.8 50.3 -55.7 -45.6 39.0 34.6 21.6 148 152 A E H X S+ 0 0 136 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.768 109.5 51.2 -64.0 -31.7 38.2 38.4 21.5 149 153 A L H X S+ 0 0 14 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.950 111.6 44.2 -72.4 -53.0 40.2 38.8 18.3 150 154 A I H < S+ 0 0 17 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.865 115.3 50.6 -59.4 -37.3 38.6 36.0 16.4 151 155 A N H >X S+ 0 0 54 -4,-2.1 4,-2.0 -5,-0.3 3,-0.8 0.795 101.1 60.7 -71.5 -30.5 35.2 37.2 17.6 152 156 A L H 3X S+ 0 0 49 -4,-1.2 4,-3.0 1,-0.2 8,-0.4 0.845 96.0 63.5 -65.1 -32.1 35.8 40.8 16.6 153 157 A X H 3< S+ 0 0 2 -4,-1.3 -1,-0.2 1,-0.2 4,-0.2 0.793 107.9 41.9 -57.6 -31.7 36.1 39.4 13.1 154 158 A D H <4 S+ 0 0 4 -3,-0.8 127,-2.5 -4,-0.5 3,-0.2 0.859 120.0 40.9 -82.1 -42.7 32.4 38.3 13.4 155 159 A K H < S+ 0 0 146 -4,-2.0 2,-0.2 1,-0.2 -2,-0.2 0.932 135.6 1.0 -72.8 -46.1 31.1 41.5 15.0 156 160 A N X - 0 0 56 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 -0.711 57.0-177.6-154.0 85.8 33.1 44.2 13.1 157 161 A Y H > S+ 0 0 3 1,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.914 89.9 49.7 -58.3 -48.6 35.4 43.2 10.3 158 162 A I H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 112.2 50.5 -57.2 -41.1 36.6 46.7 9.5 159 163 A G H > S+ 0 0 18 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.909 107.8 53.0 -60.2 -44.0 37.2 47.1 13.2 160 164 A W H X S+ 0 0 0 -4,-2.6 4,-2.6 -8,-0.4 5,-0.2 0.919 109.8 47.5 -58.5 -46.5 39.2 43.8 13.3 161 165 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.923 109.3 53.3 -61.7 -45.2 41.5 45.0 10.5 162 166 A N H < S+ 0 0 123 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.779 114.8 43.1 -61.2 -29.1 42.0 48.4 12.1 163 167 A Y H X S+ 0 0 119 -4,-1.5 4,-0.8 -3,-0.2 -2,-0.2 0.908 117.6 41.3 -81.8 -45.2 43.1 46.6 15.3 164 168 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.811 101.2 68.1 -80.4 -30.1 45.3 43.9 13.9 165 169 A A H X S+ 0 0 1 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.923 106.0 39.9 -56.7 -50.3 47.2 45.8 11.1 166 170 A P H > S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.820 112.5 58.6 -69.7 -28.2 49.2 48.0 13.6 167 171 A L H < S+ 0 0 32 -4,-0.8 58,-0.3 3,-0.2 59,-0.3 0.941 116.1 33.1 -62.1 -48.3 49.7 45.0 15.9 168 172 A V H < S+ 0 0 13 -4,-2.5 84,-3.2 1,-0.2 85,-0.3 0.911 125.2 41.9 -75.6 -45.6 51.4 43.0 13.1 169 173 A X H < S- 0 0 0 -4,-2.9 84,-0.4 -5,-0.3 -2,-0.2 0.838 117.4-107.7 -73.9 -30.4 53.1 45.9 11.3 170 174 A G >< - 0 0 6 -4,-2.2 3,-2.0 -5,-0.3 -3,-0.2 0.448 17.6-115.8 97.3 117.8 54.2 47.6 14.6 171 175 A A T 3 S+ 0 0 82 1,-0.3 -4,-0.1 -5,-0.2 -1,-0.1 0.649 108.3 68.6 -61.7 -18.9 52.4 50.8 15.6 172 176 A S T 3 S+ 0 0 89 -6,-0.1 -1,-0.3 -3,-0.0 -2,-0.1 0.548 87.4 92.1 -77.6 -5.6 55.6 52.9 15.3 173 177 A H S < S- 0 0 49 -3,-2.0 -3,-0.1 1,-0.2 -4,-0.0 -0.241 84.7 -70.5 -93.9 175.5 55.5 52.5 11.5 174 178 A S > - 0 0 52 1,-0.1 4,-3.0 4,-0.1 5,-0.3 -0.213 29.1-126.5 -70.7 151.5 54.1 54.6 8.7 175 179 A S H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.831 112.6 60.6 -58.9 -35.8 50.4 54.9 7.8 176 180 A E H > S+ 0 0 129 2,-0.2 4,-1.3 3,-0.2 -1,-0.2 0.931 112.7 37.0 -55.3 -47.1 51.3 53.9 4.3 177 181 A L H > S+ 0 0 21 2,-0.2 4,-1.6 -3,-0.2 3,-0.3 0.959 119.6 44.0 -74.0 -54.6 52.6 50.5 5.7 178 182 A I H >X S+ 0 0 33 -4,-3.0 4,-2.1 1,-0.2 3,-0.7 0.963 115.9 51.3 -55.6 -48.3 50.1 49.9 8.4 179 183 A G H 3X S+ 0 0 34 -4,-2.5 4,-1.9 -5,-0.3 -1,-0.2 0.782 103.0 58.2 -59.7 -32.6 47.3 51.0 6.0 180 184 A E H 3X S+ 0 0 42 -4,-1.3 4,-1.6 -3,-0.3 -1,-0.3 0.861 108.4 47.1 -64.6 -35.7 48.6 48.6 3.3 181 185 A L H < S+ 0 0 1 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.925 112.5 48.9 -48.6 -49.1 43.0 42.2 5.4 186 190 A C H 3< S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.801 110.6 47.2 -66.4 -35.9 39.9 44.0 4.0 187 191 A T H 3< S+ 0 0 121 -4,-1.9 2,-0.4 -3,-0.1 -1,-0.2 0.444 90.4 99.9 -89.0 -1.3 40.1 42.7 0.4 188 192 A T S << S- 0 0 14 -3,-0.8 -128,-0.1 -4,-0.7 5,-0.1 -0.705 92.2 -95.3 -86.2 134.5 40.7 39.1 1.5 189 193 A D > - 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