==== 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 24-JAN-08 3C1U . COMPND 2 MOLECULE: RHAMNOGALACTURONAN ACETYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS ACULEATUS; . AUTHOR A.LANGKILDE,L.LO LEGGIO,J.C.NAVARRO POULSEN,A.MOLGAARD,S.LAR . 231 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9522.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.3 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 . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 27.7 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 . 2 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 99 0, 0.0 33,-2.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 142.8 52.7 27.7 85.1 2 2 A T E -a 34 0A 27 31,-0.2 64,-2.2 60,-0.2 2,-0.5 -0.957 360.0-152.4-125.3 143.5 51.6 30.9 83.4 3 3 A V E -ab 35 66A 0 31,-3.0 33,-2.7 -2,-0.4 2,-0.4 -0.980 14.4-159.2-113.7 113.9 48.7 31.4 80.9 4 4 A Y E -ab 36 67A 22 62,-2.8 64,-2.7 -2,-0.5 2,-0.4 -0.805 4.7-152.6 -95.9 137.6 49.2 34.3 78.5 5 5 A L E -ab 37 68A 0 31,-2.4 33,-1.8 -2,-0.4 2,-0.4 -0.951 11.3-175.0-115.5 130.4 46.2 35.9 76.8 6 6 A A E + b 0 69A 0 62,-2.7 64,-2.3 -2,-0.4 2,-0.3 -0.990 37.1 96.7-123.8 125.6 46.3 37.7 73.4 7 7 A G - 0 0 0 -2,-0.4 33,-2.3 31,-0.2 36,-0.2 -0.928 59.4 -85.8 178.5-163.8 43.1 39.4 72.2 8 8 A D >> - 0 0 1 62,-0.4 4,-2.5 -2,-0.3 3,-1.9 -0.126 67.5 -52.2-117.9-156.8 41.1 42.6 71.9 9 9 A S T 34 S+ 0 0 5 31,-0.3 186,-0.3 1,-0.3 32,-0.2 0.732 127.8 63.7 -61.8 -22.2 38.7 44.7 74.0 10 10 A T T 34 S+ 0 0 3 1,-0.2 13,-2.8 12,-0.1 -1,-0.3 0.676 118.3 26.2 -73.4 -17.6 36.5 41.6 74.6 11 11 A M T <4 S+ 0 0 0 -3,-1.9 13,-1.4 11,-0.3 11,-0.2 0.653 101.8 102.0-108.7 -31.9 39.4 40.0 76.4 12 12 A A S >< S- 0 0 3 -4,-2.5 3,-2.3 1,-0.1 10,-0.9 -0.134 80.1 -95.6 -68.3 150.3 41.4 43.0 77.8 13 13 A K T 3 S+ 0 0 126 26,-0.3 28,-0.2 1,-0.3 -1,-0.1 -0.467 116.2 15.7 -56.4 130.2 41.6 44.5 81.3 14 14 A N T > S- 0 0 101 -2,-0.1 3,-2.4 8,-0.1 -1,-0.3 0.449 99.1-142.3 73.0 8.9 39.2 47.4 81.3 15 15 A G T < - 0 0 7 -3,-2.3 26,-0.2 1,-0.3 -5,-0.1 -0.088 66.7 -23.6 53.1-127.5 37.5 46.2 78.1 16 16 A G T 3 S- 0 0 29 1,-0.4 -1,-0.3 179,-0.2 5,-0.1 0.128 101.3-109.8-102.4 19.7 36.5 49.1 75.9 17 17 A G S X S+ 0 0 31 -3,-2.4 3,-1.8 3,-0.2 -1,-0.4 -0.257 88.6 86.7 81.9-174.8 36.4 51.6 78.7 18 18 A S T 3 S- 0 0 109 1,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.805 125.7 -41.8 51.0 39.9 33.3 53.4 80.3 19 19 A G T 3 S+ 0 0 61 1,-0.3 -1,-0.3 -5,-0.1 -4,-0.1 0.295 108.3 122.8 98.4 -10.4 32.6 50.6 82.8 20 20 A T < - 0 0 7 -3,-1.8 -1,-0.3 -6,-0.3 2,-0.3 -0.279 38.8-165.4 -84.3 165.6 33.2 47.6 80.5 21 21 A N B -E 195 0B 20 174,-2.6 174,-0.5 -7,-0.1 2,-0.3 -0.963 16.9-115.1-147.5 164.9 35.7 44.7 81.1 22 22 A G > - 0 0 0 -10,-0.9 3,-1.8 -2,-0.3 -11,-0.3 -0.745 24.5-118.3-106.7 155.9 37.2 41.9 79.2 23 23 A W G > S+ 0 0 0 -13,-2.8 3,-1.9 -2,-0.3 -12,-0.2 0.727 104.4 73.6 -66.7 -24.9 36.8 38.1 79.7 24 24 A G G > S+ 0 0 2 -13,-1.4 3,-0.6 1,-0.3 4,-0.3 0.625 86.9 66.0 -64.7 -12.6 40.5 37.5 80.5 25 25 A E G < S+ 0 0 61 -3,-1.8 -1,-0.3 -14,-0.2 -2,-0.2 0.442 96.2 56.3 -82.2 -2.7 40.0 39.2 83.8 26 26 A Y G < S+ 0 0 48 -3,-1.9 -1,-0.2 174,-0.2 -2,-0.1 -0.024 90.8 72.5-122.9 26.2 37.7 36.4 85.0 27 27 A L S X S+ 0 0 1 -3,-0.6 3,-2.4 2,-0.1 4,-0.5 0.784 75.2 71.0-104.1 -38.4 40.0 33.3 84.5 28 28 A A G > S+ 0 0 57 -4,-0.3 3,-1.3 1,-0.3 -2,-0.1 0.850 90.4 64.4 -56.6 -35.2 42.6 33.5 87.2 29 29 A S G 3 S+ 0 0 95 1,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.695 109.8 38.0 -62.7 -19.0 40.1 32.6 89.9 30 30 A Y G < S+ 0 0 82 -3,-2.4 193,-2.1 3,-0.1 194,-0.5 0.238 105.1 75.9-120.1 1.8 39.5 29.1 88.2 31 31 A L B < -F 222 0C 11 -3,-1.3 191,-0.2 -4,-0.5 4,-0.1 -0.920 65.6-146.1-119.1 145.0 43.0 28.2 87.2 32 32 A S S S+ 0 0 91 189,-2.7 2,-0.2 -2,-0.4 190,-0.1 0.507 81.6 83.4 -83.0 3.8 45.9 27.1 89.3 33 33 A A S S- 0 0 9 188,-0.3 2,-0.2 -5,-0.1 -31,-0.2 -0.659 90.5-100.4-106.2 150.2 48.2 29.0 86.9 34 34 A T E -a 2 0A 88 -33,-2.3 -31,-3.0 -2,-0.2 2,-0.5 -0.580 36.5-142.9 -68.6 138.7 49.2 32.7 86.9 35 35 A V E -a 3 0A 33 -2,-0.2 2,-0.6 -33,-0.2 -31,-0.2 -0.922 14.5-170.6-109.9 126.6 47.2 34.7 84.2 36 36 A V E -a 4 0A 47 -33,-2.7 -31,-2.4 -2,-0.5 2,-1.0 -0.961 12.1-154.4-115.1 112.0 48.9 37.4 82.3 37 37 A N E +a 5 0A 31 -2,-0.6 -24,-0.2 -33,-0.2 -31,-0.1 -0.733 24.6 164.4 -94.1 98.0 46.3 39.4 80.2 38 38 A D + 0 0 40 -33,-1.8 -31,-0.2 -2,-1.0 -1,-0.2 0.188 31.1 127.6 -99.8 16.6 48.1 40.9 77.2 39 39 A A - 0 0 11 -33,-0.2 2,-0.4 -28,-0.2 -26,-0.3 -0.395 40.9-161.6 -72.8 153.2 44.9 41.7 75.3 40 40 A V > - 0 0 32 -33,-2.3 3,-1.6 -28,-0.1 -31,-0.3 -0.995 23.0-107.0-142.0 131.1 44.5 45.3 74.1 41 41 A A T 3 S+ 0 0 37 -2,-0.4 -25,-0.1 -33,-0.3 -33,-0.1 -0.240 100.2 17.1 -56.1 136.2 41.4 47.1 72.9 42 42 A G T 3 S+ 0 0 20 1,-0.3 -1,-0.2 42,-0.0 2,-0.2 0.333 90.5 136.3 92.5 -7.8 41.1 47.7 69.2 43 43 A R < - 0 0 69 -3,-1.6 31,-0.4 -36,-0.2 -1,-0.3 -0.484 32.3-167.8 -87.3 146.7 43.7 45.2 68.0 44 44 A S > - 0 0 0 -2,-0.2 4,-2.9 30,-0.2 5,-0.3 -0.629 44.8 -94.8-111.5 175.2 43.5 42.7 65.1 45 45 A A H > S+ 0 0 0 -2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.924 128.1 47.1 -57.4 -40.7 45.7 39.7 64.3 46 46 A R H > S+ 0 0 1 38,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.948 115.4 41.0 -62.5 -55.6 47.6 42.1 62.0 47 47 A S H > S+ 0 0 0 37,-0.3 4,-2.3 1,-0.2 6,-0.2 0.879 112.5 54.3 -73.2 -31.0 48.0 45.1 64.4 48 48 A Y H <>S+ 0 0 0 -4,-2.9 5,-2.0 2,-0.2 6,-0.6 0.905 113.1 45.1 -62.2 -41.2 48.8 42.9 67.4 49 49 A T H ><5S+ 0 0 54 -4,-1.6 3,-2.0 -5,-0.3 6,-0.2 0.957 113.3 48.6 -63.1 -51.7 51.6 41.3 65.3 50 50 A R H 3<5S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.857 106.0 57.5 -60.4 -36.8 52.9 44.7 64.0 51 51 A E T 3<5S- 0 0 74 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.399 115.4-116.4 -77.0 1.7 52.9 46.2 67.4 52 52 A G T <>5S+ 0 0 32 -3,-2.0 4,-2.2 -5,-0.1 -3,-0.2 0.642 74.7 132.8 77.7 15.6 55.3 43.4 68.5 53 53 A R H > S+ 0 0 8 -6,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.906 113.0 50.8 -70.9 -39.4 53.1 38.3 70.0 55 55 A E H > S+ 0 0 88 -6,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.884 105.6 56.6 -62.3 -38.2 56.9 38.7 70.2 56 56 A N H X S+ 0 0 91 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.939 110.4 43.8 -59.1 -45.1 56.5 40.3 73.7 57 57 A I H >X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 3,-1.6 0.953 111.1 55.0 -63.4 -45.2 54.7 37.1 74.9 58 58 A A H 3< S+ 0 0 2 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.836 102.8 57.3 -56.3 -33.4 57.2 34.9 73.1 59 59 A D H 3< S+ 0 0 103 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.574 117.3 31.2 -80.7 -11.3 60.1 36.6 74.9 60 60 A V H << S+ 0 0 73 -3,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.560 89.0 112.0-115.1 -14.2 58.8 35.7 78.3 61 61 A V < - 0 0 16 -4,-2.1 2,-0.3 -5,-0.1 64,-0.1 -0.312 51.6-153.9 -64.8 143.6 56.9 32.4 77.8 62 62 A T > - 0 0 91 -60,-0.1 3,-2.6 62,-0.1 -60,-0.2 -0.841 35.0 -79.9-111.0 152.7 58.5 29.4 79.6 63 63 A A T 3 S+ 0 0 75 -2,-0.3 62,-0.2 1,-0.3 61,-0.1 -0.293 119.8 26.5 -54.6 133.5 58.2 25.7 78.5 64 64 A G T 3 S+ 0 0 29 60,-2.6 -1,-0.3 1,-0.3 61,-0.2 0.214 91.9 123.4 90.5 -10.7 54.9 24.4 79.7 65 65 A D < - 0 0 7 -3,-2.6 61,-2.7 -64,-0.1 -1,-0.3 -0.313 56.0-128.3 -69.9 163.2 53.1 27.7 79.7 66 66 A Y E -bc 3 126A 11 -64,-2.2 -62,-2.8 59,-0.2 2,-0.4 -0.874 14.2-162.1-108.9 150.7 49.9 28.3 77.7 67 67 A V E -bc 4 127A 0 59,-2.3 61,-2.7 -2,-0.3 2,-0.5 -0.986 4.6-162.0-129.7 125.4 49.1 31.0 75.3 68 68 A I E -bc 5 128A 0 -64,-2.7 -62,-2.7 -2,-0.4 2,-0.5 -0.927 8.2-168.3-105.8 125.7 45.4 31.7 74.3 69 69 A V E +bc 6 129A 0 59,-2.5 61,-2.8 -2,-0.5 2,-0.4 -0.980 12.2 167.6-120.6 121.6 45.0 33.7 71.1 70 70 A E + 0 0 3 -64,-2.3 -62,-0.4 -2,-0.5 2,-0.3 -0.918 11.2 146.4-141.6 108.6 41.6 35.1 70.2 71 71 A F + 0 0 1 59,-0.4 61,-0.5 -2,-0.4 -27,-0.1 -0.874 22.4 98.6-133.0 169.6 41.0 37.7 67.4 72 72 A G > + 0 0 3 -2,-0.3 3,-1.5 59,-0.1 4,-0.4 -0.094 60.0 90.1 146.2 -41.3 38.4 38.6 64.8 73 73 A H T 3 S+ 0 0 34 1,-0.3 3,-0.2 2,-0.1 -29,-0.1 0.843 104.4 29.7 -51.3 -38.3 36.3 41.5 66.1 74 74 A N T 3 S+ 0 0 43 -31,-0.4 -1,-0.3 1,-0.1 -30,-0.2 0.273 99.2 88.5-106.0 12.2 38.7 44.1 64.5 75 75 A D < + 0 0 1 -3,-1.5 11,-1.8 10,-0.1 -1,-0.1 0.568 65.9 93.0 -95.1 -10.8 40.0 42.1 61.5 76 76 A G S S- 0 0 22 -4,-0.4 8,-0.1 -3,-0.2 9,-0.1 0.011 79.2 -71.5 -83.1-176.1 37.4 42.9 58.9 77 77 A G 0 0 57 8,-0.1 -1,-0.2 1,-0.1 4,-0.0 -0.293 360.0 360.0 -78.1 166.3 37.3 45.5 56.3 78 78 A S 0 0 118 7,-0.0 4,-0.4 0, 0.0 7,-0.1 -0.906 360.0 360.0 96.7 360.0 36.9 49.3 56.3 79 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 80 81 A T 0 0 174 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.6 41.1 53.4 53.4 81 82 A D - 0 0 33 1,-0.2 -4,-0.0 17,-0.1 16,-0.0 -0.196 360.0-169.6 -56.9 115.8 43.4 51.3 55.5 82 83 A N - 0 0 48 -4,-0.4 -1,-0.2 17,-0.1 17,-0.0 0.315 45.2-113.0 -90.2 8.1 42.5 51.5 59.2 83 84 A G S S+ 0 0 0 2,-0.1 -39,-0.2 1,-0.1 -2,-0.1 0.276 105.2 67.9 82.2 -9.8 45.7 49.7 60.3 84 85 A R + 0 0 78 -8,-0.1 -38,-0.5 -38,-0.1 -37,-0.3 0.765 64.7 103.6-108.4 -39.9 43.7 46.6 61.5 85 86 A T - 0 0 29 -7,-0.1 -9,-0.2 -39,-0.1 -10,-0.1 -0.254 61.3-140.5 -56.7 130.8 42.1 44.9 58.4 86 87 A D - 0 0 11 -11,-1.8 2,-0.2 1,-0.1 22,-0.2 -0.406 29.9 -89.5 -78.5 164.2 43.9 41.7 57.4 87 88 A a B -g 108 0D 10 20,-2.5 22,-0.6 6,-0.1 -1,-0.1 -0.567 54.7-104.0 -66.4 141.7 44.5 40.7 53.8 88 89 A S S S+ 0 0 87 -2,-0.2 2,-0.2 20,-0.1 3,-0.1 -0.289 78.7 50.0 -66.2 153.1 41.5 38.6 52.6 89 90 A G S S- 0 0 20 1,-0.1 20,-0.5 -3,-0.1 -3,-0.0 -0.530 77.6-102.7 112.7-176.2 41.9 34.8 52.2 90 91 A T S S+ 0 0 59 -2,-0.2 -1,-0.1 18,-0.1 -2,-0.0 0.446 90.7 44.0-123.7 -7.8 43.0 31.9 54.3 91 92 A G S S- 0 0 32 -3,-0.1 17,-0.5 19,-0.1 20,-0.3 0.158 111.6 -37.2-115.9-135.7 46.5 31.1 52.9 92 93 A A S S+ 0 0 96 15,-0.1 -3,-0.1 18,-0.1 0, 0.0 0.241 78.9 138.7 -87.2 9.5 49.6 32.8 51.8 93 94 A E - 0 0 91 -6,-0.1 15,-0.5 -5,-0.1 2,-0.4 -0.249 35.2-158.7 -55.6 142.3 48.0 35.9 50.2 94 95 A V - 0 0 58 13,-0.1 2,-0.4 2,-0.0 13,-0.2 -0.967 9.0-165.6-125.4 143.9 49.7 39.2 50.8 95 96 A a E -H 106 0E 50 11,-2.4 11,-3.1 -2,-0.4 2,-0.4 -0.967 13.0-145.9-120.4 138.7 48.3 42.7 50.5 96 97 A Y E +H 105 0E 157 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.892 24.7 163.9-109.2 139.6 50.5 45.8 50.5 97 98 A S E -H 104 0E 29 7,-1.5 7,-2.9 -2,-0.4 2,-0.8 -0.969 40.0-123.7-151.5 140.6 49.5 49.1 52.0 98 99 A V E +H 103 0E 108 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.730 46.3 164.1 -84.9 113.3 51.3 52.3 53.1 99 100 A Y E > -H 102 0E 52 3,-2.8 3,-1.5 -2,-0.8 -2,-0.1 -0.992 61.6 -7.0-138.2 126.4 50.4 52.5 56.7 100 101 A D T 3 S- 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.875 130.8 -52.8 47.9 47.5 52.1 54.7 59.3 101 102 A G T 3 S+ 0 0 76 1,-0.2 2,-0.4 3,-0.0 -1,-0.3 0.511 119.0 100.3 77.4 9.7 54.8 55.7 56.8 102 103 A V E < S-H 99 0E 85 -3,-1.5 -3,-2.8 -5,-0.1 2,-1.1 -0.965 75.7-124.2-122.0 140.7 55.8 52.1 55.9 103 104 A N E -H 98 0E 107 -2,-0.4 2,-0.3 -5,-0.3 -5,-0.2 -0.739 46.0-155.9 -75.7 96.0 54.9 49.9 52.8 104 105 A E E -H 97 0E 19 -7,-2.9 -7,-1.5 -2,-1.1 2,-0.7 -0.599 16.7-137.2 -86.6 133.8 53.5 47.1 55.0 105 106 A T E -H 96 0E 76 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.863 27.7-159.7 -88.1 110.6 53.2 43.5 54.0 106 107 A I E -H 95 0E 8 -11,-3.1 -11,-2.4 -2,-0.7 2,-0.1 -0.865 5.2-161.1-103.7 126.9 49.8 42.4 55.2 107 108 A L - 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0 0 16 -4,-2.2 4,-2.6 -5,-0.2 5,-0.3 -0.065 23.3 -47.8 90.0 175.9 17.7 35.6 76.8 181 182 A N H > S+ 0 0 67 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 124.2 41.5 -56.9 -55.7 17.0 39.0 75.5 182 183 A A H > S+ 0 0 78 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.943 118.3 46.5 -65.5 -45.5 16.8 41.3 78.5 183 184 A T H > S+ 0 0 58 -4,-0.4 4,-0.6 2,-0.2 -2,-0.2 0.950 115.6 43.2 -63.2 -51.6 19.8 39.8 80.3 184 185 A V H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 4,-0.3 0.921 109.8 55.4 -69.9 -36.3 22.1 39.7 77.2 185 186 A N H >< S+ 0 0 54 -4,-2.3 3,-1.9 -5,-0.3 -1,-0.2 0.882 101.0 61.8 -59.6 -33.7 21.2 43.2 76.1 186 187 A S H 3< S+ 0 0 76 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.700 94.2 63.4 -65.1 -17.7 22.2 44.4 79.5 187 188 A Y T << S+ 0 0 21 -3,-1.6 9,-2.5 -4,-0.6 -1,-0.3 0.542 95.8 62.0 -81.5 -5.8 25.7 43.2 78.9 188 189 A F < + 0 0 21 -3,-1.9 -1,-0.2 -4,-0.3 7,-0.1 -0.636 53.6 150.9-124.6 72.1 26.2 45.6 76.0 189 190 A P S S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.686 75.2 32.7 -78.3 -16.8 26.0 49.2 77.3 190 191 A I S S- 0 0 86 1,-0.5 2,-0.2 4,-0.3 -2,-0.1 0.853 127.4 -28.9-104.9 -66.2 28.3 50.9 74.8 191 192 A N S S- 0 0 70 3,-0.2 -1,-0.5 0, 0.0 -55,-0.1 -0.689 77.2 -81.7-139.5-169.4 28.1 49.2 71.4 192 193 A H S S+ 0 0 73 -2,-0.2 -56,-2.4 1,-0.1 -53,-0.1 0.361 120.3 49.5 -88.8 11.6 27.3 45.7 70.3 193 194 A T S S+ 0 0 19 -58,-0.2 -1,-0.1 -57,-0.0 2,-0.1 0.770 88.1 74.1-112.6 -52.7 30.9 44.5 71.0 194 195 A H - 0 0 34 -178,-0.1 2,-0.4 -6,-0.1 -4,-0.3 -0.387 69.3-142.4 -71.8 146.6 32.2 45.6 74.5 195 196 A T B -E 21 0B 5 -174,-0.5 -174,-2.6 -186,-0.3 -7,-0.2 -0.865 8.8-122.2-110.3 143.6 30.8 43.7 77.5 196 197 A S > - 0 0 16 -9,-2.5 4,-3.0 -2,-0.4 5,-0.2 -0.200 45.2 -94.8 -60.4 166.8 29.9 44.9 81.0 197 198 A P H > S+ 0 0 59 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.899 128.0 50.6 -54.9 -43.6 31.7 43.1 83.8 198 199 A A H > S+ 0 0 56 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.903 112.5 47.1 -61.9 -41.0 28.8 40.6 84.3 199 200 A G H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.909 108.4 54.6 -66.9 -39.4 28.9 39.9 80.5 200 201 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.897 108.6 49.7 -57.9 -39.4 32.7 39.5 80.6 201 202 A E H X S+ 0 0 95 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.919 109.7 50.0 -65.4 -45.6 32.3 36.9 83.3 202 203 A V H X S+ 0 0 10 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.931 111.7 49.7 -55.3 -44.7 29.7 35.0 81.4 203 204 A V H X S+ 0 0 3 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.920 112.3 46.9 -63.0 -43.8 32.0 35.1 78.4 204 205 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.910 110.7 51.9 -62.4 -46.0 34.9 33.8 80.5 205 206 A E H X S+ 0 0 25 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.826 106.9 54.4 -63.4 -30.1 32.8 31.1 82.0 206 207 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.853 106.7 51.2 -72.3 -33.3 31.8 30.0 78.5 207 208 A F H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.930 111.1 47.8 -63.5 -45.6 35.4 29.6 77.6 208 209 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.917 110.7 51.4 -63.4 -40.0 36.0 27.5 80.7 209 210 A K H X S+ 0 0 34 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.918 108.9 51.6 -57.8 -46.1 32.9 25.4 79.7 210 211 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 6,-0.3 0.918 108.6 51.2 -58.5 -42.8 34.3 24.9 76.2 211 212 A V H X>S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 5,-1.1 0.948 112.6 45.4 -61.0 -48.2 37.6 23.8 77.7 212 213 A V H <5S+ 0 0 21 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.937 118.1 43.2 -59.2 -49.3 35.9 21.2 80.0 213 214 A b H <5S+ 0 0 33 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.776 118.0 42.9 -73.5 -28.4 33.6 19.9 77.2 214 215 A T H <5S- 0 0 77 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.651 103.4-124.3 -93.5 -17.8 36.3 19.8 74.4 215 216 A G T <5 - 0 0 47 -4,-1.8 -3,-0.2 -5,-0.2 -4,-0.1 0.741 41.9-179.5 79.2 26.0 39.0 18.3 76.6 216 217 A T > < - 0 0 3 -5,-1.1 3,-2.6 -6,-0.3 4,-0.3 -0.208 41.2-111.4 -55.9 146.3 41.5 21.0 75.9 217 218 A S G > S+ 0 0 30 1,-0.3 3,-2.1 2,-0.2 4,-0.1 0.782 113.2 71.9 -49.4 -35.8 45.0 20.7 77.5 218 219 A L G > S+ 0 0 1 1,-0.3 3,-2.4 2,-0.2 4,-0.4 0.683 75.6 81.8 -55.9 -20.3 44.2 23.7 79.8 219 220 A K G X S+ 0 0 87 -3,-2.6 3,-1.5 1,-0.3 -1,-0.3 0.820 77.9 71.1 -55.2 -30.3 41.7 21.4 81.7 220 221 A S G < S+ 0 0 102 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.697 101.1 42.5 -59.9 -22.2 44.8 20.1 83.5 221 222 A V G < S+ 0 0 14 -3,-2.4 -189,-2.7 -4,-0.1 -188,-0.3 0.318 87.3 116.2-111.1 9.1 45.1 23.5 85.4 222 223 A L B < -F 31 0C 25 -3,-1.5 -191,-0.2 -4,-0.4 3,-0.1 -0.519 50.1-160.9 -67.8 143.4 41.4 24.0 86.1 223 224 A T S S+ 0 0 91 -193,-2.1 2,-0.3 1,-0.2 -192,-0.1 0.409 77.6 18.2-103.7 -0.7 40.4 23.9 89.8 224 225 A T - 0 0 45 -194,-0.5 -1,-0.2 1,-0.0 -194,-0.0 -0.935 51.2-157.9-156.3 155.3 36.7 23.2 89.1 225 226 A T + 0 0 81 -2,-0.3 2,-1.0 -3,-0.1 -13,-0.0 0.279 61.5 112.6-113.8 7.4 34.7 21.8 86.2 226 227 A S + 0 0 96 -14,-0.0 2,-0.3 0, 0.0 -17,-0.1 -0.691 37.6 144.4 -91.1 95.4 31.3 23.4 87.3 227 228 A F - 0 0 14 -2,-1.0 -21,-0.0 2,-0.1 -2,-0.0 -0.962 50.8-101.5-129.5 146.2 30.4 26.0 84.8 228 229 A E S S+ 0 0 80 -2,-0.3 2,-0.1 2,-0.0 -19,-0.1 -0.154 80.4 44.4 -60.0 160.7 27.0 27.1 83.5 229 230 A G S S- 0 0 33 -54,-0.1 2,-0.3 -55,-0.1 -2,-0.1 -0.454 81.4 -82.4 98.8-174.5 25.8 25.9 80.1 230 231 A T - 0 0 86 -2,-0.1 2,-0.2 -59,-0.1 -55,-0.1 -0.914 38.7 -98.1-129.5 153.8 25.9 22.6 78.2 231 232 A b 0 0 76 -2,-0.3 -21,-0.1 1,-0.1 -2,-0.0 -0.555 360.0 360.0 -72.0 138.7 28.5 20.7 76.2 232 233 A L 0 0 136 -2,-0.2 -1,-0.1 -22,-0.1 -22,-0.0 0.543 360.0 360.0-105.1 360.0 28.0 21.2 72.5