==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-08 3ESA . COMPND 2 MOLECULE: CUTINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM SOLANI F. PISI; . AUTHOR L.RUTTEN,J.P.B.A.MANNIE,M.LUTZ,P.GROS . 394 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16068.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 273 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.8 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 3 0 0 0 0 0 0 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 2 4 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 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 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 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 17 A R 0 0 182 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.3 -11.1 -13.9 28.9 2 18 A T + 0 0 43 1,-0.1 30,-2.7 30,-0.1 29,-1.4 0.469 360.0 67.3 -87.6 -4.4 -7.9 -14.8 30.8 3 19 A T + 0 0 79 27,-0.3 2,-0.5 28,-0.2 -1,-0.1 -0.949 62.4 168.9-114.2 112.3 -6.3 -16.3 27.7 4 20 A R + 0 0 41 -2,-0.5 52,-2.0 1,-0.1 3,-0.1 -0.976 15.2 166.9-123.8 128.8 -5.5 -13.9 24.9 5 21 A D B > +A 55 0A 49 -2,-0.5 4,-3.0 50,-0.2 5,-0.2 -0.208 27.4 137.3-126.1 43.6 -3.5 -14.8 21.8 6 22 A D T 4 S+ 0 0 41 48,-2.1 49,-0.2 1,-0.2 -1,-0.1 0.850 76.6 44.0 -60.0 -42.8 -4.3 -11.8 19.5 7 23 A L T >4 S+ 0 0 0 47,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.964 115.3 46.6 -65.3 -56.2 -0.7 -11.4 18.4 8 24 A I T 34 S+ 0 0 72 1,-0.3 -2,-0.2 3,-0.0 -1,-0.1 0.915 118.6 41.3 -54.1 -49.1 -0.0 -15.1 17.8 9 25 A N T 3< S+ 0 0 129 -4,-3.0 -1,-0.3 2,-0.0 -2,-0.2 0.479 102.5 99.0 -79.3 -0.4 -3.3 -15.5 15.9 10 26 A G < - 0 0 10 -3,-1.2 2,-0.3 -5,-0.2 5,-0.1 -0.512 59.4-156.0 -81.9 154.1 -2.6 -12.2 14.2 11 27 A N > - 0 0 88 3,-0.3 3,-2.1 -2,-0.2 -2,-0.0 -0.952 28.0-117.2-132.0 155.4 -1.1 -11.9 10.7 12 28 A S G > S+ 0 0 90 -2,-0.3 3,-0.5 1,-0.3 -1,-0.0 0.686 110.2 67.4 -62.7 -22.1 0.9 -9.2 8.9 13 29 A A G 3 S+ 0 0 94 1,-0.2 -1,-0.3 80,-0.0 80,-0.0 0.625 114.7 26.2 -70.5 -15.7 -2.0 -8.8 6.3 14 30 A S G < S+ 0 0 88 -3,-2.1 -3,-0.3 2,-0.0 -1,-0.2 -0.423 83.5 176.0-151.6 70.9 -4.2 -7.4 9.0 15 31 A a < - 0 0 49 -3,-0.5 2,-0.2 77,-0.1 -3,-0.1 -0.428 27.1-127.7 -82.0 145.7 -2.3 -5.7 11.9 16 32 A A - 0 0 3 -2,-0.1 35,-0.2 1,-0.1 36,-0.2 -0.599 19.7-129.2 -78.7 153.5 -3.6 -3.8 14.9 17 33 A D S S+ 0 0 85 34,-0.4 80,-3.0 -2,-0.2 2,-0.3 0.675 94.0 38.5 -73.4 -21.3 -2.1 -0.3 15.5 18 34 A V E -bc 52 97A 1 33,-0.6 35,-2.2 78,-0.2 2,-0.4 -0.964 67.0-163.2-134.0 141.7 -1.2 -1.1 19.1 19 35 A I E -bc 53 98A 0 78,-2.4 80,-2.5 -2,-0.3 2,-0.6 -0.987 3.2-163.9-134.6 124.9 0.1 -4.4 20.6 20 36 A F E -bc 54 99A 0 33,-3.0 35,-2.9 -2,-0.4 2,-0.5 -0.942 4.0-172.0-114.7 111.8 -0.1 -5.1 24.3 21 37 A I E -bc 55 100A 0 78,-2.2 80,-0.8 -2,-0.6 2,-0.4 -0.903 14.2-176.3-103.3 128.5 2.1 -7.9 25.6 22 38 A Y E -bc 56 101A 0 33,-2.7 35,-2.6 -2,-0.5 2,-0.4 -0.985 18.6-150.3-137.1 144.0 1.5 -8.8 29.3 23 39 A A E - c 0 102A 0 78,-2.4 80,-1.2 -2,-0.4 83,-0.1 -0.889 18.0-141.0-117.5 134.4 2.9 -11.2 31.8 24 40 A R - 0 0 26 -2,-0.4 2,-0.2 33,-0.4 85,-0.1 -0.350 20.5 -99.8 -90.2 168.5 1.0 -12.7 34.7 25 41 A G > - 0 0 2 80,-0.2 3,-2.2 1,-0.2 79,-0.1 -0.490 59.0 -63.9 -84.6 160.3 1.8 -13.4 38.3 26 42 A S T 3 S+ 0 0 16 1,-0.3 38,-0.2 -2,-0.2 -1,-0.2 -0.105 118.5 0.8 -44.0 127.5 2.8 -16.8 39.7 27 43 A T T 3 S+ 0 0 106 36,-2.5 -1,-0.3 35,-0.3 37,-0.1 0.467 92.1 147.9 69.1 8.7 0.1 -19.5 39.4 28 44 A E < - 0 0 29 -3,-2.2 -1,-0.2 35,-0.2 2,-0.1 -0.406 52.2-101.2 -74.4 150.0 -2.4 -17.2 37.7 29 45 A T S > S- 0 0 93 -2,-0.1 4,-2.2 3,-0.1 3,-0.5 -0.437 77.0 -14.9 -74.4 144.2 -4.8 -18.7 35.2 30 46 A G T 4 S- 0 0 32 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.349 104.6 -58.2 77.0-149.6 -4.2 -18.5 31.4 31 47 A N T 4 S+ 0 0 5 -29,-1.4 26,-0.6 2,-0.1 -1,-0.2 0.401 135.0 45.7-106.5 -0.5 -1.8 -16.0 30.0 32 48 A L T > S- 0 0 0 -30,-2.7 4,-1.7 -3,-0.5 3,-0.5 0.724 79.0-173.1-113.2 -25.5 -3.5 -13.0 31.6 33 49 A G T < - 0 0 2 -4,-2.2 -2,-0.1 -31,-0.6 -1,-0.1 -0.224 57.9 -35.3 66.8-154.6 -4.3 -13.9 35.2 34 50 A T T 4 S+ 0 0 94 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.735 138.7 35.5 -76.5 -29.2 -6.4 -11.5 37.4 35 51 A L T > S+ 0 0 8 -3,-0.5 4,-1.8 2,-0.1 3,-0.2 0.773 98.6 74.7-100.8 -24.5 -5.2 -8.1 36.1 36 52 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 5,-0.1 0.880 93.2 52.4 -54.9 -51.4 -4.7 -8.7 32.4 37 53 A P H > S+ 0 0 6 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.873 108.4 48.7 -55.9 -47.2 -8.3 -8.8 31.3 38 54 A S H > S+ 0 0 14 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.895 113.8 47.4 -62.6 -44.3 -9.3 -5.5 33.0 39 55 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.940 114.8 46.7 -56.8 -46.7 -6.4 -3.7 31.4 40 56 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.858 108.4 54.0 -68.3 -37.4 -7.2 -5.3 28.1 41 57 A S H X S+ 0 0 57 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.894 110.6 47.9 -61.9 -41.5 -11.0 -4.5 28.2 42 58 A N H X S+ 0 0 47 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.925 110.1 50.7 -67.1 -53.3 -10.2 -0.8 28.8 43 59 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.4 0.898 109.2 51.7 -44.2 -47.1 -7.6 -0.6 26.0 44 60 A E H X S+ 0 0 25 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.878 107.0 54.8 -65.6 -34.5 -10.2 -2.1 23.6 45 61 A S H < S+ 0 0 103 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.874 113.2 41.8 -60.3 -39.9 -12.5 0.6 24.8 46 62 A A H < S+ 0 0 29 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.1 0.956 131.1 20.6 -72.0 -52.1 -9.9 3.3 23.9 47 63 A F H < S- 0 0 46 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.482 109.6-108.4-101.1 -6.1 -8.7 1.9 20.5 48 64 A G >< - 0 0 33 -4,-1.9 3,-2.0 -5,-0.4 4,-0.5 0.183 35.8 -81.1 84.6 149.3 -11.6 -0.4 19.4 49 65 A K G > S+ 0 0 122 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.887 134.6 40.9 -48.5 -47.8 -11.6 -4.2 19.3 50 66 A D G 3 S+ 0 0 151 1,-0.2 -1,-0.3 -6,-0.1 -33,-0.2 0.404 106.0 69.0 -85.0 2.1 -9.7 -4.2 15.9 51 67 A G G < S+ 0 0 8 -3,-2.0 -33,-0.6 -35,-0.2 -34,-0.4 0.485 101.9 36.7 -98.3 -7.7 -7.4 -1.3 17.0 52 68 A V E < - b 0 18A 0 -3,-0.7 2,-0.5 -4,-0.5 -33,-0.2 -0.994 65.5-143.5-151.3 131.7 -5.4 -3.2 19.7 53 69 A W E - b 0 19A 29 -35,-2.2 -33,-3.0 -2,-0.3 2,-0.5 -0.911 14.8-152.8 -97.9 135.8 -4.0 -6.8 20.0 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-2.1 -35,-0.2 2,-0.4 -0.916 17.9 176.4-108.8 124.6 -3.9 -8.3 23.5 55 71 A Q E -Ab 5 21A 1 -35,-2.9 -33,-2.7 -2,-0.5 2,-0.2 -0.919 15.4-159.0-139.2 111.5 -1.3 -10.9 24.1 56 72 A G E - b 0 22A 0 -52,-2.0 2,-1.1 -2,-0.4 -33,-0.2 -0.533 32.8-111.5 -75.8 150.6 -0.5 -12.7 27.3 57 73 A V + 0 0 0 -35,-2.6 -33,-0.4 -26,-0.6 25,-0.1 -0.757 60.5 145.5 -83.3 103.3 2.9 -14.3 27.8 58 74 A G > + 0 0 14 -2,-1.1 3,-2.5 23,-0.1 5,-0.1 0.142 30.4 65.5-104.5-131.8 2.1 -18.0 27.7 59 75 A G T 3 S+ 0 0 67 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.219 117.4 10.5 55.2-122.8 4.2 -20.9 26.3 60 76 A A T 3 S+ 0 0 43 17,-0.2 2,-1.1 1,-0.1 18,-0.3 0.571 106.6 98.9 -63.7 -12.5 7.4 -21.4 28.2 61 77 A Y < + 0 0 3 -3,-2.5 -37,-0.1 1,-0.2 -1,-0.1 -0.698 41.4 165.5 -81.3 98.4 6.2 -19.0 30.9 62 78 A R - 0 0 195 -2,-1.1 -35,-0.3 2,-0.0 -1,-0.2 0.570 37.7-139.3 -90.2 -12.0 4.9 -21.4 33.6 63 79 A A - 0 0 1 1,-0.2 -36,-2.5 -37,-0.1 2,-0.2 0.918 33.3-179.8 47.0 57.0 4.8 -18.7 36.3 64 80 A T > - 0 0 63 -38,-0.2 3,-0.6 1,-0.1 4,-0.3 -0.598 32.8-132.2 -87.4 146.1 6.1 -21.0 39.0 65 81 A L G > S+ 0 0 41 1,-0.2 3,-1.1 -2,-0.2 4,-0.3 0.803 104.5 57.4 -73.8 -30.3 6.6 -19.7 42.5 66 82 A G G > S+ 0 0 31 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.734 93.2 71.6 -70.7 -21.7 10.2 -21.0 42.9 67 83 A D G X S+ 0 0 39 -3,-0.6 3,-0.8 1,-0.3 -1,-0.2 0.655 81.9 69.8 -73.0 -16.4 11.2 -19.1 39.9 68 84 A N G < S+ 0 0 11 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.775 92.6 60.5 -64.6 -27.7 10.9 -15.8 41.8 69 85 A A G < S+ 0 0 67 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.547 82.7 103.7 -82.7 -9.9 14.0 -16.9 43.8 70 86 A L S X S- 0 0 71 -3,-0.8 3,-2.4 -4,-0.2 5,-0.0 -0.401 92.7 -92.1 -69.8 152.8 16.1 -17.0 40.6 71 87 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.644 124.5 28.5 -35.8 -43.7 18.7 -14.1 40.0 72 88 A R T 3 S- 0 0 77 2,-0.5 40,-0.1 37,-0.0 3,-0.1 0.280 118.7-102.9-111.1 6.2 16.4 -11.9 37.8 73 89 A G S < S+ 0 0 0 -3,-2.4 2,-0.3 1,-0.2 36,-0.2 0.539 94.9 48.9 91.1 12.1 13.2 -13.1 39.5 74 90 A T S S- 0 0 6 34,-0.1 -2,-0.5 -6,-0.1 -1,-0.2 -0.935 90.2 -81.5-164.3 173.5 12.0 -15.4 36.7 75 91 A S > - 0 0 19 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.380 28.6-124.9 -83.0 166.7 13.3 -18.2 34.5 76 92 A S H > S+ 0 0 78 2,-0.2 4,-3.0 1,-0.1 5,-0.2 0.824 112.7 60.1 -75.7 -34.0 15.3 -17.8 31.3 77 93 A A H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 -17,-0.2 0.974 106.6 47.2 -51.4 -55.5 12.8 -19.9 29.4 78 94 A A H > S+ 0 0 0 -18,-0.3 4,-2.7 1,-0.2 5,-0.2 0.884 112.7 48.7 -52.7 -48.0 10.2 -17.2 30.4 79 95 A I H X S+ 0 0 12 -4,-1.6 4,-2.5 2,-0.2 -1,-0.2 0.907 110.7 49.9 -61.2 -44.8 12.5 -14.3 29.3 80 96 A R H X S+ 0 0 164 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.930 112.0 51.4 -59.8 -41.7 13.2 -16.0 26.0 81 97 A E H >X S+ 0 0 58 -4,-2.6 4,-1.3 -5,-0.2 3,-0.5 0.979 111.5 42.8 -57.9 -63.4 9.5 -16.4 25.6 82 98 A M H 3X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.3 3,-0.4 0.874 113.3 53.6 -53.3 -45.3 8.5 -12.8 26.2 83 99 A L H 3X S+ 0 0 29 -4,-2.5 4,-2.3 1,-0.2 -1,-0.3 0.876 105.6 55.1 -53.1 -41.6 11.4 -11.5 24.1 84 100 A G H < + 0 0 4 -4,-2.5 3,-1.6 -5,-0.3 -1,-0.3 -0.664 65.8 171.4-135.3 79.5 3.5 -5.4 12.5 94 110 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.677 81.6 53.4 -70.1 -16.5 6.5 -3.0 12.2 95 111 A D T 3 S+ 0 0 142 2,-0.1 -5,-0.1 -77,-0.0 2,-0.0 0.507 87.6 112.1 -89.3 -9.0 4.3 0.1 12.3 96 112 A A < - 0 0 7 -3,-1.6 2,-0.4 -7,-0.2 -78,-0.2 -0.331 67.5-130.6 -62.8 141.9 2.5 -1.0 15.5 97 113 A T E -c 18 0A 9 -80,-3.0 -78,-2.4 -2,-0.0 2,-0.3 -0.825 28.4-144.5 -87.9 136.6 3.0 0.8 18.8 98 114 A L E -cd 19 125A 1 26,-2.5 28,-2.8 -2,-0.4 29,-0.6 -0.726 19.2-178.7-107.1 150.1 3.9 -1.6 21.6 99 115 A I E -cd 20 127A 0 -80,-2.5 -78,-2.2 -2,-0.3 2,-0.3 -0.925 7.5-168.3-143.4 162.8 2.9 -1.6 25.2 100 116 A A E +cd 21 128A 0 27,-1.5 29,-1.6 -2,-0.3 2,-0.3 -0.889 9.5 166.3-155.0 164.6 3.8 -4.0 28.0 101 117 A G E -cd 22 129A 0 -80,-0.8 -78,-2.4 -2,-0.3 2,-0.3 -0.945 6.6-174.2 179.6 156.8 3.0 -4.9 31.6 102 118 A G E -cd 23 130A 0 27,-1.4 29,-2.7 -2,-0.3 2,-0.4 -0.984 16.6-139.0-163.8 160.6 3.3 -7.5 34.3 103 119 A Y E > - d 0 131A 18 -80,-1.2 3,-2.5 -2,-0.3 29,-0.2 -0.994 67.5 -43.2-125.6 129.0 2.2 -8.4 37.8 104 120 A S T >> S+ 0 0 14 27,-2.8 3,-2.6 -2,-0.4 4,-1.7 -0.243 139.1 11.2 57.1-129.9 4.6 -9.9 40.5 105 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.824 133.2 55.6 -41.9 -38.3 6.8 -12.5 38.8 106 122 A G H <> S+ 0 0 0 -3,-2.5 4,-2.5 2,-0.2 -1,-0.3 0.731 101.3 55.5 -73.7 -22.0 5.5 -11.2 35.5 107 123 A A H <> S+ 0 0 0 -3,-2.6 4,-1.9 24,-0.3 -1,-0.2 0.866 109.7 47.4 -67.7 -44.8 6.6 -7.7 36.5 108 124 A A H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.903 111.8 51.7 -57.3 -45.2 10.0 -9.2 36.9 109 125 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.3 0.970 110.0 47.2 -56.3 -54.0 9.5 -11.0 33.5 110 126 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.880 114.4 47.4 -55.1 -43.1 8.6 -7.7 31.7 111 127 A A H X S+ 0 0 3 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.826 113.0 46.7 -74.0 -34.1 11.6 -5.8 33.2 112 128 A A H X S+ 0 0 6 -4,-1.9 4,-1.6 -3,-0.2 -2,-0.2 0.908 116.5 45.5 -71.2 -42.9 14.1 -8.5 32.5 113 129 A S H X S+ 0 0 0 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.822 111.0 51.1 -71.2 -35.3 12.9 -8.9 28.9 114 130 A I H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.886 108.9 52.3 -75.3 -36.6 12.7 -5.2 28.2 115 131 A E H < S+ 0 0 63 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.902 114.1 43.6 -55.1 -46.2 16.3 -4.8 29.4 116 132 A D H < S+ 0 0 79 -4,-1.6 -2,-0.2 -5,-0.1 -1,-0.2 0.788 91.8 112.3 -75.7 -28.4 17.4 -7.6 27.1 117 133 A L S < S- 0 0 4 -4,-1.7 -3,-0.0 1,-0.1 -34,-0.0 -0.079 82.3 -95.9 -51.1 136.4 15.4 -6.4 24.1 118 134 A D >> - 0 0 87 1,-0.1 4,-2.7 4,-0.1 3,-0.5 -0.305 36.6-123.0 -44.5 129.0 17.0 -5.0 21.0 119 135 A S H 3> S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.774 109.3 60.5 -55.3 -30.6 17.0 -1.2 21.4 120 136 A A H 3> S+ 0 0 50 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.934 111.7 36.7 -66.1 -45.5 15.1 -0.9 18.1 121 137 A I H X4 S+ 0 0 7 -3,-0.5 3,-1.1 2,-0.2 4,-0.4 0.886 115.2 55.8 -71.9 -40.0 12.1 -2.9 19.3 122 138 A R H >< S+ 0 0 28 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.930 99.3 61.1 -59.5 -42.5 12.4 -1.5 22.9 123 139 A D H 3< S+ 0 0 97 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.735 99.3 57.5 -51.4 -32.6 12.1 2.0 21.4 124 140 A K T << S+ 0 0 58 -3,-1.1 -26,-2.5 -4,-0.5 2,-0.9 0.541 79.6 97.3 -78.5 -13.1 8.6 1.1 20.1 125 141 A I E < -d 98 0A 0 -3,-2.1 -26,-0.2 -4,-0.4 3,-0.1 -0.743 55.1-173.9 -78.9 107.3 7.3 0.2 23.6 126 142 A A E - 0 0 3 -28,-2.8 2,-0.3 -2,-0.9 -1,-0.2 0.769 62.4 -1.2 -78.3 -26.9 5.5 3.4 24.4 127 143 A G E -d 99 0A 0 -29,-0.6 -27,-1.5 -3,-0.1 2,-0.4 -0.992 52.4-160.4-164.0 159.0 4.7 2.4 28.0 128 144 A T E -de 100 151A 0 22,-2.2 24,-2.5 -2,-0.3 2,-0.5 -0.983 8.3-161.8-149.6 122.9 5.0 -0.3 30.5 129 145 A V E -de 101 152A 0 -29,-1.6 -27,-1.4 -2,-0.4 2,-0.4 -0.949 11.1-167.3-109.8 128.1 2.8 -0.7 33.7 130 146 A L E -de 102 153A 0 22,-3.0 24,-3.4 -2,-0.5 2,-0.4 -0.946 5.7-157.9-121.1 139.2 4.1 -2.9 36.5 131 147 A F E S-de 103 154A 0 -29,-2.7 -27,-2.8 -2,-0.4 -24,-0.3 -0.956 75.8 -8.8-117.9 133.7 2.2 -4.2 39.5 132 148 A G S S- 0 0 0 22,-2.3 2,-0.6 -2,-0.4 -28,-0.3 0.948 84.1-151.9 44.5 63.4 3.8 -5.4 42.7 133 149 A Y > - 0 0 0 21,-0.3 3,-1.7 -3,-0.2 4,-0.2 -0.574 10.5-158.7 -73.1 108.7 7.2 -5.2 41.0 134 150 A T T 3 S+ 0 0 3 -2,-0.6 4,-0.2 -30,-0.5 3,-0.2 0.624 91.4 43.9 -71.3 -14.2 9.4 -7.8 42.7 135 151 A K T 3> S+ 0 0 40 -31,-0.1 4,-3.3 1,-0.1 -1,-0.3 0.142 76.8 116.8-115.0 17.5 12.7 -6.1 41.5 136 152 A N T <4>S+ 0 0 33 -3,-1.7 5,-2.5 25,-0.3 6,-0.2 0.775 84.3 36.6 -49.7 -40.2 11.5 -2.6 42.4 137 153 A L T >45S+ 0 0 76 24,-0.3 3,-1.9 3,-0.2 -1,-0.2 0.914 116.6 51.3 -78.2 -49.7 14.2 -2.2 45.0 138 154 A Q T 345S+ 0 0 89 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.1 0.850 120.5 35.5 -59.6 -37.1 16.9 -4.1 43.2 139 155 A N T ><5S- 0 0 50 -4,-3.3 3,-2.0 3,-0.1 -1,-0.3 0.015 111.8-118.9-107.0 21.5 16.3 -1.9 40.0 140 156 A R T < 5S- 0 0 210 -3,-1.9 -3,-0.2 1,-0.3 -4,-0.1 0.781 71.2 -50.5 51.0 40.1 15.6 1.2 41.9 141 157 A G T 3 - 0 0 0 3,-0.4 3,-2.2 -2,-0.3 -31,-0.1 -0.973 50.2-107.3-103.9 123.5 13.4 -1.1 34.2 144 160 A P T 3 S+ 0 0 29 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.259 100.3 6.0 -56.8 133.9 17.1 -1.2 33.2 145 161 A N T 3 S+ 0 0 104 1,-0.2 -3,-0.0 -29,-0.0 0, 0.0 0.520 109.2 104.6 71.5 10.1 17.7 0.5 29.9 146 162 A Y S < S- 0 0 1 -3,-2.2 -3,-0.4 -35,-0.0 -1,-0.2 -0.948 79.5-100.3-123.1 139.5 14.1 1.8 29.6 147 163 A P > - 0 0 45 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.363 15.7-140.6 -56.4 129.7 13.0 5.4 30.3 148 164 A A G > S+ 0 0 58 1,-0.2 3,-1.3 2,-0.2 -2,-0.0 0.839 103.3 65.3 -54.3 -33.1 11.4 6.2 33.7 149 165 A D G 3 S+ 0 0 112 1,-0.3 -1,-0.2 3,-0.0 3,-0.0 0.600 104.0 43.4 -71.4 -11.2 9.0 8.4 31.7 150 166 A R G < S+ 0 0 62 -3,-1.6 -22,-2.2 -23,-0.1 2,-0.4 0.327 103.9 86.4-105.2 -0.1 7.5 5.4 29.9 151 167 A T E < -e 128 0A 17 -3,-1.3 2,-0.4 -4,-0.4 -22,-0.2 -0.865 50.2-178.5-106.2 135.2 7.4 3.3 33.1 152 168 A K E -e 129 0A 87 -24,-2.5 -22,-3.0 -2,-0.4 2,-0.5 -0.946 7.7-168.2-132.0 117.4 4.7 3.2 35.7 153 169 A V E -e 130 0A 39 -2,-0.4 2,-0.8 -24,-0.2 -22,-0.2 -0.874 9.7-158.5-103.5 126.3 5.1 1.1 38.8 154 170 A F E +e 131 0A 19 -24,-3.4 -22,-2.3 -2,-0.5 2,-0.4 -0.917 26.9 158.6-102.3 109.5 2.2 0.4 41.1 155 171 A b - 0 0 39 -2,-0.8 3,-0.1 -24,-0.2 17,-0.1 -0.863 28.1-149.1-138.1 93.5 3.8 -0.6 44.3 156 172 A K > - 0 0 87 -2,-0.4 3,-2.0 15,-0.2 6,-0.2 -0.273 28.3 -97.2 -66.7 149.5 1.5 -0.2 47.3 157 173 A T T 3 S+ 0 0 146 1,-0.3 -1,-0.1 14,-0.0 3,-0.1 -0.472 115.1 25.0 -61.2 134.7 2.7 0.7 50.7 158 174 A G T 3 S+ 0 0 42 1,-0.3 2,-1.0 -2,-0.1 14,-0.3 0.551 83.7 125.1 78.1 6.3 3.0 -2.5 52.7 159 175 A D X - 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