==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-AUG-03 1UK9 . COMPND 2 MOLECULE: 2-HYDROXY-6-OXO-7-METHYLOCTA-2,4-DIENOATE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR S.FUSHINOBU,S.-Y.JUN,M.HIDAKA,H.NOJIRI,H.YAMANE,H.SHOUN, . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11589.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 4.1 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 . 1 0.4 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 . 1 0.4 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 . 28 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 3 1 0 2 1 0 1 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 1 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 PARALLEL BRIDGES PER LADDER . 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A N > 0 0 118 0, 0.0 3,-2.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.7 27.8 29.3 -16.5 2 4 A L T 3 + 0 0 123 1,-0.3 37,-0.0 37,-0.0 0, 0.0 0.638 360.0 71.6 -62.5 -14.6 28.6 32.2 -14.1 3 5 A E T 3 S+ 0 0 21 36,-0.1 2,-0.6 2,-0.1 36,-0.3 0.698 83.4 80.5 -75.2 -17.9 25.2 31.6 -12.4 4 6 A I < + 0 0 95 -3,-2.0 3,-0.1 1,-0.1 60,-0.0 -0.800 60.6 153.2 -90.2 121.8 26.7 28.4 -11.0 5 7 A G - 0 0 36 -2,-0.6 13,-0.2 1,-0.4 2,-0.2 0.262 47.2 -27.1-115.3-120.4 28.8 29.1 -8.0 6 8 A K E -A 17 0A 105 11,-3.3 11,-2.4 2,-0.0 2,-0.4 -0.568 55.6-133.2 -99.1 165.6 29.8 27.1 -4.9 7 9 A S E +A 16 0A 77 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.963 27.6 161.4-125.7 139.2 27.8 24.3 -3.3 8 10 A I E -A 15 0A 35 7,-1.7 7,-3.2 -2,-0.4 2,-0.5 -0.992 40.9-112.2-153.9 146.1 26.9 23.7 0.3 9 11 A L E +A 14 0A 111 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.701 42.6 172.7 -80.2 122.8 24.3 21.6 2.3 10 12 A A E > -A 13 0A 1 3,-2.4 3,-2.3 -2,-0.5 76,-0.2 -0.982 67.0 -14.3-136.9 123.5 21.9 24.0 4.0 11 13 A A T 3 S- 0 0 62 -2,-0.4 3,-0.1 74,-0.3 -1,-0.1 0.842 128.9 -56.9 54.7 32.4 18.8 23.0 5.9 12 14 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 73,-0.1 -1,-0.3 0.498 117.3 111.6 79.6 3.8 19.2 19.7 4.2 13 15 A V E < S-A 10 0A 10 -3,-2.3 -3,-2.4 69,-0.1 2,-0.6 -0.940 73.8-121.1-115.2 129.7 19.2 21.1 0.7 14 16 A L E -A 9 0A 75 -2,-0.5 53,-2.9 -5,-0.2 2,-0.4 -0.558 43.2-157.9 -67.3 117.0 22.2 21.2 -1.6 15 17 A T E -A 8 0A 1 -7,-3.2 -7,-1.7 -2,-0.6 2,-0.4 -0.854 18.9-145.7-112.4 133.6 22.5 24.9 -2.2 16 18 A N E +A 7 0A 9 -2,-0.4 43,-2.9 43,-0.3 2,-0.3 -0.766 38.8 153.4 -89.6 132.6 24.1 26.9 -5.0 17 19 A Y E -AB 6 58A 21 -11,-2.4 -11,-3.3 -2,-0.4 2,-0.4 -0.983 40.1-127.0-155.9 167.1 25.6 30.2 -3.7 18 20 A H E - B 0 57A 25 39,-1.6 39,-2.4 -2,-0.3 2,-0.4 -0.940 18.1-174.5-119.6 142.0 28.2 32.9 -4.2 19 21 A D E + B 0 56A 24 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.909 16.0 158.9-141.1 105.4 30.6 34.0 -1.4 20 22 A V E + B 0 55A 65 35,-2.4 35,-3.8 -2,-0.4 2,-0.1 -0.992 39.4 16.2-134.2 138.5 32.8 37.0 -2.1 21 23 A G - 0 0 29 -2,-0.4 2,-0.3 33,-0.3 33,-0.3 -0.272 67.3-100.7 97.6 175.2 34.6 39.4 0.1 22 24 A E + 0 0 174 28,-0.5 2,-0.3 31,-0.3 -2,-0.0 -0.940 68.5 33.2-137.7 158.5 35.7 39.5 3.8 23 25 A G S S+ 0 0 56 -2,-0.3 30,-0.1 30,-0.2 29,-0.0 -0.785 96.8 29.2 105.6-146.0 34.4 41.1 7.0 24 26 A Q S S- 0 0 68 28,-0.4 30,-2.3 -2,-0.3 2,-0.2 -0.327 84.5-120.0 -56.2 125.4 30.9 41.9 8.1 25 27 A P E -c 54 0A 23 0, 0.0 71,-2.2 0, 0.0 2,-0.4 -0.465 29.3-173.8 -74.6 141.3 28.5 39.3 6.5 26 28 A V E -cd 55 96A 0 28,-2.5 30,-2.9 69,-0.2 2,-0.5 -0.996 11.3-151.9-134.4 124.4 25.7 40.5 4.2 27 29 A I E -cd 56 97A 3 69,-2.9 71,-3.1 -2,-0.4 2,-0.5 -0.881 6.8-157.7-101.6 124.7 23.1 38.1 2.8 28 30 A L E - d 0 98A 0 28,-2.9 2,-0.6 -2,-0.5 71,-0.2 -0.894 6.2-164.8-102.3 125.2 21.6 39.0 -0.6 29 31 A I E - d 0 99A 0 69,-3.2 71,-3.0 -2,-0.5 74,-0.2 -0.938 13.2-140.1-115.7 114.7 18.2 37.4 -1.3 30 32 A H - 0 0 0 -2,-0.6 73,-0.4 28,-0.5 8,-0.1 -0.064 16.9-110.9 -67.1 166.5 17.0 37.5 -4.9 31 33 A G - 0 0 0 71,-0.2 2,-0.3 6,-0.2 70,-0.1 -0.133 34.3 -97.6 -86.0-173.1 13.4 38.2 -6.1 32 34 A S + 0 0 12 31,-0.0 70,-0.1 -2,-0.0 -1,-0.1 -0.763 61.5 110.6-107.8 156.4 11.0 35.7 -7.7 33 35 A G S > S- 0 0 6 -2,-0.3 3,-1.7 3,-0.1 2,-0.2 -0.696 72.7 -57.5 153.1 156.1 10.4 35.3 -11.4 34 36 A P T 3 S+ 0 0 12 0, 0.0 142,-0.2 0, 0.0 141,-0.1 -0.389 121.5 3.3 -62.7 124.8 11.1 32.8 -14.2 35 37 A G T 3 S+ 0 0 8 1,-0.2 5,-0.1 140,-0.2 142,-0.1 0.431 91.5 153.4 81.8 -0.3 14.8 32.0 -14.5 36 38 A V < + 0 0 5 -3,-1.7 28,-1.2 4,-0.1 2,-0.3 -0.294 12.6 165.3 -64.5 145.3 15.8 34.2 -11.6 37 39 A S > - 0 0 0 26,-0.1 4,-2.1 27,-0.1 5,-0.2 -0.942 50.4-101.8-151.2 167.1 19.0 33.3 -9.7 38 40 A A H > S+ 0 0 0 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.909 121.5 47.4 -61.3 -42.8 21.3 35.0 -7.2 39 41 A Y H > S+ 0 0 58 -36,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.932 110.0 51.4 -65.4 -46.1 23.8 35.8 -9.8 40 42 A A H 4 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.909 117.8 40.1 -57.0 -43.2 21.3 37.2 -12.3 41 43 A N H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.848 127.9 28.3 -75.1 -37.5 19.9 39.5 -9.6 42 44 A W H >X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 3,-2.2 0.389 78.1 110.8-111.8 5.2 23.1 40.5 -7.9 43 45 A R T 3< S+ 0 0 118 -4,-2.2 -1,-0.1 1,-0.3 -3,-0.1 0.777 89.2 42.9 -50.3 -31.4 25.9 40.4 -10.6 44 46 A L T 34 S+ 0 0 60 -3,-0.2 -1,-0.3 -4,-0.2 4,-0.2 0.494 117.5 47.4 -94.0 -3.8 26.2 44.2 -10.5 45 47 A T T <> S+ 0 0 1 -3,-2.2 4,-2.4 2,-0.1 3,-0.3 0.804 97.8 63.4-103.0 -42.1 26.0 44.5 -6.7 46 48 A I H X S+ 0 0 13 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.894 98.8 55.3 -53.5 -47.3 28.4 41.9 -5.4 47 49 A P H 4 S+ 0 0 64 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.898 113.4 42.0 -55.2 -43.1 31.5 43.5 -6.9 48 50 A A H >4 S+ 0 0 30 -3,-0.3 3,-1.0 -4,-0.2 4,-0.2 0.959 120.0 40.0 -70.0 -53.4 30.8 46.8 -5.2 49 51 A L H >X S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 4,-1.9 0.852 105.2 65.3 -66.5 -36.4 29.7 45.5 -1.8 50 52 A S T 3< S+ 0 0 16 -4,-3.0 -28,-0.5 -5,-0.3 -1,-0.2 0.586 86.7 72.7 -64.8 -9.3 32.4 42.8 -1.6 51 53 A K T <4 S+ 0 0 138 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.725 118.6 15.5 -76.3 -19.0 35.0 45.5 -1.5 52 54 A F T <4 S+ 0 0 131 -3,-2.0 -28,-0.4 -4,-0.2 2,-0.3 0.506 128.8 37.4-129.6 -11.6 33.9 46.2 2.1 53 55 A Y S < S- 0 0 17 -4,-1.9 2,-0.8 -30,-0.1 -31,-0.3 -0.890 79.9-104.1-138.9 166.7 31.8 43.2 3.2 54 56 A R E - c 0 25A 69 -30,-2.3 -28,-2.5 -2,-0.3 2,-0.6 -0.868 44.3-155.5 -92.9 114.4 31.6 39.5 2.9 55 57 A V E -Bc 20 26A 2 -35,-3.8 -35,-2.4 -2,-0.8 2,-0.5 -0.831 14.4-174.4-101.9 122.5 28.8 39.0 0.4 56 58 A I E +Bc 19 27A 0 -30,-2.9 -28,-2.9 -2,-0.6 -37,-0.2 -0.959 4.9 176.0-116.8 120.8 26.7 35.8 0.4 57 59 A A E -B 18 0A 0 -39,-2.4 -39,-1.6 -2,-0.5 2,-0.2 -0.883 9.4-176.3-128.2 99.5 24.1 35.3 -2.4 58 60 A P E -B 17 0A 0 0, 0.0 2,-0.7 0, 0.0 -28,-0.5 -0.588 31.5-117.5 -95.7 156.5 22.3 32.0 -2.5 59 61 A D - 0 0 0 -43,-2.9 -43,-0.3 -2,-0.2 3,-0.1 -0.834 39.9-126.0 -88.7 117.0 19.8 30.6 -4.9 60 62 A M > - 0 0 0 -2,-0.7 3,-2.6 1,-0.1 6,-0.3 -0.325 38.6 -83.1 -63.0 146.7 16.7 30.0 -2.8 61 63 A V T 3 S+ 0 0 0 1,-0.3 -1,-0.1 18,-0.1 7,-0.1 -0.265 121.6 29.0 -54.5 127.7 15.2 26.5 -2.9 62 64 A G T 3 S+ 0 0 1 5,-0.4 2,-0.3 1,-0.4 -1,-0.3 0.181 113.1 78.8 105.3 -14.6 13.1 26.2 -6.0 63 65 A F S X S- 0 0 6 -3,-2.6 3,-1.3 4,-0.1 -1,-0.4 -0.830 90.7 -13.3-123.4 161.0 15.1 28.8 -7.9 64 66 A G T 3 S- 0 0 1 -28,-1.2 -27,-0.1 -2,-0.3 -60,-0.1 -0.109 114.6 -30.7 52.4-140.1 18.4 28.8 -9.8 65 67 A F T 3 S+ 0 0 52 -62,-0.3 -1,-0.2 -49,-0.1 2,-0.2 0.175 97.5 116.6-101.5 17.1 20.7 25.9 -9.4 66 68 A T S < S- 0 0 1 -3,-1.3 -51,-0.2 -6,-0.3 -4,-0.2 -0.523 80.9 -85.5 -79.4 152.9 19.9 24.9 -5.8 67 69 A D - 0 0 83 -53,-2.9 -5,-0.4 -2,-0.2 -4,-0.1 -0.267 32.0-142.7 -59.5 146.4 18.4 21.4 -5.5 68 70 A R - 0 0 66 -7,-0.1 3,-0.1 -6,-0.1 -1,-0.1 -0.847 23.4-141.9-112.5 90.0 14.7 21.1 -6.0 69 71 A P > - 0 0 44 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.179 22.7-103.5 -53.4 139.8 13.6 18.4 -3.5 70 72 A E T 3 S+ 0 0 173 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.444 104.5 3.7 -66.9 136.5 10.9 16.0 -4.6 71 73 A N T 3 S+ 0 0 135 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.742 93.1 168.3 59.6 23.2 7.6 16.8 -3.0 72 74 A Y < - 0 0 58 -3,-1.7 2,-0.8 1,-0.1 -1,-0.2 -0.414 32.6-134.9 -67.8 143.8 9.2 19.9 -1.5 73 75 A N - 0 0 126 -3,-0.1 2,-0.3 -2,-0.1 5,-0.1 -0.855 14.4-149.6-106.6 100.3 6.7 22.3 0.1 74 76 A Y + 0 0 50 -2,-0.8 2,-0.3 4,-0.1 3,-0.1 -0.528 35.8 143.4 -70.8 126.0 7.5 25.9 -0.9 75 77 A S > - 0 0 44 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.982 62.6-106.4-158.0 160.6 6.5 28.3 1.8 76 78 A K H > S+ 0 0 48 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.944 121.8 47.9 -55.9 -48.9 7.5 31.5 3.5 77 79 A D H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.866 111.0 50.0 -62.3 -38.2 8.5 29.5 6.6 78 80 A S H > S+ 0 0 27 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.875 110.8 49.7 -69.1 -36.7 10.5 26.9 4.6 79 81 A W H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.885 109.5 51.3 -68.6 -37.0 12.4 29.6 2.7 80 82 A V H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.925 107.9 53.3 -63.5 -41.6 13.2 31.3 6.0 81 83 A D H X S+ 0 0 65 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.861 107.5 52.0 -59.8 -35.9 14.5 27.9 7.2 82 84 A H H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.936 108.4 49.3 -66.8 -46.6 16.6 27.8 4.1 83 85 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.938 114.2 45.3 -57.7 -48.0 18.2 31.3 4.8 84 86 A I H X S+ 0 0 8 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.891 110.9 54.2 -63.8 -38.0 18.9 30.3 8.4 85 87 A G H X S+ 0 0 9 -4,-2.3 4,-2.5 -5,-0.2 -74,-0.3 0.872 108.2 49.5 -63.2 -37.3 20.3 27.0 7.2 86 88 A I H X S+ 0 0 2 -4,-2.3 4,-1.6 -76,-0.2 -2,-0.2 0.922 112.4 47.5 -66.9 -44.9 22.7 28.8 4.9 87 89 A M H <>S+ 0 0 0 -4,-2.2 5,-3.1 2,-0.2 4,-0.3 0.926 113.3 48.3 -62.7 -44.4 23.8 31.1 7.7 88 90 A D H ><5S+ 0 0 94 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.932 109.0 53.4 -60.9 -46.6 24.3 28.1 10.0 89 91 A A H 3<5S+ 0 0 45 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.815 114.3 42.0 -58.4 -32.3 26.2 26.2 7.4 90 92 A L T 3<5S- 0 0 24 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.287 112.5-116.5 -99.5 9.1 28.6 29.1 6.9 91 93 A E T < 5 + 0 0 130 -3,-1.6 2,-1.0 -4,-0.3 -3,-0.2 0.855 59.3 156.4 58.4 36.9 28.9 29.9 10.7 92 94 A I < + 0 0 7 -5,-3.1 -1,-0.2 1,-0.2 3,-0.1 -0.831 16.6 178.0 -96.0 102.0 27.3 33.3 10.1 93 95 A E + 0 0 129 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.846 68.6 5.2 -74.7 -36.1 25.9 34.2 13.5 94 96 A K S S+ 0 0 98 -7,-0.1 2,-0.3 24,-0.0 -1,-0.3 -0.991 73.3 164.5-149.5 141.7 24.5 37.6 12.6 95 97 A A E - e 0 118A 0 22,-1.9 24,-2.6 -2,-0.3 -69,-0.2 -0.992 38.2-106.9-155.6 161.3 24.3 39.4 9.3 96 98 A H E -d 26 0A 1 -71,-2.2 -69,-2.9 -2,-0.3 2,-0.4 -0.586 38.5-149.1 -82.6 154.9 22.8 42.3 7.4 97 99 A I E -de 27 121A 0 23,-2.4 25,-2.2 -71,-0.2 2,-0.6 -0.997 13.9-163.3-133.9 133.6 20.2 41.2 4.8 98 100 A V E -de 28 122A 0 -71,-3.1 -69,-3.2 -2,-0.4 2,-0.6 -0.970 15.7-168.0-112.8 114.0 19.3 42.7 1.5 99 101 A G E -de 29 123A 0 23,-3.1 25,-2.7 -2,-0.6 2,-0.6 -0.918 6.2-157.8-111.4 117.2 15.9 41.4 0.3 100 102 A N E > - e 0 124A 0 -71,-3.0 3,-2.5 -2,-0.6 2,-0.2 -0.822 56.4 -58.8 -96.7 119.9 14.8 42.0 -3.3 101 103 A A T >> S+ 0 0 5 23,-3.4 26,-2.2 -2,-0.6 3,-1.6 -0.289 138.5 18.2 53.8-114.1 11.1 41.8 -3.9 102 104 A F H >> S+ 0 0 5 1,-0.3 4,-1.7 2,-0.2 3,-0.7 0.916 129.2 56.1 -49.2 -45.1 10.1 38.2 -2.9 103 105 A G H <> S+ 0 0 0 -3,-2.5 4,-2.0 -73,-0.4 -1,-0.3 0.750 98.8 60.9 -61.3 -24.9 13.4 38.2 -1.0 104 106 A G H <> S+ 0 0 0 -3,-1.6 4,-2.2 20,-0.3 -1,-0.3 0.881 102.7 50.0 -70.0 -37.7 12.3 41.3 0.9 105 107 A G H X + 0 0 73 -4,-2.7 3,-2.2 -5,-0.2 4,-0.6 -0.407 69.5 159.5-133.4 56.8 15.3 35.0 14.2 115 117 A S G >4 S+ 0 0 47 -3,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.831 74.2 56.8 -49.0 -40.4 15.7 38.6 15.4 116 118 A E G 34 S+ 0 0 146 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.639 103.2 54.9 -71.2 -12.1 19.1 37.9 16.9 117 119 A R G <4 S+ 0 0 48 -3,-2.2 -22,-1.9 -7,-0.2 2,-0.5 0.575 98.9 72.8 -95.0 -11.0 20.5 36.6 13.6 118 120 A V E << +e 95 0A 3 -3,-1.0 -22,-0.2 -4,-0.6 3,-0.1 -0.908 49.2 170.3-112.9 129.9 19.6 39.8 11.7 119 121 A D E - 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0 0 19 -2,-1.6 2,-0.2 1,-0.1 3,-0.1 -0.417 45.6 -92.8 -78.0 155.0 -1.0 44.8 -1.5 132 134 A D - 0 0 136 1,-0.1 -1,-0.1 -2,-0.1 62,-0.0 -0.503 51.3 -96.9 -69.6 132.8 -3.6 44.1 -4.1 133 135 A V - 0 0 57 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.164 41.9-146.1 -51.1 135.9 -2.3 41.8 -6.9 134 136 A T > - 0 0 33 90,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.676 21.8-118.7-103.1 158.7 -1.1 43.8 -9.9 135 137 A E H > S+ 0 0 139 -2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.869 116.8 57.9 -64.5 -32.4 -1.3 42.7 -13.6 136 138 A G H > S+ 0 0 8 87,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.929 108.6 43.3 -62.2 -45.2 2.5 43.0 -13.6 137 139 A L H > S+ 0 0 10 86,-0.4 4,-2.9 87,-0.4 5,-0.4 0.908 112.2 52.2 -68.7 -40.6 2.8 40.4 -10.8 138 140 A N H X S+ 0 0 36 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.844 110.5 50.1 -65.5 -29.4 0.2 38.1 -12.2 139 141 A A H < S+ 0 0 16 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.912 112.8 45.9 -72.5 -42.7 2.1 38.2 -15.5 140 142 A V H >< S+ 0 0 2 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.965 119.5 38.6 -65.0 -53.2 5.4 37.4 -13.8 141 143 A W H 3< S+ 0 0 12 -4,-2.9 48,-0.2 1,-0.2 -1,-0.2 0.786 117.6 51.6 -69.8 -25.0 4.1 34.6 -11.6 142 144 A G T 3< S+ 0 0 28 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.262 82.9 140.4 -95.1 12.8 1.8 33.3 -14.5 143 145 A Y < - 0 0 8 -3,-1.2 -3,-0.1 -4,-0.1 -4,-0.0 -0.220 30.3-173.0 -58.6 140.7 4.7 33.2 -17.0 144 146 A T - 0 0 83 2,-0.1 5,-0.1 -110,-0.0 -2,-0.0 -0.973 42.0 -83.7-130.6 140.8 4.9 30.3 -19.5 145 147 A P S S+ 0 0 47 0, 0.0 2,-0.2 0, 0.0 3,-0.1 -0.184 71.4 112.9 -54.9 131.5 8.1 30.1 -21.7 146 148 A S > - 0 0 33 1,-0.1 4,-2.3 24,-0.0 5,-0.2 -0.760 66.6-115.8 173.1 145.3 8.5 32.1 -25.0 147 149 A I H > S+ 0 0 99 -2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.871 117.9 51.0 -62.8 -33.2 10.8 34.9 -26.0 148 150 A E H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 109.2 49.0 -71.2 -38.2 7.7 37.2 -26.4 149 151 A N H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.888 113.9 47.2 -67.9 -36.6 6.4 36.4 -22.9 150 152 A M H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.886 108.3 54.8 -70.5 -38.6 9.8 37.1 -21.5 151 153 A R H X S+ 0 0 58 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.903 108.0 50.7 -60.4 -39.8 10.1 40.3 -23.4 152 154 A N H X S+ 0 0 76 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.905 109.9 49.5 -64.4 -41.3 6.8 41.4 -21.9 153 155 A L H X S+ 0 0 8 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.925 110.0 49.9 -64.1 -43.9 8.1 40.5 -18.4 154 156 A L H X S+ 0 0 27 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.878 110.0 51.8 -62.1 -35.6 11.3 42.5 -19.0 155 157 A D H < S+ 0 0 22 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.884 108.3 51.9 -65.8 -38.3 9.2 45.4 -20.2 156 158 A I H < S+ 0 0 11 -4,-2.1 67,-0.6 1,-0.2 94,-0.3 0.863 113.7 43.7 -65.3 -37.1 7.1 45.1 -17.0 157 159 A F H < S+ 0 0 22 -4,-2.1 93,-1.4 92,-0.1 94,-0.6 0.834 105.0 75.5 -76.8 -35.4 10.3 45.2 -14.9 158 160 A A < - 0 0 14 -4,-2.3 3,-0.2 91,-0.2 90,-0.1 -0.517 50.7-168.0 -88.1 147.5 12.0 48.0 -16.7 159 161 A Y S S+ 0 0 81 1,-0.3 2,-1.0 -2,-0.2 -1,-0.1 0.844 92.7 50.3 -88.9 -47.7 11.4 51.8 -16.7 160 162 A D S > S- 0 0 68 1,-0.2 3,-1.9 87,-0.1 -1,-0.3 -0.798 70.8-169.8 -94.7 98.9 13.6 52.3 -19.7 161 163 A R G > S+ 0 0 142 -2,-1.0 3,-2.1 1,-0.3 -1,-0.2 0.673 76.8 80.5 -63.7 -16.5 12.4 49.7 -22.3 162 164 A S G 3 S+ 0 0 86 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.733 84.8 63.7 -62.3 -19.2 15.5 50.4 -24.5 163 165 A L G < S+ 0 0 86 -3,-1.9 2,-1.3 1,-0.1 -1,-0.3 0.672 82.2 88.2 -76.6 -18.4 17.3 48.1 -22.1 164 166 A V < + 0 0 12 -3,-2.1 2,-0.2 -4,-0.2 -1,-0.1 -0.693 63.0 171.3 -86.6 94.7 15.0 45.3 -23.2 165 167 A T > - 0 0 69 -2,-1.3 4,-2.4 1,-0.1 5,-0.2 -0.547 48.0-112.4-100.1 166.5 16.9 43.8 -26.2 166 168 A D H > S+ 0 0 115 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.885 119.6 54.0 -63.5 -38.0 16.2 40.7 -28.3 167 169 A E H > S+ 0 0 85 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.917 109.2 46.5 -62.4 -45.0 19.5 39.3 -26.9 168 170 A L H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.918 112.8 49.0 -64.8 -44.3 18.4 39.9 -23.3 169 171 A A H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.919 113.1 48.9 -60.8 -42.3 14.9 38.4 -23.9 170 172 A R H X S+ 0 0 115 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.920 111.9 47.6 -63.1 -46.8 16.6 35.4 -25.5 171 173 A L H X S+ 0 0 81 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.911 114.8 44.7 -63.4 -43.8 19.0 34.9 -22.7 172 174 A R H X S+ 0 0 47 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.843 110.9 54.8 -71.0 -31.8 16.4 35.1 -20.0 173 175 A Y H X S+ 0 0 67 -4,-2.1 4,-1.1 -5,-0.3 -2,-0.2 0.955 108.7 48.6 -63.1 -49.0 14.1 32.9 -22.0 174 176 A E H >< S+ 0 0 101 -4,-2.5 3,-0.6 1,-0.2 4,-0.2 0.888 109.2 52.6 -58.8 -38.9 16.8 30.2 -22.1 175 177 A A H >< S+ 0 0 6 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.904 106.2 55.6 -63.7 -37.5 17.4 30.6 -18.4 176 178 A S H 3< S+ 0 0 1 -4,-2.0 6,-0.4 1,-0.2 -1,-0.2 0.707 106.1 49.8 -69.2 -21.1 13.7 30.0 -17.8 177 179 A I T << S+ 0 0 79 -4,-1.1 -1,-0.2 -3,-0.6 3,-0.2 0.284 76.2 129.1-103.2 12.7 13.6 26.7 -19.6 178 180 A Q S X> S- 0 0 36 -3,-1.2 3,-2.1 -4,-0.2 4,-0.6 -0.287 80.2 -63.9 -62.4 153.9 16.5 25.0 -18.0 179 181 A P T 34 S- 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.110 119.4 -6.0 -44.0 120.2 15.6 21.5 -16.6 180 182 A G T 3> S+ 0 0 28 -3,-0.2 4,-2.2 1,-0.1 5,-0.3 0.241 103.1 109.6 79.2 -13.1 13.0 21.7 -13.9 181 183 A F H <> S+ 0 0 14 -3,-2.1 4,-2.5 2,-0.2 5,-0.2 0.956 81.5 37.5 -60.1 -58.3 13.0 25.5 -13.7 182 184 A Q H X S+ 0 0 28 -4,-0.6 4,-2.7 -6,-0.4 5,-0.2 0.857 114.5 58.8 -64.5 -34.1 9.5 26.2 -15.2 183 185 A E H > S+ 0 0 124 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.929 112.3 36.8 -61.6 -47.5 8.1 23.1 -13.5 184 186 A S H X S+ 0 0 12 -4,-2.2 4,-0.9 2,-0.2 3,-0.4 0.920 118.0 51.2 -72.6 -42.6 9.0 24.3 -10.0 185 187 A F H >X S+ 0 0 5 -4,-2.5 3,-0.9 -5,-0.3 4,-0.9 0.923 109.0 49.3 -60.3 -47.6 8.3 28.0 -10.7 186 188 A S H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.731 109.7 53.8 -65.8 -21.4 4.8 27.3 -12.1 187 189 A S H 3< S+ 0 0 69 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.648 98.6 67.7 -85.8 -17.2 4.0 25.2 -9.1 188 190 A M H << S+ 0 0 14 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.1 0.933 109.7 20.9 -70.2 -50.2 5.0 28.0 -6.6 189 191 A F S < S+ 0 0 7 -4,-0.9 -1,-0.2 -48,-0.2 -2,-0.1 -0.412 76.6 172.7-124.4 60.2 2.3 30.6 -7.1 190 192 A P - 0 0 50 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.229 42.2 -46.7 -67.3 154.5 -0.8 29.2 -8.7 191 193 A E S S+ 0 0 107 1,-0.1 2,-0.1 2,-0.1 -53,-0.0 -0.325 119.0 51.4 -62.4 142.3 -4.1 31.1 -9.2 192 194 A P S > S- 0 0 76 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.396 73.0-177.7 -77.6 131.3 -5.5 32.8 -7.3 193 195 A R T >> + 0 0 33 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.612 67.0 80.7 -76.5 -11.3 -2.2 34.6 -6.7 194 196 A Q H 3> S+ 0 0 49 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.851 84.9 66.7 -60.7 -31.7 -3.4 37.0 -4.0 195 197 A R H <> S+ 0 0 107 -3,-0.9 4,-1.9 1,-0.2 -1,-0.3 0.844 101.1 46.4 -55.8 -37.7 -3.0 34.1 -1.6 196 198 A W H <> S+ 0 0 68 -3,-1.0 4,-1.8 -4,-0.3 -1,-0.2 0.785 107.8 53.9 -79.8 -30.0 0.7 34.1 -2.1 197 199 A I H X S+ 0 0 5 -4,-1.2 4,-0.9 2,-0.2 -69,-0.3 0.953 114.1 44.8 -64.9 -47.8 1.1 37.9 -1.7 198 200 A D H < S+ 0 0 40 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.889 111.5 51.8 -62.2 -41.5 -0.7 37.4 1.6 199 201 A A H < S+ 0 0 47 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.839 110.4 48.7 -65.6 -34.4 1.3 34.4 2.6 200 202 A L H < S+ 0 0 7 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.639 99.4 91.9 -79.5 -15.5 4.6 36.2 2.0 201 203 A A < - 0 0 7 -4,-0.9 2,-0.3 -3,-0.5 -72,-0.2 -0.333 65.5-143.8 -80.2 161.3 3.4 39.2 4.0 202 204 A S - 0 0 12 -74,-2.7 -72,-0.2 -2,-0.1 -2,-0.1 -0.891 32.1 -97.0-119.3 152.3 3.9 39.8 7.7 203 205 A S > - 0 0 48 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.322 24.7-120.6 -70.7 152.8 1.2 41.5 9.9 204 206 A D H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 115.3 54.7 -55.5 -45.6 1.4 45.2 10.7 205 207 A E H 4 S+ 0 0 117 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.911 111.3 43.2 -55.5 -46.9 1.6 44.3 14.4 206 208 A D H >4 S+ 0 0 82 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.933 111.7 52.6 -67.1 -46.5 4.6 42.1 13.8 207 209 A I H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.891 101.3 61.8 -57.5 -39.3 6.4 44.5 11.5 208 210 A K T 3< S+ 0 0 118 -4,-2.5 -1,-0.3 1,-0.3 30,-0.3 0.712 96.9 60.7 -60.4 -20.2 6.0 47.3 14.0 209 211 A T T < S+ 0 0 92 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.575 73.9 117.8 -84.6 -9.6 8.1 45.2 16.5 210 212 A L < - 0 0 4 -3,-1.9 28,-0.5 -4,-0.4 29,-0.4 -0.423 41.5-173.7 -62.7 120.1 11.2 45.1 14.2 211 213 A P + 0 0 90 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.558 45.1 116.7 -90.8 -9.3 14.1 46.9 16.0 212 214 A N S S- 0 0 12 1,-0.1 2,-0.3 -101,-0.1 27,-0.3 -0.275 74.8-113.0 -65.8 141.5 16.5 46.7 13.0 213 215 A E - 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