==== 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 1UK7 . 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) . 11539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 72.3 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 . 1 0.4 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 . 26 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.4 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 1 2 0 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 0 115 0, 0.0 3,-1.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.3 27.3 29.3 -16.5 2 4 A L T 3 + 0 0 126 1,-0.3 37,-0.0 37,-0.0 0, 0.0 0.610 360.0 72.6 -63.7 -12.9 28.2 32.1 -14.1 3 5 A E T 3 S+ 0 0 18 36,-0.1 2,-0.6 2,-0.1 36,-0.3 0.684 84.1 78.7 -75.8 -17.3 24.9 31.7 -12.3 4 6 A I < + 0 0 92 -3,-1.9 3,-0.1 1,-0.1 60,-0.0 -0.816 61.1 151.8 -92.6 124.9 26.2 28.4 -10.8 5 7 A G - 0 0 38 -2,-0.6 13,-0.2 1,-0.4 2,-0.2 0.271 47.8 -22.0-117.7-116.3 28.6 29.1 -7.9 6 8 A K E -A 17 0A 104 11,-3.2 11,-2.3 2,-0.0 -1,-0.4 -0.568 56.4-134.6 -99.2 165.6 29.5 27.1 -4.8 7 9 A S E +A 16 0A 76 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.968 27.1 161.5-126.4 139.8 27.5 24.4 -3.2 8 10 A I E -A 15 0A 35 7,-1.7 7,-3.3 -2,-0.4 2,-0.6 -0.991 41.1-110.9-154.6 147.2 26.6 23.7 0.4 9 11 A L E +A 14 0A 115 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.710 42.6 172.9 -81.5 120.7 24.1 21.7 2.4 10 12 A A E > -A 13 0A 1 3,-2.4 3,-2.3 -2,-0.6 76,-0.2 -0.983 66.7 -15.4-134.8 122.8 21.7 24.1 4.1 11 13 A A T 3 S- 0 0 56 -2,-0.4 -1,-0.1 74,-0.3 3,-0.1 0.858 129.0 -55.6 54.6 34.3 18.5 23.1 6.0 12 14 A G T 3 S+ 0 0 64 1,-0.2 2,-0.5 73,-0.1 -1,-0.3 0.508 117.8 111.5 78.6 5.0 18.9 19.7 4.3 13 15 A V E < S-A 10 0A 6 -3,-2.3 -3,-2.4 69,-0.1 2,-0.5 -0.945 73.4-121.8-117.3 129.1 18.9 21.2 0.8 14 16 A L E -A 9 0A 76 -2,-0.5 53,-2.9 -5,-0.2 2,-0.4 -0.550 43.1-158.7 -66.6 116.9 21.9 21.2 -1.5 15 17 A T E -A 8 0A 1 -7,-3.3 -7,-1.7 -2,-0.5 2,-0.4 -0.871 19.1-145.3-114.0 133.4 22.2 25.0 -2.1 16 18 A N E +A 7 0A 9 -2,-0.4 43,-2.8 43,-0.3 2,-0.3 -0.752 38.0 155.6 -88.9 132.6 23.9 27.0 -4.9 17 19 A Y E -AB 6 58A 22 -11,-2.3 -11,-3.2 -2,-0.4 2,-0.4 -0.989 38.9-129.7-155.7 163.7 25.4 30.2 -3.6 18 20 A H E - B 0 57A 24 39,-1.8 39,-2.4 -2,-0.3 2,-0.4 -0.914 17.7-174.1-116.5 145.1 27.9 33.0 -4.2 19 21 A D E + B 0 56A 24 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.895 15.3 160.5-143.8 105.6 30.3 34.1 -1.4 20 22 A V E + B 0 55A 65 35,-2.3 35,-3.6 -2,-0.4 2,-0.1 -0.994 39.5 15.6-133.6 135.4 32.5 37.1 -2.2 21 23 A G - 0 0 30 -2,-0.4 2,-0.3 33,-0.3 33,-0.3 -0.286 66.8-100.2 100.0 174.0 34.4 39.5 0.1 22 24 A E + 0 0 172 28,-0.5 2,-0.3 31,-0.4 -2,-0.0 -0.935 68.6 35.2-136.4 158.7 35.5 39.6 3.7 23 25 A G S S+ 0 0 56 -2,-0.3 30,-0.2 30,-0.2 29,-0.0 -0.784 97.1 24.9 106.6-148.1 34.3 41.2 6.9 24 26 A Q S S- 0 0 69 28,-0.4 30,-2.2 -2,-0.3 2,-0.2 -0.339 84.6-117.8 -57.7 128.3 30.7 41.9 8.1 25 27 A P E -c 54 0A 19 0, 0.0 71,-2.2 0, 0.0 2,-0.4 -0.465 29.4-173.7 -75.7 141.7 28.3 39.5 6.5 26 28 A V E -cd 55 96A 0 28,-2.4 30,-3.1 69,-0.2 2,-0.5 -0.996 11.0-152.5-134.2 124.1 25.5 40.6 4.2 27 29 A I E -cd 56 97A 3 69,-2.8 71,-2.9 -2,-0.4 2,-0.5 -0.880 6.5-158.5-101.7 125.1 22.9 38.2 2.8 28 30 A L E - d 0 98A 0 28,-3.0 2,-0.5 -2,-0.5 71,-0.2 -0.903 5.4-164.0-103.7 126.2 21.3 39.1 -0.5 29 31 A I E - d 0 99A 0 69,-3.0 71,-2.9 -2,-0.5 74,-0.2 -0.946 12.9-141.6-115.6 116.7 18.0 37.5 -1.2 30 32 A H - 0 0 0 -2,-0.5 73,-0.4 28,-0.5 8,-0.1 0.022 17.7-102.2 -68.4 173.9 16.7 37.5 -4.8 31 33 A G - 0 0 5 6,-0.2 -1,-0.1 71,-0.2 70,-0.1 -0.023 28.8-108.7 -84.5-167.0 13.2 38.0 -6.3 32 34 A S + 0 0 13 31,-0.0 3,-0.1 2,-0.0 69,-0.0 0.003 63.1 127.1-121.3 31.6 10.7 35.4 -7.6 33 35 A G S > S- 0 0 11 1,-0.1 3,-1.7 4,-0.1 2,-0.2 -0.328 71.8 -75.6 -82.6 168.8 10.5 35.9 -11.4 34 36 A P T 3 S+ 0 0 14 0, 0.0 142,-0.2 0, 0.0 -1,-0.1 -0.436 118.7 9.2 -65.8 131.7 10.9 33.1 -13.9 35 37 A G T 3 S+ 0 0 9 1,-0.2 5,-0.1 141,-0.2 142,-0.1 0.454 92.6 154.7 80.1 0.8 14.6 32.1 -14.4 36 38 A V < + 0 0 12 -3,-1.7 28,-1.2 4,-0.1 2,-0.3 -0.232 12.0 165.5 -63.1 149.2 15.6 34.2 -11.4 37 39 A S > - 0 0 0 26,-0.1 4,-1.9 27,-0.1 5,-0.2 -0.951 50.1-101.8-154.9 166.0 18.8 33.4 -9.5 38 40 A A H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.922 122.0 45.8 -60.7 -44.4 21.1 35.0 -7.0 39 41 A Y H > S+ 0 0 71 -36,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.936 109.9 53.5 -65.4 -45.6 23.7 35.9 -9.7 40 42 A A H 4 S+ 0 0 20 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.886 117.3 38.1 -56.5 -41.2 21.1 37.2 -12.2 41 43 A N H < S+ 0 0 20 -4,-1.9 3,-0.2 1,-0.1 -1,-0.2 0.856 128.1 30.8 -78.1 -37.3 19.7 39.6 -9.6 42 44 A W H >X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 3,-1.6 0.350 76.5 110.6-110.9 7.7 22.9 40.6 -7.9 43 45 A R T 3< S+ 0 0 98 -4,-2.1 -1,-0.1 1,-0.3 -3,-0.1 0.774 90.1 41.5 -53.1 -30.1 25.7 40.5 -10.5 44 46 A L T 34 S+ 0 0 63 -3,-0.2 -1,-0.3 -4,-0.1 4,-0.3 0.515 117.5 48.2 -96.4 -5.6 26.0 44.3 -10.4 45 47 A T T <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.1 3,-0.4 0.821 99.5 61.4 -99.5 -43.5 25.6 44.6 -6.6 46 48 A I H X S+ 0 0 14 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.889 99.6 55.5 -54.0 -46.7 28.1 42.0 -5.3 47 49 A P H 4 S+ 0 0 65 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.896 112.7 42.8 -56.3 -41.1 31.2 43.7 -6.9 48 50 A A H >4 S+ 0 0 31 -3,-0.4 3,-0.9 -4,-0.3 -2,-0.2 0.947 119.9 40.0 -70.5 -50.3 30.5 47.0 -5.1 49 51 A L H >X S+ 0 0 0 -4,-2.4 3,-2.2 1,-0.2 4,-1.9 0.856 104.0 66.9 -69.4 -36.3 29.5 45.6 -1.7 50 52 A S T 3< S+ 0 0 16 -4,-3.1 -28,-0.5 1,-0.3 -1,-0.2 0.580 86.5 71.9 -63.5 -8.6 32.2 42.9 -1.6 51 53 A K T <4 S+ 0 0 141 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.697 118.6 16.1 -78.8 -16.9 34.8 45.6 -1.4 52 54 A F T <4 S+ 0 0 134 -3,-2.2 -28,-0.4 -4,-0.2 2,-0.3 0.495 128.8 36.8-130.5 -11.9 33.7 46.3 2.2 53 55 A Y S < S- 0 0 16 -4,-1.9 2,-0.8 -30,-0.2 -31,-0.4 -0.894 79.2-105.0-139.4 166.9 31.6 43.3 3.2 54 56 A R E - c 0 25A 65 -30,-2.2 -28,-2.4 -2,-0.3 2,-0.6 -0.876 44.1-154.5 -93.6 115.1 31.4 39.6 2.9 55 57 A V E -Bc 20 26A 1 -35,-3.6 -35,-2.3 -2,-0.8 2,-0.5 -0.828 13.8-172.1-101.5 121.2 28.6 39.1 0.5 56 58 A I E +Bc 19 27A 0 -30,-3.1 -28,-3.0 -2,-0.6 -37,-0.2 -0.942 6.1 175.9-112.5 122.3 26.5 35.9 0.5 57 59 A A E -B 18 0A 0 -39,-2.4 -39,-1.8 -2,-0.5 2,-0.2 -0.871 9.5-178.5-129.9 98.6 24.0 35.4 -2.3 58 60 A P E -B 17 0A 1 0, 0.0 2,-0.7 0, 0.0 -28,-0.5 -0.628 32.1-117.8 -97.2 154.7 22.1 32.0 -2.4 59 61 A D - 0 0 0 -43,-2.8 -43,-0.3 -2,-0.2 3,-0.1 -0.806 39.2-125.6 -87.5 120.3 19.6 30.6 -4.8 60 62 A M > - 0 0 0 -2,-0.7 3,-2.5 1,-0.1 6,-0.3 -0.389 38.1 -84.8 -66.2 144.4 16.5 30.1 -2.6 61 63 A V T 3 S+ 0 0 0 1,-0.3 -1,-0.1 18,-0.1 7,-0.1 -0.234 120.7 29.9 -52.7 129.4 15.0 26.6 -2.7 62 64 A G T 3 S+ 0 0 2 5,-0.5 2,-0.3 1,-0.4 -1,-0.3 0.227 114.3 76.0 102.7 -11.4 12.7 26.2 -5.7 63 65 A F S X S- 0 0 7 -3,-2.5 3,-1.3 4,-0.2 -1,-0.4 -0.838 90.3 -9.6-128.0 163.5 14.7 28.8 -7.7 64 66 A G T 3 S- 0 0 1 -28,-1.2 -27,-0.1 -2,-0.3 -60,-0.1 -0.110 114.6 -32.2 52.7-139.8 18.0 28.9 -9.6 65 67 A F T 3 S+ 0 0 49 -62,-0.3 -1,-0.2 -49,-0.1 2,-0.2 0.198 98.8 116.2-102.9 15.5 20.4 26.0 -9.3 66 68 A T S < S- 0 0 2 -3,-1.3 -51,-0.2 -6,-0.3 -4,-0.2 -0.512 81.0 -84.7 -78.3 152.7 19.6 25.0 -5.7 67 69 A D - 0 0 82 -53,-2.9 -5,-0.5 -2,-0.2 -4,-0.2 -0.240 31.5-144.4 -58.7 146.8 18.1 21.5 -5.4 68 70 A R - 0 0 66 -7,-0.1 3,-0.1 -6,-0.1 -1,-0.1 -0.831 22.9-144.0-115.2 87.0 14.4 21.2 -5.9 69 71 A P > - 0 0 43 0, 0.0 3,-1.7 0, 0.0 2,-0.1 -0.196 23.5-102.5 -53.7 137.4 13.4 18.4 -3.4 70 72 A E T 3 S+ 0 0 175 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.410 104.5 2.3 -64.0 132.5 10.7 16.1 -4.5 71 73 A N T 3 S+ 0 0 152 1,-0.2 -1,-0.3 -2,-0.1 2,-0.1 0.790 90.8 174.9 60.5 29.5 7.4 16.9 -2.9 72 74 A Y < - 0 0 58 -3,-1.7 2,-1.1 1,-0.1 -1,-0.2 -0.449 31.0-131.1 -68.8 138.6 9.0 19.9 -1.1 73 75 A N - 0 0 121 -2,-0.1 2,-0.2 2,-0.0 5,-0.1 -0.763 23.4-158.2 -95.6 94.4 6.6 22.0 0.8 74 76 A Y + 0 0 53 -2,-1.1 2,-0.3 4,-0.1 3,-0.1 -0.522 29.9 137.0 -74.1 134.6 7.2 25.6 -0.2 75 77 A S > - 0 0 36 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.972 66.7 -97.2-167.5 165.2 6.1 28.3 2.2 76 78 A K H > S+ 0 0 52 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.936 125.1 47.8 -56.7 -46.7 7.2 31.5 3.9 77 79 A D H > S+ 0 0 83 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 110.3 50.3 -63.9 -38.6 8.3 29.6 6.9 78 80 A S H > S+ 0 0 20 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 110.8 49.7 -68.2 -37.5 10.2 27.0 4.9 79 81 A W H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.886 110.3 50.1 -68.3 -38.0 12.1 29.7 2.9 80 82 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.922 108.7 53.4 -64.1 -41.4 13.0 31.4 6.2 81 83 A D H X S+ 0 0 62 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.875 107.7 51.5 -59.5 -37.5 14.2 28.0 7.4 82 84 A H H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.932 108.7 49.9 -65.5 -45.3 16.4 27.8 4.3 83 85 A I H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.940 114.0 44.8 -58.5 -47.3 17.9 31.3 4.9 84 86 A I H X S+ 0 0 7 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.869 110.9 54.9 -65.4 -35.8 18.7 30.4 8.5 85 87 A G H X S+ 0 0 9 -4,-2.2 4,-2.5 -5,-0.2 -74,-0.3 0.871 108.0 49.1 -64.4 -36.7 20.1 27.0 7.3 86 88 A I H X S+ 0 0 2 -4,-2.3 4,-1.5 -76,-0.2 -2,-0.2 0.929 112.5 47.3 -67.8 -45.2 22.4 28.8 4.9 87 89 A M H <>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 4,-0.3 0.925 113.4 48.6 -62.3 -44.6 23.6 31.2 7.7 88 90 A D H ><5S+ 0 0 96 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.928 108.7 53.4 -60.3 -47.1 24.1 28.2 10.1 89 91 A A H 3<5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 114.3 42.2 -58.3 -30.5 26.0 26.3 7.4 90 92 A L T 3<5S- 0 0 24 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.293 112.0-116.7-100.8 8.7 28.4 29.2 7.0 91 93 A E T < 5 + 0 0 129 -3,-1.5 2,-1.0 -4,-0.3 -3,-0.2 0.828 59.1 157.3 59.4 33.7 28.7 30.0 10.7 92 94 A I < + 0 0 7 -5,-3.0 -1,-0.2 -6,-0.2 3,-0.1 -0.796 15.5 177.5 -91.4 100.4 27.1 33.4 10.0 93 95 A E + 0 0 126 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.855 68.1 4.4 -75.0 -36.2 25.7 34.3 13.5 94 96 A K S S+ 0 0 103 -7,-0.1 2,-0.3 24,-0.0 -1,-0.3 -0.980 73.9 167.0-150.4 136.4 24.3 37.7 12.6 95 97 A A E - e 0 118A 0 22,-2.1 24,-2.5 -2,-0.3 -69,-0.2 -0.973 36.5-110.0-149.2 162.1 24.1 39.5 9.3 96 98 A H E -d 26 0A 2 -71,-2.2 -69,-2.8 -2,-0.3 2,-0.4 -0.593 38.2-148.1 -84.3 156.5 22.6 42.4 7.4 97 99 A I E -de 27 121A 0 23,-2.5 25,-2.4 -71,-0.2 2,-0.6 -0.995 16.0-164.8-135.4 134.9 20.0 41.4 4.8 98 100 A V E -de 28 122A 0 -71,-2.9 -69,-3.0 -2,-0.4 2,-0.6 -0.974 16.8-168.0-114.9 114.5 19.1 42.9 1.5 99 101 A G E -de 29 123A 0 23,-3.2 25,-2.7 -2,-0.6 2,-0.7 -0.922 9.3-154.6-112.7 120.8 15.7 41.5 0.3 100 102 A N E > - e 0 124A 6 -71,-2.9 3,-2.5 -2,-0.6 2,-0.4 -0.820 56.9 -65.3 -96.3 110.5 14.5 42.0 -3.3 101 103 A A T >> S+ 0 0 7 23,-3.3 26,-2.5 -2,-0.7 4,-1.6 -0.327 138.6 23.5 55.5-107.7 10.7 41.9 -3.6 102 104 A F H 3> S+ 0 0 4 -2,-0.4 4,-1.7 1,-0.3 3,-0.4 0.923 128.6 52.9 -49.2 -45.0 9.9 38.2 -2.8 103 105 A G H <> S+ 0 0 0 -3,-2.5 4,-1.8 -73,-0.4 -1,-0.3 0.751 101.8 58.6 -64.6 -25.2 13.2 38.3 -0.9 104 106 A G H <> S+ 0 0 0 -3,-1.1 4,-2.2 20,-0.3 -1,-0.2 0.856 103.9 51.2 -72.4 -34.7 12.2 41.4 1.0 105 107 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.4 -2,-0.2 0.913 111.5 47.6 -66.9 -41.6 9.2 39.5 2.4 106 108 A L H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.850 109.0 54.9 -66.8 -34.3 11.5 36.7 3.5 107 109 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.935 109.5 46.2 -64.6 -46.8 13.8 39.2 5.1 108 110 A I H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.938 114.1 48.6 -60.5 -45.9 11.0 40.7 7.1 109 111 A A H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.857 111.2 50.1 -63.8 -35.8 9.8 37.2 8.1 110 112 A T H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.909 108.8 51.6 -69.4 -41.2 13.4 36.1 9.0 111 113 A A H < S+ 0 0 1 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.775 111.4 49.3 -66.2 -26.8 13.9 39.2 11.2 112 114 A L H < S+ 0 0 45 -4,-1.4 3,-0.4 -5,-0.2 -1,-0.2 0.872 119.6 34.0 -80.6 -39.9 10.6 38.5 13.0 113 115 A R H < S+ 0 0 98 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.769 134.0 27.7 -85.2 -29.4 11.3 34.8 13.8 114 116 A Y >X + 0 0 56 -4,-2.8 3,-2.2 -5,-0.2 4,-0.7 -0.415 68.2 158.1-130.9 56.9 15.1 35.1 14.3 115 117 A S G >4 S+ 0 0 51 -3,-0.4 3,-1.0 1,-0.3 -1,-0.1 0.841 73.9 58.8 -50.3 -38.7 15.5 38.7 15.5 116 118 A E G 34 S+ 0 0 117 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.705 103.3 53.1 -67.6 -17.8 18.9 37.9 17.0 117 119 A R G <4 S+ 0 0 36 -3,-2.2 -22,-2.1 -7,-0.2 2,-0.5 0.574 99.0 73.2 -93.1 -10.4 20.3 36.7 13.6 118 120 A V E << +e 95 0A 3 -3,-1.0 -22,-0.2 -4,-0.7 3,-0.1 -0.910 47.3 169.8-114.4 130.6 19.4 39.9 11.7 119 121 A D E - 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0 0 47 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.230 39.8 -48.0 -65.7 152.5 -0.9 29.2 -8.8 191 193 A E S S+ 0 0 105 1,-0.1 2,-0.1 2,-0.1 -53,-0.0 -0.310 118.7 52.1 -60.8 142.3 -4.1 31.2 -9.2 192 194 A P S > S- 0 0 74 0, 0.0 3,-1.0 0, 0.0 4,-0.3 0.367 72.7-178.5 -77.5 129.9 -5.6 32.9 -7.3 193 195 A R T >> + 0 0 30 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.626 67.1 80.2 -75.3 -12.4 -2.3 34.6 -6.7 194 196 A Q H 3> S+ 0 0 49 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.858 84.9 67.3 -60.3 -31.4 -3.5 37.1 -4.1 195 197 A R H <> S+ 0 0 107 -3,-1.0 4,-2.0 1,-0.2 -1,-0.3 0.853 100.4 46.7 -54.9 -39.1 -3.2 34.1 -1.7 196 198 A W H <> S+ 0 0 66 -3,-1.0 4,-2.0 -4,-0.3 -1,-0.2 0.800 108.4 53.0 -78.2 -30.5 0.6 34.2 -2.1 197 199 A I H X S+ 0 0 6 -4,-1.2 4,-1.0 2,-0.2 -69,-0.3 0.947 114.5 44.7 -66.1 -45.7 1.0 37.9 -1.6 198 200 A D H < S+ 0 0 42 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.882 112.3 51.4 -64.5 -39.6 -1.0 37.5 1.6 199 201 A A H < S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.854 110.5 48.3 -66.8 -35.7 1.0 34.4 2.6 200 202 A L H < S+ 0 0 8 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.658 97.9 94.8 -78.4 -17.3 4.4 36.2 2.1 201 203 A A < - 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