==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-02 1IUO . COMPND 2 MOLECULE: META-CLEAVAGE PRODUCT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR S.FUSHINOBU,T.SAKU,M.HIDAKA,S.-Y.JUN,H.NOJIRI,H.YAMANE, . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11696.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 72.1 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 4.0 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 . 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 . 25 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 32.4 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 0 117 0, 0.0 3,-2.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 105.3 27.3 29.4 -16.3 2 4 A L T 3 + 0 0 124 1,-0.3 37,-0.0 37,-0.0 0, 0.0 0.608 360.0 72.8 -63.2 -11.5 28.2 32.3 -13.9 3 5 A E T 3 S+ 0 0 22 36,-0.1 2,-0.5 2,-0.1 36,-0.3 0.679 82.8 81.2 -77.2 -15.9 24.9 31.8 -12.2 4 6 A I < + 0 0 91 -3,-2.1 3,-0.1 1,-0.1 2,-0.0 -0.796 56.8 156.2 -92.1 125.6 26.3 28.6 -10.6 5 7 A G - 0 0 34 -2,-0.5 13,-0.2 1,-0.4 2,-0.2 0.238 49.3 -33.9-114.8-120.5 28.5 29.3 -7.6 6 8 A K E -A 17 0A 148 11,-3.0 11,-2.2 -2,-0.0 2,-0.4 -0.607 54.0-126.4-104.9 168.6 29.3 27.0 -4.7 7 9 A S E +A 16 0A 73 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.918 28.9 166.0-118.4 142.2 27.2 24.3 -3.1 8 10 A I E -A 15 0A 34 7,-1.8 7,-3.5 -2,-0.4 2,-0.6 -0.990 38.5-115.0-152.8 144.8 26.3 23.8 0.5 9 11 A L E +A 14 0A 116 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.740 41.4 173.6 -82.8 120.7 23.8 21.8 2.5 10 12 A A E > -A 13 0A 1 3,-2.6 3,-2.1 -2,-0.6 76,-0.2 -0.982 66.8 -15.6-134.5 121.9 21.4 24.2 4.2 11 13 A A T 3 S- 0 0 55 -2,-0.4 -1,-0.1 74,-0.4 3,-0.1 0.852 129.3 -55.1 54.9 34.6 18.3 23.2 6.2 12 14 A G T 3 S+ 0 0 64 1,-0.2 2,-0.5 73,-0.1 -1,-0.3 0.529 117.4 114.2 78.4 6.3 18.7 19.8 4.5 13 15 A V E < S-A 10 0A 3 -3,-2.1 -3,-2.6 69,-0.1 2,-0.7 -0.938 72.3-123.0-116.4 129.5 18.7 21.3 1.0 14 16 A L E -A 9 0A 96 -2,-0.5 53,-2.9 -5,-0.2 2,-0.4 -0.566 43.3-161.2 -67.9 111.5 21.6 21.3 -1.4 15 17 A T E -A 8 0A 1 -7,-3.5 -7,-1.8 -2,-0.7 2,-0.4 -0.831 19.3-145.5-109.9 135.1 22.0 25.0 -2.0 16 18 A N E +A 7 0A 9 -2,-0.4 43,-2.7 43,-0.3 2,-0.3 -0.755 36.1 157.2 -90.8 136.6 23.7 27.0 -4.7 17 19 A Y E -AB 6 58A 21 -11,-2.2 -11,-3.0 -2,-0.4 2,-0.4 -0.997 37.7-130.0-158.8 160.5 25.2 30.3 -3.5 18 20 A H E - B 0 57A 23 39,-2.1 39,-2.5 -2,-0.3 2,-0.4 -0.886 17.4-172.3-114.0 145.0 27.8 33.0 -4.1 19 21 A D E + B 0 56A 54 -2,-0.4 2,-0.4 37,-0.2 37,-0.2 -0.910 15.2 162.4-142.1 105.9 30.2 34.2 -1.5 20 22 A V E + B 0 55A 63 35,-2.4 35,-3.6 -2,-0.4 2,-0.1 -0.992 39.6 11.4-133.6 134.2 32.3 37.3 -2.3 21 23 A G - 0 0 21 -2,-0.4 2,-0.3 33,-0.3 33,-0.3 -0.356 67.3 -98.1 100.3 179.1 34.3 39.6 -0.0 22 24 A E + 0 0 155 28,-0.6 2,-0.3 31,-0.4 -2,-0.0 -0.965 68.9 37.6-141.3 155.5 35.4 39.7 3.6 23 25 A G S S+ 0 0 56 -2,-0.3 30,-0.2 30,-0.2 29,-0.0 -0.836 96.3 21.9 111.4-148.1 34.2 41.3 6.8 24 26 A Q S S- 0 0 70 28,-0.4 30,-2.4 -2,-0.3 2,-0.2 -0.343 84.9-114.6 -59.1 132.5 30.6 41.9 8.1 25 27 A P E -c 54 0A 23 0, 0.0 71,-2.1 0, 0.0 2,-0.4 -0.509 30.6-174.0 -79.0 141.0 28.2 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 -0.998 10.6-153.5-131.6 125.2 25.4 40.7 4.2 27 29 A I E -cd 56 97A 2 69,-2.8 71,-2.8 -2,-0.4 2,-0.5 -0.888 6.0-158.9-103.7 125.4 22.8 38.3 2.8 28 30 A L E - d 0 98A 0 28,-2.9 2,-0.6 -2,-0.5 71,-0.2 -0.902 5.2-162.7-104.5 125.8 21.2 39.2 -0.5 29 31 A I E - d 0 99A 1 69,-3.2 71,-2.7 -2,-0.5 74,-0.2 -0.930 12.3-141.2-114.5 115.2 17.8 37.6 -1.2 30 32 A H - 0 0 0 -2,-0.6 73,-0.3 28,-0.5 8,-0.1 0.024 18.9-103.7 -66.0 172.3 16.5 37.5 -4.8 31 33 A G - 0 0 4 71,-0.2 70,-0.1 6,-0.2 -1,-0.1 -0.005 30.9-105.0 -83.5-165.8 13.0 38.0 -6.1 32 34 A S + 0 0 11 31,-0.0 3,-0.1 68,-0.0 69,-0.0 -0.007 65.3 130.7-117.7 30.4 10.5 35.4 -7.4 33 35 A G > - 0 0 12 1,-0.1 3,-1.6 4,-0.1 2,-0.1 -0.281 68.6 -78.4 -79.4 168.0 10.5 35.8 -11.2 34 36 A P T 3 S+ 0 0 12 0, 0.0 142,-0.2 0, 0.0 -1,-0.1 -0.448 116.6 8.3 -67.3 135.0 10.8 33.0 -13.8 35 37 A G T 3 S+ 0 0 9 141,-0.2 5,-0.1 140,-0.2 142,-0.1 0.507 93.7 157.5 75.0 4.9 14.5 31.9 -14.2 36 38 A V < + 0 0 13 -3,-1.6 28,-1.1 4,-0.1 2,-0.3 -0.219 12.1 168.0 -64.0 150.6 15.6 34.1 -11.3 37 39 A S > - 0 0 0 26,-0.1 4,-2.0 27,-0.1 5,-0.2 -0.959 49.1-104.6-155.2 160.7 18.8 33.3 -9.4 38 40 A A H > S+ 0 0 0 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.908 121.6 48.3 -57.0 -43.0 20.9 35.1 -6.9 39 41 A Y H > S+ 0 0 66 -36,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.921 107.9 52.8 -65.2 -45.7 23.5 36.0 -9.6 40 42 A A H 4 S+ 0 0 15 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.892 117.2 39.5 -57.3 -41.6 20.9 37.2 -12.1 41 43 A N H < S+ 0 0 26 -4,-2.0 3,-0.2 1,-0.2 -2,-0.2 0.860 128.0 28.9 -76.7 -38.7 19.5 39.6 -9.5 42 44 A W H >X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 3,-1.8 0.312 78.0 110.9-111.8 10.6 22.7 40.7 -7.8 43 45 A R T 3< S+ 0 0 89 -4,-1.9 -1,-0.1 1,-0.3 -3,-0.1 0.798 89.3 42.7 -54.6 -31.9 25.5 40.6 -10.4 44 46 A L T 34 S+ 0 0 70 -3,-0.2 -1,-0.3 -4,-0.2 4,-0.3 0.474 118.0 47.3 -93.5 -2.8 25.7 44.4 -10.5 45 47 A T T <> S+ 0 0 0 -3,-1.8 4,-2.2 2,-0.1 3,-0.3 0.810 98.9 62.1-103.1 -45.0 25.4 44.7 -6.7 46 48 A I H X S+ 0 0 12 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.901 97.8 58.1 -51.4 -49.4 27.9 42.1 -5.3 47 49 A P H 4 S+ 0 0 70 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.909 112.0 40.1 -49.3 -50.4 31.0 43.7 -6.8 48 50 A A H >4 S+ 0 0 25 -3,-0.3 3,-1.2 -4,-0.3 4,-0.3 0.946 119.3 43.9 -66.4 -51.3 30.4 47.1 -5.1 49 51 A L H >X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 3,-2.0 0.856 103.1 65.7 -63.6 -37.1 29.3 45.7 -1.7 50 52 A S T 3< S+ 0 0 24 -4,-3.2 -28,-0.6 1,-0.3 -1,-0.2 0.597 87.9 70.3 -63.6 -10.8 32.0 43.0 -1.6 51 53 A K T <4 S+ 0 0 165 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.697 118.2 18.5 -79.1 -17.0 34.7 45.7 -1.3 52 54 A F T <4 S+ 0 0 117 -3,-2.0 -28,-0.4 -4,-0.3 2,-0.3 0.533 129.3 32.3-125.6 -17.7 33.4 46.5 2.2 53 55 A Y S < S- 0 0 9 -4,-2.2 2,-0.7 -30,-0.2 -31,-0.4 -0.868 78.8-103.5-138.4 169.3 31.5 43.4 3.3 54 56 A R E - c 0 25A 62 -30,-2.4 -28,-2.4 -2,-0.3 2,-0.5 -0.884 44.4-153.1 -94.5 117.0 31.3 39.7 2.9 55 57 A V E -Bc 20 26A 2 -35,-3.6 -35,-2.4 -2,-0.7 2,-0.5 -0.838 14.2-171.6-101.9 123.8 28.4 39.2 0.5 56 58 A I E +Bc 19 27A 0 -30,-3.1 -28,-2.9 -2,-0.5 -37,-0.2 -0.953 6.9 175.0-112.5 123.0 26.3 36.0 0.5 57 59 A A E +B 18 0A 0 -39,-2.5 -39,-2.1 -2,-0.5 2,-0.2 -0.871 10.0 179.4-131.6 99.1 23.8 35.5 -2.3 58 60 A P E -B 17 0A 2 0, 0.0 2,-0.6 0, 0.0 -28,-0.5 -0.633 33.1-116.1 -99.7 159.1 22.0 32.1 -2.3 59 61 A D - 0 0 0 -43,-2.7 -43,-0.3 -2,-0.2 3,-0.1 -0.827 39.2-124.3 -90.0 119.9 19.3 30.7 -4.6 60 62 A M > - 0 0 0 -2,-0.6 3,-2.5 1,-0.1 6,-0.3 -0.325 38.7 -85.0 -63.5 147.9 16.2 30.2 -2.4 61 63 A V T 3 S+ 0 0 0 1,-0.3 7,-0.1 18,-0.1 -1,-0.1 -0.297 121.3 29.4 -56.7 131.9 14.9 26.6 -2.4 62 64 A G T 3 S+ 0 0 1 5,-0.7 2,-0.3 1,-0.3 -1,-0.3 0.273 115.3 77.6 98.7 -7.8 12.6 26.2 -5.4 63 65 A F S X S- 0 0 6 -3,-2.5 3,-1.4 4,-0.2 -1,-0.3 -0.864 88.3 -9.6-131.0 163.8 14.6 28.8 -7.4 64 66 A G T 3 S- 0 0 2 -28,-1.1 -27,-0.1 -2,-0.3 -60,-0.1 -0.119 115.6 -31.4 51.8-141.3 17.8 29.0 -9.3 65 67 A F T 3 S+ 0 0 58 -62,-0.2 -1,-0.2 -49,-0.0 2,-0.1 0.215 101.7 114.8 -98.2 14.9 20.2 26.2 -9.1 66 68 A T S < S- 0 0 1 -3,-1.4 -51,-0.2 -6,-0.3 -4,-0.2 -0.494 80.6 -86.5 -78.9 154.8 19.4 25.1 -5.6 67 69 A D - 0 0 84 -53,-2.9 -5,-0.7 -2,-0.1 -4,-0.2 -0.274 28.6-145.0 -63.7 149.0 17.8 21.6 -5.3 68 70 A R - 0 0 55 -7,-0.1 3,-0.1 -6,-0.1 -1,-0.1 -0.793 23.8-145.8-116.0 82.9 14.1 21.3 -5.7 69 71 A P > - 0 0 31 0, 0.0 3,-1.8 0, 0.0 2,-0.0 -0.180 23.3-103.1 -52.3 134.1 13.2 18.5 -3.2 70 72 A E T 3 S+ 0 0 179 1,-0.3 0, 0.0 2,-0.0 0, 0.0 -0.364 104.5 3.7 -60.6 134.4 10.4 16.1 -4.3 71 73 A N T 3 S+ 0 0 149 1,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.733 89.4 170.6 60.9 25.0 7.2 16.9 -2.3 72 74 A Y < - 0 0 55 -3,-1.8 2,-1.1 1,-0.1 -1,-0.2 -0.421 35.1-128.5 -66.2 140.8 8.9 19.9 -0.7 73 75 A N - 0 0 129 -2,-0.1 2,-0.2 2,-0.0 5,-0.1 -0.750 25.2-157.8 -96.4 92.0 6.4 22.1 1.3 74 76 A Y + 0 0 67 -2,-1.1 2,-0.3 4,-0.1 3,-0.1 -0.481 31.8 130.8 -71.1 133.4 7.0 25.6 0.0 75 77 A S > - 0 0 47 -2,-0.2 4,-2.7 1,-0.1 5,-0.3 -0.973 70.0 -92.0-171.6 165.8 5.9 28.4 2.4 76 78 A K H > S+ 0 0 52 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.928 126.9 46.3 -53.5 -47.0 6.9 31.6 4.1 77 79 A D H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 110.9 51.4 -67.4 -33.9 8.1 29.6 7.1 78 80 A S H > S+ 0 0 22 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.897 112.0 46.9 -69.3 -40.0 9.9 27.0 5.0 79 81 A W H X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.888 111.1 51.0 -68.3 -39.3 11.8 29.8 3.1 80 82 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.920 109.5 52.1 -62.4 -41.4 12.6 31.6 6.3 81 83 A D H X S+ 0 0 63 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.849 107.8 51.7 -62.6 -34.7 14.0 28.2 7.6 82 84 A H H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.933 108.8 49.9 -67.7 -45.5 16.1 27.9 4.4 83 85 A I H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.933 114.3 44.2 -57.6 -48.3 17.6 31.4 5.0 84 86 A I H X S+ 0 0 9 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.894 111.1 55.1 -64.4 -39.3 18.4 30.5 8.6 85 87 A G H X S+ 0 0 10 -4,-2.3 4,-2.4 -5,-0.2 -74,-0.4 0.856 108.0 49.6 -61.9 -34.6 19.7 27.2 7.5 86 88 A I H X S+ 0 0 2 -4,-2.2 4,-1.5 -76,-0.2 -2,-0.2 0.924 112.0 47.1 -69.7 -45.1 22.1 28.9 5.0 87 89 A M H <>S+ 0 0 0 -4,-2.2 5,-3.0 2,-0.2 -2,-0.2 0.916 113.5 48.7 -62.6 -43.6 23.3 31.3 7.7 88 90 A D H ><5S+ 0 0 94 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.940 108.7 53.4 -60.4 -48.3 23.8 28.4 10.1 89 91 A A H 3<5S+ 0 0 45 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 114.1 42.5 -57.4 -31.8 25.7 26.4 7.5 90 92 A L T 3<5S- 0 0 23 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.259 111.6-117.6-100.5 11.0 28.1 29.3 7.0 91 93 A E T < 5 + 0 0 130 -3,-1.8 2,-1.0 1,-0.2 -3,-0.2 0.829 59.6 155.5 56.8 33.8 28.5 30.1 10.7 92 94 A I < + 0 0 7 -5,-3.0 -1,-0.2 -6,-0.2 3,-0.1 -0.823 17.8 179.2 -94.3 103.8 26.9 33.6 10.1 93 95 A E + 0 0 127 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.879 67.8 4.6 -74.5 -41.1 25.5 34.5 13.5 94 96 A K S S+ 0 0 102 -7,-0.1 2,-0.3 24,-0.0 -1,-0.3 -0.992 74.3 168.7-146.2 139.1 24.1 37.9 12.7 95 97 A A E - e 0 118A 0 22,-2.1 24,-2.4 -2,-0.3 2,-0.2 -0.978 36.5-110.0-150.3 161.2 23.9 39.7 9.3 96 98 A H E -d 26 0A 1 -71,-2.1 -69,-2.8 -2,-0.3 2,-0.4 -0.614 38.7-148.9 -84.4 153.6 22.5 42.6 7.4 97 99 A I E -de 27 121A 0 23,-2.4 25,-2.6 -2,-0.2 2,-0.5 -0.994 15.2-166.6-133.4 133.4 19.8 41.5 4.8 98 100 A V E -de 28 122A 0 -71,-2.8 -69,-3.2 -2,-0.4 2,-0.5 -0.977 16.7-169.8-115.3 121.9 18.9 43.0 1.4 99 101 A G E -de 29 123A 0 23,-3.0 25,-2.8 -2,-0.5 2,-0.7 -0.956 15.3-150.8-123.5 128.7 15.6 41.6 0.0 100 102 A N E > - e 0 124A 5 -71,-2.7 3,-2.8 -2,-0.5 2,-0.2 -0.837 59.1 -69.1 -97.0 113.5 14.2 42.1 -3.4 101 103 A A T >> S+ 0 0 15 23,-3.1 4,-2.1 -2,-0.7 3,-1.0 -0.198 137.8 27.0 46.9-105.2 10.4 42.0 -3.5 102 104 A F H 3> S+ 0 0 13 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.926 128.0 49.9 -46.7 -48.3 9.7 38.3 -2.7 103 105 A G H <> S+ 0 0 0 -3,-2.8 4,-1.8 -73,-0.3 -1,-0.3 0.758 105.5 56.7 -64.2 -26.3 13.0 38.3 -0.9 104 106 A G H <> S+ 0 0 0 -3,-1.0 4,-2.1 20,-0.2 -1,-0.2 0.873 104.6 51.0 -72.9 -37.9 12.0 41.5 1.0 105 107 A G H X S+ 0 0 8 -4,-2.1 4,-2.1 -3,-0.2 -2,-0.2 0.903 111.8 48.5 -64.2 -38.9 9.0 39.8 2.4 106 108 A L H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.855 107.0 55.9 -68.3 -35.9 11.2 36.9 3.5 107 109 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.938 109.4 46.4 -61.2 -46.7 13.7 39.3 5.1 108 110 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.923 112.6 49.6 -61.3 -45.9 10.9 40.8 7.2 109 111 A A H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.862 111.7 48.9 -62.5 -37.2 9.6 37.3 8.2 110 112 A T H X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.914 109.3 51.9 -68.8 -42.7 13.1 36.2 9.2 111 113 A A H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.807 111.3 48.8 -63.4 -30.2 13.6 39.4 11.3 112 114 A L H < S+ 0 0 45 -4,-1.7 3,-0.4 -5,-0.2 -1,-0.2 0.871 120.6 33.8 -77.5 -39.5 10.3 38.7 13.1 113 115 A R H < S+ 0 0 98 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.802 134.0 27.5 -85.5 -32.1 11.1 35.0 13.8 114 116 A Y >X + 0 0 57 -4,-3.4 3,-2.2 -5,-0.2 4,-0.6 -0.438 68.4 159.1-128.8 58.6 14.8 35.4 14.3 115 117 A S G >4 S+ 0 0 49 -3,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.841 73.9 58.4 -49.9 -39.7 15.3 38.9 15.5 116 118 A E G 34 S+ 0 0 117 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.672 102.1 55.0 -68.0 -16.2 18.7 38.1 17.0 117 119 A R G <4 S+ 0 0 38 -3,-2.2 -22,-2.1 -7,-0.2 2,-0.4 0.593 99.2 69.7 -93.1 -11.3 20.0 36.9 13.6 118 120 A V E << +e 95 0A 2 -3,-1.1 -22,-0.2 -4,-0.6 3,-0.1 -0.919 47.8 169.7-115.6 131.7 19.3 40.1 11.7 119 121 A D E + 0 0 48 -24,-2.4 2,-0.2 -2,-0.4 -23,-0.2 0.674 65.9 2.3 -98.0-100.4 21.0 43.5 12.0 120 122 A R E - 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0 0 47 0, 0.0 6,-0.2 0, 0.0 5,-0.2 -0.194 37.9 -47.1 -64.8 153.9 -0.9 29.2 -8.7 191 193 A E S S+ 0 0 107 1,-0.1 2,-0.0 2,-0.1 -53,-0.0 -0.328 119.5 50.5 -62.9 142.2 -4.2 31.1 -9.2 192 194 A P S > S- 0 0 75 0, 0.0 3,-1.1 0, 0.0 4,-0.3 0.367 73.2-178.9 -78.8 128.8 -5.7 32.8 -7.3 193 195 A R T >> + 0 0 31 1,-0.2 4,-1.1 2,-0.2 3,-1.1 0.625 66.9 81.2 -73.4 -13.5 -2.4 34.5 -6.7 194 196 A Q H 3> S+ 0 0 40 1,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.827 83.9 68.1 -58.7 -29.4 -3.7 37.0 -4.1 195 197 A R H <> S+ 0 0 106 -3,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.860 98.3 48.3 -57.3 -39.1 -3.4 34.1 -1.7 196 198 A W H <> S+ 0 0 69 -3,-1.1 4,-2.1 -4,-0.3 -1,-0.2 0.804 108.2 52.1 -76.2 -30.5 0.4 34.2 -1.9 197 199 A I H X S+ 0 0 9 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.948 113.9 46.6 -67.4 -45.0 0.6 37.9 -1.4 198 200 A D H < S+ 0 0 69 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.861 114.0 46.7 -63.0 -38.8 -1.5 37.3 1.7 199 201 A A H < S+ 0 0 50 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.2 47.4 -73.8 -36.3 0.6 34.4 2.9 200 202 A L H < S+ 0 0 21 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.748 96.8 93.6 -77.1 -23.8 3.9 36.0 2.5 201 203 A A < - 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