==== 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 3ESD . 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 . 195 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 9 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 2 0 0 0 0 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 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 . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.8 60.0 9.6 19.3 2 18 A T + 0 0 42 1,-0.1 29,-2.6 30,-0.1 30,-2.0 0.334 360.0 63.0 -94.9 9.8 57.4 10.0 16.6 3 19 A T + 0 0 43 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.966 58.5 172.2-133.1 119.6 59.2 8.4 13.8 4 20 A R + 0 0 58 -2,-0.4 52,-2.2 49,-0.0 3,-0.1 -0.987 12.7 167.2-128.0 132.8 60.0 4.6 14.1 5 21 A D B > +A 55 0A 52 -2,-0.4 4,-1.9 50,-0.2 50,-0.2 -0.178 25.1 141.6-136.4 38.3 61.4 2.6 11.1 6 22 A D T 4 S+ 0 0 39 48,-2.4 49,-0.2 1,-0.2 4,-0.1 0.875 75.3 40.0 -62.6 -38.1 62.4 -0.5 13.0 7 23 A L T >4 S+ 0 0 0 47,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.948 114.7 46.7 -78.5 -49.0 61.3 -2.9 10.2 8 24 A I T 34 S+ 0 0 86 1,-0.3 -2,-0.2 3,-0.0 -1,-0.2 0.845 122.8 38.7 -63.5 -24.1 62.4 -1.0 7.0 9 25 A N T 3< S+ 0 0 126 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.444 98.8 112.0-104.8 2.5 65.8 -0.4 8.6 10 26 A G < - 0 0 16 -3,-1.2 2,-0.4 -5,-0.2 -3,-0.1 -0.401 57.3-139.8 -83.4 148.7 66.0 -3.7 10.2 11 27 A N > - 0 0 85 -2,-0.1 3,-1.6 1,-0.1 -2,-0.1 -0.876 22.6-118.3-106.3 146.0 68.4 -6.5 9.5 12 28 A S G > S+ 0 0 83 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.779 109.6 58.6 -39.6 -48.8 67.4 -10.2 9.5 13 29 A A G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.782 109.3 46.5 -62.2 -26.0 69.7 -11.2 12.3 14 30 A S G < S+ 0 0 66 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.298 80.0 149.4-105.1 5.7 68.0 -8.8 14.5 15 31 A a < - 0 0 40 -3,-2.0 2,-0.2 77,-0.2 -3,-0.1 0.050 42.8-127.8 -43.8 133.4 64.4 -9.7 13.6 16 32 A A - 0 0 4 1,-0.1 36,-0.1 2,-0.0 35,-0.1 -0.719 9.8-126.7 -89.3 157.3 62.1 -9.2 16.5 17 33 A D S S+ 0 0 96 34,-0.3 80,-1.8 -2,-0.2 2,-0.4 0.689 100.6 37.1 -64.5 -33.4 59.7 -11.7 17.9 18 34 A V E -bc 52 97A 2 33,-1.0 35,-2.6 78,-0.2 2,-0.5 -0.974 66.4-165.1-128.8 134.9 56.9 -9.1 17.4 19 35 A I E -bc 53 98A 0 78,-2.5 80,-2.5 -2,-0.4 2,-0.5 -0.985 6.6-162.2-123.6 124.1 56.4 -6.5 14.7 20 36 A F E -bc 54 99A 0 33,-3.2 35,-2.6 -2,-0.5 2,-0.5 -0.952 2.9-169.4-113.5 122.3 54.0 -3.6 15.3 21 37 A I E -bc 55 100A 0 78,-1.9 80,-1.7 -2,-0.5 2,-0.4 -0.933 13.1-179.9-113.0 120.5 52.8 -1.6 12.2 22 38 A Y E -bc 56 101A 0 33,-2.4 35,-3.0 -2,-0.5 2,-0.5 -0.966 18.6-155.5-132.3 135.6 50.9 1.6 13.1 23 39 A A E - c 0 102A 0 78,-2.4 80,-1.5 -2,-0.4 83,-0.1 -0.925 21.4-139.3-112.7 133.0 49.3 4.3 11.0 24 40 A R - 0 0 15 -2,-0.5 85,-0.1 7,-0.4 9,-0.1 -0.335 23.3 -89.7 -83.8 171.3 48.8 7.8 12.4 25 41 A G > - 0 0 1 1,-0.2 3,-1.7 80,-0.2 -1,-0.2 -0.029 60.3 -68.1 -71.2 169.0 46.0 10.3 12.3 26 42 A S T 3 S+ 0 0 16 1,-0.3 38,-0.2 77,-0.1 -1,-0.2 -0.374 118.0 4.2 -63.5 143.5 45.6 13.0 9.6 27 43 A T T 3 S+ 0 0 98 36,-3.5 -1,-0.3 35,-0.2 2,-0.1 0.678 97.3 150.4 52.1 30.3 48.2 15.7 9.6 28 44 A E < - 0 0 29 -3,-1.7 2,-0.2 35,-0.2 -1,-0.1 -0.569 47.9 -95.1 -93.4 164.8 50.1 14.1 12.4 29 45 A T S > S- 0 0 98 -2,-0.1 4,-2.0 -3,-0.1 3,-0.5 -0.394 77.7 -21.5 -74.4 145.1 53.7 14.2 13.2 30 46 A G T 4 S- 0 0 31 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 -0.242 102.6 -61.6 66.7-142.6 56.4 11.6 12.1 31 47 A N T 4 S+ 0 0 6 -29,-2.6 26,-0.8 2,-0.1 -7,-0.4 0.453 136.6 44.9-118.8 3.3 55.0 8.2 11.2 32 48 A L T >> S- 0 0 0 -30,-2.0 4,-1.8 -3,-0.5 3,-0.6 0.477 82.6-176.7-113.5 -22.2 53.6 7.5 14.7 33 49 A G T 3< - 0 0 4 -4,-2.0 -2,-0.1 -31,-0.6 -1,-0.1 0.028 55.1 -28.4 53.0-147.9 51.9 10.8 15.6 34 50 A T T 34 S+ 0 0 88 1,-0.1 -1,-0.2 2,-0.1 4,-0.2 0.859 139.2 30.0 -79.4 -29.1 50.2 11.3 19.0 35 51 A L T X> S+ 0 0 8 -3,-0.6 4,-1.8 2,-0.1 3,-0.8 0.771 102.9 74.8 -97.3 -32.4 49.2 7.8 20.0 36 52 A G H 3X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.3 5,-0.2 0.858 93.6 50.3 -50.5 -54.0 51.8 5.7 18.4 37 53 A P H 3> S+ 0 0 28 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.851 108.5 53.3 -53.8 -33.9 54.7 6.4 20.7 38 54 A S H <> S+ 0 0 34 -3,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.942 111.3 45.8 -72.9 -43.3 52.6 5.7 23.8 39 55 A I H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 3,-0.3 0.930 112.7 50.4 -60.2 -53.4 51.7 2.3 22.4 40 56 A A H >X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 3,-0.8 0.950 107.3 55.0 -52.3 -49.5 55.3 1.5 21.4 41 57 A S H 3X S+ 0 0 71 -4,-2.4 4,-1.2 1,-0.3 -1,-0.2 0.854 109.4 46.2 -49.0 -48.6 56.6 2.5 24.9 42 58 A N H 3X S+ 0 0 48 -4,-1.5 4,-0.7 -3,-0.3 -1,-0.3 0.761 112.5 49.8 -63.9 -38.9 54.2 -0.0 26.6 43 59 A L H < - 0 0 33 -4,-1.7 3,-0.9 -5,-0.3 4,-0.3 0.163 36.8 -80.5 77.4 153.3 61.9 -5.6 25.8 49 65 A K G > S+ 0 0 133 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.900 132.8 48.7 -60.4 -41.5 63.4 -3.3 23.2 50 66 A D G 3 S+ 0 0 155 1,-0.2 -1,-0.3 -6,-0.1 -33,-0.1 0.646 105.2 64.0 -73.2 -15.0 65.1 -6.2 21.4 51 67 A G G < S+ 0 0 14 -3,-0.9 -33,-1.0 -4,-0.3 -34,-0.3 0.429 102.4 38.1 -90.8 3.3 61.8 -8.1 21.4 52 68 A V E < - b 0 18A 0 -3,-0.9 2,-0.5 -4,-0.3 -33,-0.2 -0.971 64.0-144.8-155.6 131.1 59.5 -5.8 19.3 53 69 A W E - b 0 19A 23 -35,-2.6 -33,-3.2 -2,-0.3 2,-0.5 -0.911 14.7-149.9-101.3 131.9 60.0 -3.7 16.1 54 70 A I E + b 0 20A 0 -2,-0.5 -48,-2.4 -35,-0.2 2,-0.5 -0.910 20.5 174.1-106.9 125.6 58.0 -0.5 15.9 55 71 A Q E -Ab 5 21A 3 -35,-2.6 -33,-2.4 -2,-0.5 2,-0.2 -0.953 13.1-160.2-140.8 108.4 57.2 0.6 12.4 56 72 A G E - b 0 22A 0 -52,-2.2 2,-1.2 -2,-0.5 -33,-0.2 -0.524 31.0-106.7 -87.5 159.4 55.0 3.5 11.5 57 73 A V + 0 0 0 -35,-3.0 -33,-0.4 -26,-0.8 25,-0.1 -0.644 63.9 135.0 -85.9 104.2 53.3 3.9 8.2 58 74 A G > + 0 0 14 -2,-1.2 3,-2.6 23,-0.1 2,-0.2 0.081 28.7 75.4-115.2-125.9 55.2 6.6 6.4 59 75 A G T 3 S+ 0 0 45 1,-0.3 19,-0.1 3,-0.1 -2,-0.0 -0.355 116.5 3.1 59.9-120.2 56.4 6.8 2.9 60 76 A A T 3 S+ 0 0 39 17,-0.2 2,-1.1 -2,-0.2 -1,-0.3 0.556 107.7 97.9 -74.4 -17.5 53.4 7.5 0.5 61 77 A Y < + 0 0 0 -3,-2.6 -1,-0.0 1,-0.2 13,-0.0 -0.689 45.7 168.6 -76.6 104.9 50.9 7.8 3.4 62 78 A R - 0 0 155 -2,-1.1 -35,-0.2 2,-0.0 -1,-0.2 0.567 36.8-136.6 -95.8 -8.9 50.9 11.5 3.7 63 79 A A + 0 0 0 1,-0.2 -36,-3.5 -37,-0.1 -35,-0.2 0.780 35.0 179.5 59.2 45.6 47.9 11.6 6.0 64 80 A T - 0 0 68 -38,-0.2 4,-0.4 -37,-0.1 -1,-0.2 -0.286 35.7-128.4 -76.0 151.1 46.2 14.5 4.3 65 81 A L S > S+ 0 0 112 1,-0.2 3,-1.7 2,-0.2 4,-0.2 0.946 106.6 57.3 -63.0 -44.9 42.9 15.9 5.5 66 82 A G G > S+ 0 0 51 1,-0.3 3,-2.6 2,-0.2 4,-0.4 0.848 93.1 68.7 -51.1 -42.8 41.3 15.6 2.0 67 83 A D G > S+ 0 0 38 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.729 82.2 71.7 -64.3 -14.9 42.0 11.9 1.8 68 84 A N G < S+ 0 0 15 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.727 92.4 61.0 -64.4 -18.6 39.5 11.1 4.5 69 85 A A G < S+ 0 0 86 -3,-2.6 -1,-0.2 -4,-0.2 -2,-0.2 0.527 82.3 102.2 -91.8 -3.6 36.8 12.0 1.9 70 86 A L S X S- 0 0 68 -3,-1.1 3,-1.5 -4,-0.4 5,-0.0 -0.387 91.8 -96.0 -69.5 159.2 37.9 9.2 -0.5 71 87 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.863 121.0 35.2 -41.8 -55.7 35.8 6.0 -0.7 72 88 A R T 3 S- 0 0 81 2,-0.4 40,-0.2 1,-0.0 3,-0.1 0.591 118.1-102.3 -87.7 0.3 37.8 3.9 1.7 73 89 A G S < S+ 0 0 1 -3,-1.5 2,-0.3 1,-0.3 35,-0.2 0.628 97.8 38.4 100.3 0.4 38.7 6.7 4.1 74 90 A T S S- 0 0 4 34,-0.1 -2,-0.4 35,-0.1 -1,-0.3 -0.850 94.7 -74.4-170.9 169.1 42.3 7.1 2.8 75 91 A S > - 0 0 19 -2,-0.3 4,-1.6 -3,-0.1 5,-0.1 -0.390 32.8-119.9 -80.9 156.9 44.2 7.0 -0.6 76 92 A S H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.823 114.4 56.6 -59.8 -40.5 45.1 4.0 -2.6 77 93 A A H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.928 104.8 51.4 -65.9 -35.8 48.7 4.8 -2.3 78 94 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 109.9 49.1 -67.6 -36.7 48.5 4.8 1.5 79 95 A I H X S+ 0 0 8 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.948 109.7 50.9 -69.7 -34.9 46.9 1.4 1.5 80 96 A R H X S+ 0 0 176 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.850 107.5 55.8 -71.5 -28.4 49.5 0.0 -0.8 81 97 A E H X S+ 0 0 57 -4,-2.0 4,-1.6 -5,-0.3 -1,-0.2 0.952 110.9 42.1 -65.1 -44.2 52.2 1.5 1.5 82 98 A M H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.886 111.9 56.0 -70.5 -37.8 50.8 -0.4 4.6 83 99 A L H X S+ 0 0 27 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.929 106.4 50.9 -52.8 -53.6 50.3 -3.5 2.5 84 100 A G H X S+ 0 0 26 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.888 108.3 51.9 -57.1 -38.1 54.0 -3.5 1.5 85 101 A L H X S+ 0 0 10 -4,-1.6 4,-3.4 2,-0.3 -1,-0.2 0.957 109.6 46.7 -67.6 -44.4 55.1 -3.2 5.1 86 102 A F H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.908 114.0 52.6 -57.3 -38.3 53.0 -6.2 6.3 87 103 A Q H X S+ 0 0 100 -4,-2.2 4,-1.8 2,-0.2 -2,-0.3 0.817 109.9 46.8 -61.7 -45.0 54.6 -7.8 3.2 88 104 A Q H X S+ 0 0 58 -4,-3.0 4,-3.5 -5,-0.2 5,-0.5 0.934 110.5 51.4 -70.9 -39.9 58.0 -6.8 4.4 89 105 A A H X S+ 0 0 0 -4,-3.4 4,-1.3 2,-0.2 7,-0.2 0.890 110.5 51.2 -54.5 -41.1 57.4 -8.1 7.9 90 106 A N H < S+ 0 0 45 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.879 120.3 33.3 -60.5 -49.0 56.2 -11.4 6.4 91 107 A T H < S+ 0 0 109 -4,-1.8 -2,-0.2 1,-0.1 -3,-0.2 0.902 119.3 45.3 -82.9 -50.3 59.3 -11.8 4.3 92 108 A K H < S+ 0 0 47 -4,-3.5 -3,-0.2 1,-0.3 -77,-0.2 0.840 130.9 21.0 -70.2 -30.6 62.1 -10.3 6.4 93 109 A a S >< S+ 0 0 4 -4,-1.3 3,-1.5 -5,-0.5 -1,-0.3 -0.665 70.3 175.8-137.6 75.8 61.1 -12.0 9.6 94 110 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.602 75.2 52.1 -67.2 -12.7 58.9 -15.0 8.7 95 111 A D T 3 S+ 0 0 141 -79,-0.1 2,-0.3 2,-0.1 -5,-0.1 0.157 86.1 104.0-113.4 15.8 58.5 -16.2 12.3 96 112 A A S < S- 0 0 6 -3,-1.5 2,-0.3 -7,-0.2 -78,-0.2 -0.871 70.2-117.5-104.6 155.2 57.3 -13.2 14.1 97 113 A T E -c 18 0A 14 -80,-1.8 -78,-2.5 -2,-0.3 2,-0.3 -0.580 28.3-142.1 -79.9 133.0 53.9 -12.3 15.3 98 114 A L E -cd 19 125A 1 26,-2.7 28,-2.1 -2,-0.3 29,-0.5 -0.735 18.6-178.3 -93.1 147.3 52.4 -9.1 13.6 99 115 A I E -cd 20 127A 0 -80,-2.5 -78,-1.9 -2,-0.3 2,-0.3 -0.944 9.3-163.7-132.1 159.8 50.3 -6.6 15.5 100 116 A A E +cd 21 128A 0 27,-1.8 29,-2.1 -2,-0.3 2,-0.3 -0.913 12.6 168.0-145.4 163.5 48.7 -3.5 14.0 101 117 A G E +cd 22 129A 0 -80,-1.7 -78,-2.4 -2,-0.3 2,-0.3 -0.999 3.8 177.5-166.1 161.6 47.1 -0.2 14.9 102 118 A G E -cd 23 130A 0 27,-1.4 29,-2.0 -2,-0.3 2,-0.4 -0.910 18.2-137.9-175.1 151.5 45.9 3.2 13.6 103 119 A Y E > - d 0 131A 17 -80,-1.5 3,-3.1 -2,-0.3 29,-0.2 -0.942 66.2 -42.5-121.2 126.4 44.1 6.4 14.6 104 120 A S T >> S+ 0 0 11 27,-2.6 4,-2.0 -2,-0.4 3,-1.3 -0.261 140.8 10.0 56.4-117.1 41.4 8.3 12.7 105 121 A Q H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.853 132.3 57.9 -57.2 -29.5 42.5 8.2 9.1 106 122 A G H <> S+ 0 0 0 -3,-3.1 4,-2.7 2,-0.2 -1,-0.3 0.752 102.5 53.3 -71.5 -29.2 45.2 5.7 10.2 107 123 A A H <> S+ 0 0 0 -3,-1.3 4,-2.6 24,-0.3 -1,-0.2 0.885 109.3 48.4 -68.6 -47.0 42.4 3.5 11.6 108 124 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.867 113.2 48.9 -57.5 -42.4 40.7 3.6 8.1 109 125 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.3 0.897 109.7 50.1 -67.4 -43.4 44.1 2.8 6.7 110 126 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.842 112.6 48.9 -58.5 -48.0 44.7 -0.2 9.0 111 127 A A H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.956 113.5 43.5 -58.4 -50.2 41.2 -1.5 8.2 112 128 A A H X S+ 0 0 4 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.914 113.6 51.3 -65.0 -42.6 41.6 -1.3 4.4 113 129 A S H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 3,-0.4 0.932 113.1 44.8 -61.6 -46.1 45.1 -2.7 4.4 114 130 A I H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 110.0 54.5 -71.3 -32.6 44.2 -5.7 6.5 115 131 A E H < S+ 0 0 61 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.871 114.5 42.5 -67.3 -24.7 41.1 -6.4 4.5 116 132 A D H < S+ 0 0 70 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.639 92.2 110.8 -93.3 -22.2 43.2 -6.4 1.4 117 133 A L S < S- 0 0 6 -4,-1.0 -3,-0.0 1,-0.2 -34,-0.0 -0.141 82.4 -93.6 -61.7 144.3 46.1 -8.5 2.8 118 134 A D >> - 0 0 94 1,-0.2 4,-3.3 2,-0.1 3,-0.6 -0.323 38.0-122.2 -58.3 139.0 46.9 -12.0 1.7 119 135 A S H 3> S+ 0 0 65 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.872 109.9 57.1 -53.4 -34.4 45.0 -14.3 4.2 120 136 A A H 3> S+ 0 0 51 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.941 111.2 39.9 -66.7 -44.0 48.3 -16.0 5.1 121 137 A I H X4 S+ 0 0 14 -3,-0.6 3,-0.7 1,-0.2 4,-0.4 0.941 114.4 54.5 -71.3 -44.0 49.9 -12.8 6.2 122 138 A R H >< S+ 0 0 32 -4,-3.3 3,-2.0 1,-0.2 -2,-0.2 0.922 98.3 63.5 -56.5 -38.8 46.7 -11.6 7.8 123 139 A D H 3< S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.4 -2,-0.2 0.942 97.4 59.3 -50.9 -33.1 46.6 -14.8 9.8 124 140 A K T << S+ 0 0 58 -4,-0.8 -26,-2.7 -3,-0.7 2,-1.1 0.644 78.5 97.0 -75.4 -9.4 49.8 -13.6 11.5 125 141 A I E < -d 98 0A 0 -3,-2.0 -26,-0.2 -4,-0.4 -1,-0.1 -0.772 53.9-175.0 -87.6 101.8 48.3 -10.4 12.8 126 142 A A E + 0 0 7 -28,-2.1 2,-0.3 -2,-1.1 -1,-0.2 0.726 63.1 2.5 -64.6 -35.4 47.4 -11.4 16.4 127 143 A G E -d 99 0A 0 -29,-0.5 -27,-1.8 2,-0.0 2,-0.4 -0.986 57.5-160.2-157.8 149.5 45.7 -8.2 17.5 128 144 A T E -de 100 151A 0 22,-2.0 24,-2.4 -2,-0.3 2,-0.4 -0.991 5.8-160.4-140.9 128.4 44.6 -4.9 16.0 129 145 A V E -de 101 152A 0 -29,-2.1 -27,-1.4 -2,-0.4 2,-0.4 -0.917 6.7-171.7-113.4 135.1 43.7 -1.7 17.8 130 146 A L E -de 102 153A 0 22,-2.2 24,-2.6 -2,-0.4 2,-0.5 -0.934 1.1-169.6-120.1 136.8 41.7 1.1 16.1 131 147 A F E S-de 103 154A 0 -29,-2.0 -27,-2.6 -2,-0.4 -24,-0.3 -0.986 73.7 -1.7-127.8 127.1 41.2 4.5 17.8 132 148 A G S S- 0 0 0 22,-2.6 2,-0.5 -2,-0.5 -25,-0.2 0.934 83.6-158.5 59.4 50.2 38.7 7.0 16.4 133 149 A Y > - 0 0 0 21,-0.6 3,-1.9 1,-0.2 4,-0.3 -0.390 12.6-159.4 -76.6 111.1 37.8 4.7 13.6 134 150 A T T 3 S+ 0 0 4 -30,-0.6 30,-0.2 -2,-0.5 -1,-0.2 0.635 93.5 43.3 -76.4 -15.8 36.3 6.8 10.8 135 151 A K T 3> S+ 0 0 45 -31,-0.2 4,-3.3 1,-0.1 -1,-0.3 0.118 76.5 119.1-114.0 18.0 34.6 3.8 9.2 136 152 A N T <4>S+ 0 0 37 -3,-1.9 5,-2.3 2,-0.2 6,-0.2 0.892 85.4 34.7 -45.4 -55.3 33.4 2.4 12.6 137 153 A L T >45S+ 0 0 98 -4,-0.3 3,-1.1 24,-0.2 -1,-0.2 0.911 116.4 52.5 -73.5 -45.8 29.7 2.8 11.4 138 154 A Q T 345S+ 0 0 78 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.884 120.1 35.7 -59.2 -39.6 30.2 1.9 7.8 139 155 A N T ><5S- 0 0 54 -4,-3.3 3,-1.7 3,-0.1 -1,-0.3 0.153 108.9-117.4-103.4 19.6 32.0 -1.3 8.7 140 156 A R T < 5S- 0 0 222 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.853 71.1 -59.2 52.8 32.0 30.0 -2.2 11.8 141 157 A G T 3 - 0 0 0 3,-0.5 3,-1.8 -2,-0.2 -31,-0.1 -0.988 45.2-109.1-102.6 123.4 37.6 -4.8 9.9 144 160 A P T 3 S+ 0 0 31 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.271 101.2 7.9 -52.7 124.7 36.4 -6.5 6.8 145 161 A N T 3 S+ 0 0 99 1,-0.2 0, 0.0 -29,-0.1 0, 0.0 0.500 109.8 101.7 77.7 12.4 37.9 -10.1 6.6 146 162 A Y S < S- 0 0 0 -3,-1.8 -3,-0.5 -23,-0.0 -1,-0.2 -0.989 77.5-104.1-132.8 129.0 39.4 -9.9 10.1 147 163 A P > - 0 0 43 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.226 16.1-135.2 -58.2 128.9 38.0 -11.6 13.2 148 164 A A G > S+ 0 0 64 1,-0.3 3,-1.4 2,-0.2 -7,-0.0 0.830 101.4 64.8 -49.2 -29.8 36.2 -9.5 15.8 149 165 A D G 3 S+ 0 0 107 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.692 104.8 43.3 -86.8 -4.3 38.1 -11.2 18.6 150 166 A R G < S+ 0 0 51 -3,-1.9 -22,-2.0 -23,-0.1 2,-0.4 0.233 102.8 85.4-109.6 13.5 41.4 -9.9 17.5 151 167 A T E < -e 128 0A 17 -3,-1.4 2,-0.4 -4,-0.3 -22,-0.2 -0.886 52.0-176.9-110.0 138.1 40.0 -6.4 16.9 152 168 A K E -e 129 0A 77 -24,-2.4 -22,-2.2 -2,-0.4 2,-0.4 -0.868 7.9-167.0-136.5 107.5 39.7 -3.8 19.6 153 169 A V E -e 130 0A 39 -2,-0.4 2,-0.7 -24,-0.2 -22,-0.2 -0.739 8.7-158.4 -95.8 131.9 38.1 -0.5 18.6 154 170 A F E +e 131 0A 17 -24,-2.6 -22,-2.6 -2,-0.4 -21,-0.6 -0.948 25.3 160.6-106.7 110.3 38.3 2.5 20.9 155 171 A b - 0 0 42 -2,-0.7 3,-0.1 -24,-0.2 17,-0.1 -0.888 28.8-145.8-138.5 101.0 35.4 4.8 19.9 156 172 A K > - 0 0 66 -2,-0.4 3,-1.9 15,-0.2 6,-0.2 -0.374 29.3 -94.0 -76.2 150.0 34.6 7.2 22.6 157 173 A T T 3 S+ 0 0 141 1,-0.3 -1,-0.1 14,-0.0 3,-0.1 -0.407 115.7 21.5 -61.9 139.8 31.1 8.3 23.2 158 174 A G T 3 S+ 0 0 42 1,-0.2 2,-1.3 -2,-0.1 -1,-0.3 0.368 82.4 134.8 76.7 0.6 30.5 11.5 21.3 159 175 A D X - 0 0 2 -3,-1.9 3,-1.9 12,-0.2 4,-0.3 -0.597 42.9-161.2 -74.8 102.6 33.4 10.8 18.9 160 176 A L G > >S+ 0 0 74 -2,-1.3 5,-2.3 1,-0.2 3,-1.3 0.726 81.1 65.6 -63.0 -18.7 31.4 11.7 15.7 161 177 A V G > 5S+ 0 0 1 1,-0.3 3,-0.5 6,-0.2 -1,-0.2 0.730 95.4 60.0 -72.4 -22.0 33.8 9.9 13.3 162 178 A b G < 5S+ 0 0 6 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.230 104.4 50.8 -75.2 -13.9 32.7 6.8 14.9 163 179 A T G < 5S- 0 0 104 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 -0.117 130.9 -79.3-125.5 44.9 29.1 7.5 13.9 164 180 A G T < 5S+ 0 0 40 -3,-0.5 -3,-0.2 1,-0.3 -2,-0.1 0.289 98.1 109.5 82.8 2.3 29.5 8.3 10.1 165 181 A S < - 0 0 37 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.0 -0.292 58.0-152.1 -93.0-179.2 30.7 11.9 10.5 166 182 A L + 0 0 87 -3,-0.1 -5,-0.2 -2,-0.1 2,-0.1 0.348 57.3 123.6-124.6 3.4 34.1 13.5 9.9 167 183 A I - 0 0 96 -7,-0.2 2,-0.7 1,-0.1 -6,-0.2 -0.455 58.5-139.0 -57.4 128.4 33.6 16.2 12.4 168 184 A V + 0 0 83 -8,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.837 29.8 176.1 -95.8 112.2 36.5 16.1 15.0 169 185 A A >> - 0 0 26 -2,-0.7 3,-1.5 -11,-0.1 4,-0.7 -0.649 46.7 -87.7-106.6 173.7 35.2 16.7 18.5 170 186 A A G >4 S+ 0 0 76 1,-0.3 3,-1.5 -2,-0.2 -11,-0.1 0.841 123.5 56.4 -58.9 -44.0 36.8 16.6 21.9 171 187 A P G >4 S+ 0 0 36 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 0.838 100.1 60.9 -60.0 -26.2 36.3 12.9 22.5 172 188 A H G <4 S+ 0 0 3 -3,-1.5 3,-0.4 1,-0.3 -2,-0.2 0.752 105.1 48.7 -65.8 -22.4 38.2 12.2 19.2 173 189 A L G << S+ 0 0 115 -3,-1.5 -1,-0.3 -4,-0.7 3,-0.3 0.216 96.0 77.1 -96.4 7.4 41.2 13.9 20.8 174 190 A A < + 0 0 41 -3,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.168 51.4 106.9-115.1 18.4 41.0 11.9 24.0 175 191 A Y > + 0 0 2 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 0.454 50.4 103.7 -75.1 -1.3 42.5 8.5 23.1 176 192 A G H > S+ 0 0 19 -3,-0.3 4,-1.1 1,-0.2 3,-0.3 0.903 81.2 42.9 -44.2 -61.1 45.7 9.3 25.1 177 193 A P H >> S+ 0 0 78 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.872 112.6 55.4 -57.0 -39.1 44.9 7.2 28.2 178 194 A D H 34>S+ 0 0 26 -4,-0.3 5,-2.4 1,-0.3 -2,-0.2 0.878 105.5 51.1 -61.2 -42.7 43.7 4.4 25.9 179 195 A A H 3<5S+ 0 0 0 -4,-2.2 -1,-0.3 -3,-0.3 -137,-0.2 0.672 112.9 45.9 -69.9 -19.9 47.0 4.3 24.0 180 196 A R H <<5S+ 0 0 144 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.762 128.6 13.5 -90.7 -25.9 49.0 4.1 27.2 181 197 A G T X5S+ 0 0 20 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.707 125.0 19.7-110.4-102.4 46.9 1.4 28.9 182 198 A P H >5S+ 0 0 40 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.704 115.3 61.1 -56.2 -30.0 44.2 -0.9 27.5 183 199 A A H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.907 115.1 58.8 -64.4 -39.3 48.8 -2.1 24.1 185 201 A E H X S+ 0 0 93 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.926 104.9 50.9 -59.6 -39.8 47.7 -4.5 26.9 186 202 A F H X S+ 0 0 19 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.952 112.1 46.7 -55.7 -43.5 45.2 -6.0 24.4 187 203 A L H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -2,-0.2 0.815 113.1 49.2 -69.0 -30.8 48.0 -6.4 21.9 188 204 A I H X S+ 0 0 13 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.829 110.5 50.9 -72.5 -43.2 50.3 -7.9 24.5 189 205 A E H X S+ 0 0 110 -4,-2.7 4,-2.7 -5,-0.2 -2,-0.2 0.952 112.0 47.4 -57.2 -52.2 47.5 -10.3 25.6 190 206 A K H X S+ 0 0 59 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.840 113.4 46.6 -64.1 -36.9 47.0 -11.4 22.0 191 207 A V H X S+ 0 0 2 -4,-1.3 4,-2.4 -5,-0.2 -1,-0.2 0.949 112.3 49.5 -71.7 -45.0 50.7 -11.9 21.3 192 208 A R H < S+ 0 0 140 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.907 106.6 56.4 -62.9 -45.3 51.4 -13.8 24.4 193 209 A A H < S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.938 115.9 35.4 -52.0 -55.8 48.4 -16.2 23.9 194 210 A V H < 0 0 103 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.759 360.0 360.0 -72.4 -26.2 49.6 -17.3 20.4 195 211 A R < 0 0 130 -4,-2.4 0, 0.0 -5,-0.2 0, 0.0 -0.724 360.0 360.0 -95.3 360.0 53.3 -17.2 21.3