==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-NOV-99 1DEO . COMPND 2 MOLECULE: RHAMNOGALACTURONAN ACETYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR A.MOLGAARD,S.KAUPPINEN,S.LARSEN . 233 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9784.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 3.4 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 . 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 . 12 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.7 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 0 2 0 1 0 0 0 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A T 0 0 96 0, 0.0 33,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 135.1 26.4 26.5 37.2 2 2 A T E -a 34 0A 30 31,-0.2 64,-2.5 60,-0.1 2,-0.5 -0.964 360.0-149.0-126.9 145.7 29.6 24.4 36.9 3 3 A V E -ab 35 66A 0 31,-2.9 33,-3.0 -2,-0.4 2,-0.4 -0.973 13.5-157.8-115.9 116.5 33.1 25.5 37.3 4 4 A Y E -ab 36 67A 24 62,-3.1 64,-3.0 -2,-0.5 2,-0.4 -0.824 4.4-155.5 -95.8 134.5 35.7 23.6 35.2 5 5 A L E -ab 37 68A 0 31,-2.5 33,-1.6 -2,-0.4 2,-0.4 -0.938 10.5-176.3-112.0 133.2 39.3 23.5 36.3 6 6 A A E + b 0 69A 0 62,-2.6 64,-2.5 -2,-0.4 2,-0.3 -0.997 35.4 98.8-128.4 124.9 42.3 22.9 34.0 7 7 A G - 0 0 0 -2,-0.4 33,-2.2 31,-0.2 64,-0.2 -0.932 58.7 -86.7-175.7-162.9 45.8 22.7 35.4 8 8 A D >> - 0 0 1 62,-0.5 4,-2.7 -2,-0.3 3,-1.8 -0.130 66.3 -54.0-113.5-156.4 48.6 20.4 36.5 9 9 A S T 34 S+ 0 0 8 31,-0.3 32,-0.1 1,-0.3 8,-0.1 0.645 127.3 64.8 -61.9 -19.6 49.7 18.6 39.7 10 10 A T T 34 S+ 0 0 6 30,-0.1 13,-2.5 12,-0.1 -1,-0.3 0.720 118.3 25.5 -76.9 -13.3 49.5 21.8 41.7 11 11 A M T <4 S+ 0 0 0 -3,-1.8 13,-1.1 11,-0.3 14,-0.4 0.660 103.5 101.7-115.7 -29.6 45.8 21.8 41.1 12 12 A A S >< S- 0 0 4 -4,-2.7 3,-2.1 1,-0.1 10,-1.0 -0.135 82.5 -93.4 -67.0 152.6 44.9 18.2 40.5 13 13 A K T 3 S+ 0 0 138 26,-0.4 28,-0.2 1,-0.3 -1,-0.1 -0.428 116.5 17.0 -60.1 130.2 43.3 15.6 42.8 14 14 A N T > S- 0 0 107 8,-0.2 3,-2.8 -2,-0.1 6,-0.4 0.553 97.6-142.3 78.0 10.5 46.2 13.7 44.5 15 15 A G T < - 0 0 6 -3,-2.1 26,-0.2 1,-0.3 -5,-0.1 0.002 67.0 -23.9 40.5-126.8 48.7 16.4 43.6 16 16 A G T 3 S- 0 0 33 1,-0.4 -1,-0.3 180,-0.2 5,-0.1 -0.007 102.8-106.8-103.2 28.9 52.1 15.0 42.7 17 17 A G S X S+ 0 0 32 -3,-2.8 3,-1.6 3,-0.3 -1,-0.4 -0.273 89.8 89.0 78.2-171.3 51.5 11.8 44.7 18 18 A S T 3 S- 0 0 98 1,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.838 124.1 -46.9 48.4 45.5 53.0 10.8 48.0 19 19 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 -5,-0.1 2,-0.2 0.648 108.1 124.4 77.4 11.9 50.4 12.4 50.2 20 20 A T < - 0 0 6 -3,-1.6 2,-0.3 -6,-0.4 -3,-0.3 -0.607 39.4-166.2 -97.4 164.1 50.4 15.8 48.3 21 21 A N - 0 0 26 175,-2.7 175,-0.3 -2,-0.2 2,-0.3 -0.955 18.0-110.9-147.2 165.0 47.2 17.3 46.9 22 22 A G > - 0 0 0 -10,-1.0 3,-1.5 -2,-0.3 -11,-0.3 -0.721 23.9-121.0-100.2 154.8 46.2 20.0 44.5 23 23 A W G > S+ 0 0 0 -13,-2.5 3,-1.8 -2,-0.3 -12,-0.2 0.718 104.7 72.6 -65.3 -22.8 44.4 23.3 45.3 24 24 A G G > S+ 0 0 3 -13,-1.1 3,-1.0 1,-0.3 4,-0.5 0.763 87.0 66.4 -64.1 -22.6 41.4 22.5 43.1 25 25 A E G < S+ 0 0 77 -3,-1.5 -1,-0.3 -14,-0.4 -2,-0.2 0.542 99.9 50.1 -75.6 -8.3 40.4 19.9 45.6 26 26 A Y G < S+ 0 0 47 -3,-1.8 -1,-0.2 175,-0.2 4,-0.2 0.279 90.0 79.8-114.2 9.0 39.6 22.7 48.2 27 27 A L S X S+ 0 0 0 -3,-1.0 3,-1.9 -4,-0.2 4,-0.3 0.857 75.6 68.8 -84.9 -41.4 37.5 25.0 46.1 28 28 A A G > S+ 0 0 55 -4,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.818 90.2 63.6 -51.5 -37.2 34.1 23.3 46.3 29 29 A S G 3 S+ 0 0 92 1,-0.3 -1,-0.3 3,-0.1 -2,-0.1 0.756 108.6 42.7 -58.1 -28.3 33.6 24.0 50.0 30 30 A Y G < S+ 0 0 47 -3,-1.9 194,-2.8 -4,-0.2 195,-0.5 0.342 104.6 72.2-102.4 2.0 33.6 27.8 49.2 31 31 A L B < -E 223 0B 11 -3,-1.4 192,-0.2 -4,-0.3 4,-0.1 -0.943 63.7-147.0-121.3 147.3 31.4 27.8 46.0 32 32 A S S S+ 0 0 93 190,-2.8 2,-0.2 -2,-0.4 191,-0.1 0.273 81.2 80.3 -91.3 13.6 27.7 27.4 45.6 33 33 A A S S- 0 0 15 189,-0.3 2,-0.3 -5,-0.1 -31,-0.2 -0.738 92.7 -93.3-116.9 162.0 28.4 25.8 42.2 34 34 A T E -a 2 0A 89 -33,-1.9 -31,-2.9 -2,-0.2 2,-0.5 -0.596 38.4-148.3 -73.5 131.0 29.5 22.3 41.1 35 35 A V E -a 3 0A 31 -2,-0.3 2,-0.6 -33,-0.2 -31,-0.2 -0.906 10.1-167.2-106.4 127.8 33.3 22.0 40.7 36 36 A V E -a 4 0A 45 -33,-3.0 -31,-2.5 -2,-0.5 2,-1.1 -0.953 10.6-153.0-114.5 107.2 34.8 19.7 38.1 37 37 A N E +a 5 0A 35 -2,-0.6 -24,-0.2 -33,-0.2 -31,-0.1 -0.716 27.1 161.7 -85.6 96.4 38.5 19.2 38.6 38 38 A D + 0 0 60 -33,-1.6 -31,-0.2 -2,-1.1 2,-0.1 0.122 31.1 126.3 -98.4 16.1 40.0 18.3 35.2 39 39 A A - 0 0 11 -33,-0.2 2,-0.4 -28,-0.1 -26,-0.4 -0.503 41.9-162.9 -71.9 147.8 43.6 19.2 36.2 40 40 A V > - 0 0 35 -33,-2.2 3,-1.5 -2,-0.1 -31,-0.3 -0.999 23.3-105.2-138.0 134.5 46.1 16.4 35.5 41 41 A A T 3 S+ 0 0 40 -2,-0.4 -25,-0.1 -33,-0.3 -33,-0.0 -0.233 99.5 16.7 -59.9 139.1 49.6 15.9 36.9 42 42 A G T 3 S+ 0 0 16 1,-0.2 -1,-0.2 43,-0.0 2,-0.2 0.412 89.9 133.2 82.6 -0.0 52.5 16.6 34.5 43 43 A R < - 0 0 66 -3,-1.5 31,-0.4 -36,-0.1 -1,-0.2 -0.565 33.4-168.9 -87.5 151.7 50.6 18.6 31.9 44 44 A S > - 0 0 0 -2,-0.2 4,-2.6 40,-0.2 5,-0.3 -0.670 47.0 -92.3-119.8 176.2 51.6 21.9 30.2 45 45 A A H > S+ 0 0 0 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.912 128.5 49.6 -59.6 -36.7 49.4 24.2 28.0 46 46 A R H > S+ 0 0 0 39,-0.5 4,-2.9 2,-0.2 5,-0.2 0.966 114.4 38.9 -66.4 -56.3 50.9 22.2 25.0 47 47 A S H > S+ 0 0 2 38,-0.3 4,-2.5 1,-0.2 6,-0.2 0.876 113.5 55.5 -67.9 -32.0 50.3 18.6 26.2 48 48 A Y H <>S+ 0 0 2 -4,-2.6 5,-2.0 2,-0.2 6,-0.7 0.902 113.4 43.4 -64.6 -39.5 46.9 19.5 27.7 49 49 A T H ><5S+ 0 0 53 -4,-1.6 3,-2.0 -5,-0.3 6,-0.3 0.961 113.9 49.7 -67.9 -50.1 45.9 20.8 24.3 50 50 A R H 3<5S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.835 106.3 56.1 -58.2 -37.0 47.5 17.8 22.4 51 51 A E T 3<5S- 0 0 72 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.469 116.2-114.6 -77.8 2.0 45.8 15.3 24.6 52 52 A G T <>5S+ 0 0 17 -3,-2.0 4,-2.0 -5,-0.1 -3,-0.2 0.627 75.9 131.5 75.7 18.9 42.4 16.8 23.7 53 53 A R H > S+ 0 0 7 -6,-0.7 4,-2.5 2,-0.2 -1,-0.2 0.903 113.0 53.8 -72.5 -40.1 40.7 21.6 26.4 55 55 A E H > S+ 0 0 118 -6,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.899 105.0 53.6 -59.3 -41.6 38.5 20.1 23.7 56 56 A N H X S+ 0 0 89 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.918 109.7 46.8 -60.2 -45.8 36.8 17.8 26.2 57 57 A I H X S+ 0 0 1 -4,-1.5 4,-2.6 1,-0.2 3,-0.3 0.930 109.1 56.0 -61.7 -43.2 35.9 20.7 28.4 58 58 A A H < S+ 0 0 13 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.886 103.1 56.5 -56.2 -40.0 34.7 22.6 25.3 59 59 A D H < S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 118.6 29.0 -59.5 -43.3 32.3 19.7 24.5 60 60 A V H < S+ 0 0 82 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.695 92.6 103.6 -96.3 -19.2 30.5 19.8 27.9 61 61 A V < - 0 0 0 -4,-2.6 2,-0.3 -5,-0.2 65,-0.1 -0.306 50.9-168.4 -66.7 141.3 30.7 23.5 29.0 62 62 A T > - 0 0 80 -60,-0.1 3,-2.2 63,-0.1 -60,-0.1 -0.821 36.1 -65.8-125.8 170.3 27.5 25.5 28.6 63 63 A A T 3 S+ 0 0 74 -2,-0.3 63,-0.2 1,-0.3 62,-0.2 -0.300 121.0 24.5 -56.2 130.4 26.6 29.2 28.8 64 64 A G T 3 S+ 0 0 35 61,-2.0 -1,-0.3 1,-0.4 62,-0.1 0.242 93.4 118.6 98.6 -17.7 27.0 30.5 32.3 65 65 A D < - 0 0 10 -3,-2.2 62,-3.0 -64,-0.1 -1,-0.4 -0.384 57.2-130.8 -77.4 164.4 29.6 28.0 33.4 66 66 A Y E -bc 3 127A 10 -64,-2.5 -62,-3.1 60,-0.2 2,-0.4 -0.853 13.4-163.7-114.4 153.2 33.1 29.0 34.4 67 67 A V E -bc 4 128A 0 60,-2.1 62,-2.7 -2,-0.3 2,-0.5 -0.986 4.0-164.6-137.0 119.4 36.5 27.6 33.3 68 68 A I E -bc 5 129A 0 -64,-3.0 -62,-2.6 -2,-0.4 2,-0.5 -0.955 8.7-169.4-107.8 124.4 39.6 28.4 35.4 69 69 A V E +bc 6 130A 2 60,-2.3 62,-2.9 -2,-0.5 2,-0.4 -0.961 11.1 169.5-118.7 125.0 42.9 27.7 33.5 70 70 A E + 0 0 2 -64,-2.5 -62,-0.5 -2,-0.5 2,-0.3 -0.901 11.6 146.6-142.1 105.2 46.2 27.7 35.3 71 71 A F + 0 0 1 60,-0.5 62,-0.5 -2,-0.4 -27,-0.1 -0.818 21.2 102.2-128.9 170.0 49.5 26.4 33.7 72 72 A G > + 0 0 2 -2,-0.3 3,-1.2 60,-0.1 4,-0.4 -0.105 59.5 87.8 150.2 -41.4 53.2 27.3 33.8 73 73 A H T 3 S+ 0 0 37 1,-0.2 3,-0.3 2,-0.1 -29,-0.1 0.858 104.0 30.4 -54.3 -40.8 55.0 24.8 36.0 74 74 A N T 3 S+ 0 0 43 -31,-0.4 -1,-0.2 1,-0.2 -30,-0.1 0.281 98.6 89.3-105.5 13.3 55.6 22.3 33.2 75 75 A D S < S+ 0 0 2 -3,-1.2 12,-1.9 11,-0.1 -1,-0.2 0.564 74.3 69.5 -89.6 -12.6 55.9 24.8 30.3 76 76 A G + 0 0 21 -4,-0.4 2,-0.2 -3,-0.3 9,-0.1 0.002 56.9 87.8 -89.1-159.5 59.6 25.6 30.3 77 77 A G S S- 0 0 62 9,-0.1 2,-0.5 8,-0.1 5,-0.1 -0.472 77.6 -48.4 100.3-174.5 62.6 23.6 29.4 78 78 A S > - 0 0 56 3,-0.2 3,-0.9 -2,-0.2 5,-0.3 -0.856 25.1-157.3-106.8 129.7 64.5 23.0 26.3 79 79 A L G > S+ 0 0 46 -2,-0.5 3,-0.9 1,-0.2 -1,-0.1 0.740 88.0 80.8 -73.9 -17.6 62.9 21.9 23.0 80 80 A S G 3 S+ 0 0 111 1,-0.3 2,-0.3 2,-0.0 -1,-0.2 0.767 105.5 29.5 -55.3 -35.2 66.4 20.5 22.1 81 81 A T G < S- 0 0 113 -3,-0.9 -1,-0.3 0, 0.0 -3,-0.2 -0.707 100.1-148.3-126.6 74.6 65.5 17.4 24.2 82 82 A D < + 0 0 29 -3,-0.9 -3,-0.1 -2,-0.3 -2,-0.0 -0.229 24.4 180.0 -56.1 113.2 61.8 17.5 23.7 83 83 A N - 0 0 68 -5,-0.3 -1,-0.2 -2,-0.2 -4,-0.1 0.364 51.6-111.1 -92.5 4.1 59.9 16.1 26.7 84 84 A G S S+ 0 0 0 2,-0.1 -40,-0.2 -5,-0.1 -2,-0.1 0.436 105.3 73.0 81.8 -1.6 56.5 16.7 25.1 85 85 A R + 0 0 77 -39,-0.1 -39,-0.5 -9,-0.1 -38,-0.3 0.744 63.1 103.1-109.8 -39.4 55.6 19.6 27.5 86 86 A T - 0 0 6 -8,-0.1 -10,-0.2 -40,-0.1 -11,-0.1 -0.259 62.3-139.5 -53.8 127.1 57.8 22.5 26.6 87 87 A D - 0 0 7 -12,-1.9 22,-0.2 1,-0.1 2,-0.1 -0.396 29.8 -89.5 -82.1 166.9 55.9 25.3 24.6 88 88 A a B -f 109 0C 8 20,-2.7 22,-0.6 6,-0.1 -1,-0.1 -0.480 52.6-103.3 -72.8 144.9 57.4 27.2 21.7 89 89 A S S S+ 0 0 102 20,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.406 78.4 55.3 -69.6 149.4 59.3 30.3 22.8 90 90 A G S S- 0 0 21 1,-0.1 20,-0.4 -2,-0.1 -3,-0.0 -0.600 76.0-104.7 121.2 175.0 57.6 33.7 22.3 91 91 A T S S+ 0 0 64 -2,-0.2 -1,-0.1 18,-0.1 2,-0.1 0.437 91.2 29.7-120.3 -4.6 54.4 35.5 23.2 92 92 A G S S- 0 0 26 19,-0.1 17,-0.5 20,-0.0 20,-0.4 -0.001 113.9 -27.2-123.8-130.7 52.5 35.5 19.9 93 93 A A S S+ 0 0 98 15,-0.1 -3,-0.1 18,-0.1 2,-0.0 0.177 78.7 138.2 -84.8 19.5 52.0 33.5 16.7 94 94 A E - 0 0 90 -6,-0.1 15,-0.5 -5,-0.1 2,-0.4 -0.339 37.0-156.6 -66.7 142.7 55.4 31.9 16.7 95 95 A V - 0 0 62 13,-0.1 2,-0.3 -2,-0.0 13,-0.2 -0.953 9.1-170.0-124.7 138.6 55.4 28.2 15.7 96 96 A a E -G 107 0D 31 11,-2.7 11,-3.3 -2,-0.4 2,-0.4 -0.880 9.9-149.2-119.7 156.0 58.0 25.5 16.5 97 97 A Y E +G 106 0D 152 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 22.8 161.2-129.4 135.5 58.2 22.0 15.1 98 98 A S E -G 105 0D 21 7,-1.6 7,-2.5 -2,-0.4 2,-0.6 -0.982 39.5-119.1-153.0 140.6 59.5 19.0 16.9 99 99 A V E +G 104 0D 105 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.731 45.8 160.9 -81.9 119.5 59.2 15.2 16.5 100 100 A Y E > -G 103 0D 69 3,-2.7 3,-0.8 -2,-0.6 -2,-0.1 -0.974 60.5 -6.8-145.2 126.5 57.7 13.8 19.6 101 101 A D T 3 S- 0 0 130 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.953 130.9 -50.0 59.0 46.0 55.9 10.5 20.3 102 102 A G T 3 S+ 0 0 80 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.640 119.1 99.2 67.7 21.0 56.1 9.6 16.6 103 103 A V E < S-G 100 0D 85 -3,-0.8 -3,-2.7 -5,-0.1 2,-1.4 -0.987 73.7-129.9-137.6 140.6 54.6 12.9 15.2 104 104 A N E -G 99 0D 107 -2,-0.3 -5,-0.3 -5,-0.2 2,-0.2 -0.804 48.1-154.1 -86.0 92.9 56.3 16.0 13.7 105 105 A E E -G 98 0D 19 -7,-2.5 -7,-1.6 -2,-1.4 2,-0.6 -0.497 17.4-135.8 -80.0 136.6 54.3 18.2 16.1 106 106 A T E -G 97 0D 77 -2,-0.2 2,-0.5 -9,-0.2 -9,-0.2 -0.841 29.7-162.3 -87.6 120.6 53.3 21.9 15.4 107 107 A I E -G 96 0D 0 -11,-3.3 -11,-2.7 -2,-0.6 2,-0.1 -0.935 4.6-161.7-114.3 129.0 54.0 23.6 18.7 108 108 A L - 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0 0 19 -4,-1.4 4,-2.1 -3,-0.2 5,-0.3 -0.055 22.8 -61.3 93.7 168.7 57.3 32.4 57.5 182 182 A N H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.895 123.4 45.8 -58.2 -55.6 60.0 29.9 56.8 183 183 A A H > S+ 0 0 78 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.936 116.4 44.6 -59.5 -49.2 59.1 27.0 59.1 184 184 A T H > S+ 0 0 60 -4,-0.4 4,-0.6 2,-0.2 3,-0.3 0.940 114.4 46.5 -64.1 -50.3 55.4 26.9 58.2 185 185 A V H >< S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 4,-0.4 0.918 109.5 54.7 -62.5 -37.9 55.8 27.2 54.4 186 186 A N H >< S+ 0 0 54 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.846 100.8 60.8 -63.7 -28.4 58.5 24.6 54.4 187 187 A S H 3< S+ 0 0 75 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.730 95.5 62.7 -71.1 -18.2 56.1 22.2 56.1 188 188 A Y T << S+ 0 0 25 -3,-1.5 9,-2.0 -4,-0.6 -1,-0.3 0.599 97.0 61.5 -79.8 -12.0 53.8 22.6 53.1 189 189 A F < + 0 0 17 -3,-1.4 -1,-0.2 -4,-0.4 7,-0.1 -0.693 61.5 165.7-119.4 82.1 56.4 21.0 50.8 190 190 A P S S+ 0 0 70 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.737 75.4 12.5 -67.5 -30.4 57.0 17.4 52.1 191 191 A I S S- 0 0 83 4,-0.4 2,-0.3 1,-0.3 5,-0.1 0.545 127.7 -4.2-128.5 -13.7 58.9 15.9 49.2 192 192 A D S S- 0 0 59 3,-0.3 -1,-0.3 0, 0.0 -55,-0.0 -0.942 77.0 -89.9-163.8-179.2 60.0 18.5 46.8 193 193 A H S S+ 0 0 69 -2,-0.3 -56,-2.7 1,-0.1 -53,-0.1 0.374 114.6 45.5 -87.7 7.7 59.8 22.3 46.2 194 194 A T S S+ 0 0 24 -58,-0.2 2,-0.5 1,-0.1 -1,-0.1 0.783 89.4 75.7-114.4 -47.3 56.6 22.1 44.0 195 195 A H - 0 0 32 -179,-0.1 -4,-0.4 -173,-0.0 -3,-0.3 -0.665 66.7-141.8 -84.9 124.9 53.9 19.8 45.5 196 196 A T - 0 0 10 -2,-0.5 -175,-2.7 -175,-0.3 -7,-0.2 -0.515 9.7-126.8 -85.4 147.8 51.9 21.0 48.4 197 197 A S > - 0 0 19 -9,-2.0 4,-2.5 -177,-0.3 5,-0.2 -0.206 46.8 -89.5 -74.0 172.5 50.7 18.9 51.4 198 198 A P H > S+ 0 0 62 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.886 130.7 50.5 -58.1 -35.3 46.9 19.1 52.0 199 199 A A H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.897 110.9 47.8 -68.4 -41.4 47.4 22.1 54.4 200 200 A G H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 109.9 53.3 -65.9 -37.6 49.4 23.9 51.7 201 201 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.876 108.0 50.5 -63.2 -39.6 46.8 23.1 49.1 202 202 A E H X S+ 0 0 42 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.936 111.3 48.0 -63.4 -47.9 44.1 24.6 51.3 203 203 A V H X S+ 0 0 12 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.901 112.0 50.2 -59.4 -42.1 46.2 27.8 51.8 204 204 A V H X S+ 0 0 5 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.894 111.0 48.2 -64.6 -40.6 46.8 28.0 48.0 205 205 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 3,-0.2 0.922 111.5 50.5 -66.2 -42.5 43.0 27.6 47.3 206 206 A E H X S+ 0 0 41 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.881 107.3 54.5 -62.4 -37.9 42.2 30.3 49.9 207 207 A A H X S+ 0 0 7 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.847 105.8 52.2 -65.5 -33.0 44.8 32.6 48.2 208 208 A F H X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.2 -2,-0.2 0.930 111.5 46.6 -67.2 -43.1 43.0 32.2 44.9 209 209 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.867 108.7 54.5 -67.4 -35.2 39.7 33.2 46.5 210 210 A K H X S+ 0 0 40 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 109.3 49.4 -61.7 -44.1 41.3 36.2 48.2 211 211 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 6,-0.2 0.895 109.3 51.9 -61.4 -42.8 42.6 37.3 44.7 212 212 A V H X>S+ 0 0 0 -4,-2.1 5,-1.7 2,-0.2 4,-1.3 0.938 112.9 43.8 -60.6 -47.9 39.0 36.8 43.3 213 213 A V H <5S+ 0 0 39 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.908 114.8 49.6 -64.8 -42.9 37.4 39.0 46.1 214 214 A b H <5S+ 0 0 35 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 118.4 37.8 -66.8 -36.4 40.1 41.7 45.9 215 215 A T H <5S- 0 0 74 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.558 105.5-121.2 -94.3 -10.0 40.0 42.0 42.1 216 216 A G T <5 - 0 0 39 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.826 42.3-179.0 73.8 33.1 36.2 41.7 41.6 217 217 A T > < - 0 0 4 -5,-1.7 3,-2.4 -6,-0.2 -1,-0.2 -0.349 39.7-111.9 -64.6 147.3 36.4 38.6 39.3 218 218 A S G > S+ 0 0 22 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.721 112.1 75.2 -52.4 -29.5 33.0 37.3 38.1 219 219 A L G > S+ 0 0 0 1,-0.3 3,-2.0 2,-0.2 4,-0.4 0.656 71.6 88.5 -58.1 -19.5 33.4 34.1 40.1 220 220 A K G X S+ 0 0 98 -3,-2.4 3,-1.0 1,-0.3 -1,-0.3 0.784 75.1 69.7 -45.8 -34.7 32.6 36.4 43.1 221 221 A S G < S+ 0 0 96 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.686 103.1 37.9 -62.5 -26.5 28.9 35.5 42.3 222 222 A V G < S+ 0 0 15 -3,-2.0 -190,-2.8 -4,-0.1 -189,-0.3 0.306 87.1 118.3-109.8 8.9 29.2 31.9 43.4 223 223 A L B < -E 31 0B 23 -3,-1.0 -192,-0.2 -4,-0.4 3,-0.1 -0.592 48.7-159.4 -76.6 135.2 31.5 32.4 46.5 224 224 A T S S+ 0 0 84 -194,-2.8 2,-0.3 -2,-0.3 -193,-0.1 0.634 72.8 12.9 -88.3 -18.3 29.9 31.4 49.8 225 225 A T - 0 0 51 -195,-0.5 -1,-0.2 1,-0.0 -195,-0.0 -0.988 44.6-160.3-156.3 154.6 32.3 33.5 52.0 226 226 A T + 0 0 94 -2,-0.3 2,-1.3 -3,-0.1 -1,-0.0 0.162 56.7 120.6-120.0 13.7 34.9 36.3 51.8 227 227 A S + 0 0 103 0, 0.0 2,-0.3 0, 0.0 -17,-0.1 -0.674 34.8 133.0 -86.5 91.2 36.6 35.5 55.1 228 228 A F - 0 0 21 -2,-1.3 -21,-0.0 2,-0.1 -2,-0.0 -0.993 52.8-115.1-138.6 140.4 40.2 34.8 54.1 229 229 A E S S+ 0 0 106 -2,-0.3 2,-0.1 2,-0.0 -53,-0.1 -0.143 72.1 56.7 -69.0 172.9 43.5 36.1 55.7 230 230 A G S S- 0 0 41 -55,-0.1 2,-0.3 -54,-0.1 -2,-0.1 -0.400 78.3 -91.9 95.9-177.4 45.9 38.3 53.9 231 231 A T - 0 0 96 2,-0.2 2,-0.2 -2,-0.1 -17,-0.1 -0.826 43.9 -78.4-132.8 165.2 45.4 41.7 52.2 232 232 A b 0 0 66 -2,-0.3 -21,-0.1 -18,-0.1 -2,-0.0 -0.534 360.0 360.0 -72.1 133.2 44.5 42.9 48.7 233 233 A L 0 0 155 -2,-0.2 -2,-0.2 -22,-0.0 -22,-0.0 0.743 360.0 360.0 94.1 360.0 47.6 42.9 46.3