==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-DEC-99 1DKO . COMPND 2 MOLECULE: PHYTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.LIM,S.GOLOVAN,C.W.FORSBERG,Z.JIA . 410 1 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 20 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 32.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 2 2 1 0 0 0 0 4 0 0 1 0 0 0 1 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 PARALLEL BRIDGES PER LADDER . 4 1 0 1 1 0 0 0 2 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 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 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 Q 0 0 189 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.4 30.0 16.7 51.8 2 2 A S - 0 0 131 1,-0.0 3,-0.0 3,-0.0 0, 0.0 -0.397 360.0-151.4 -59.0 131.7 28.4 15.5 48.6 3 3 A E - 0 0 134 -2,-0.1 -1,-0.0 1,-0.1 2,-0.0 -0.797 25.9 -88.6-108.3 150.7 28.8 18.3 46.0 4 4 A P - 0 0 86 0, 0.0 337,-0.1 0, 0.0 -1,-0.1 -0.321 26.6-156.4 -58.2 134.9 26.5 19.0 43.1 5 5 A E S S+ 0 0 102 336,-0.1 336,-1.5 335,-0.1 337,-0.5 0.563 78.5 54.8 -88.3 -10.5 27.5 17.1 39.9 6 6 A L E -A 340 0A 15 334,-0.2 2,-0.4 335,-0.1 334,-0.2 -0.928 69.3-154.2-123.4 147.5 25.7 19.7 37.7 7 7 A K E -A 339 0A 90 332,-2.2 332,-2.8 -2,-0.3 2,-0.4 -0.979 18.1-129.2-127.2 123.6 26.2 23.4 37.5 8 8 A L E +A 338 0A 2 -2,-0.4 330,-0.2 61,-0.4 3,-0.1 -0.541 36.2 161.9 -69.0 119.3 23.5 25.9 36.4 9 9 A E E + 0 0 45 328,-2.8 2,-0.3 -2,-0.4 329,-0.2 0.503 58.7 21.9-117.2 -9.7 25.1 28.2 33.7 10 10 A S E -A 337 0A 3 327,-1.2 327,-2.5 284,-0.0 2,-0.4 -0.921 52.6-168.9-164.6 136.9 22.1 29.6 31.9 11 11 A V E -Ab 336 297A 0 285,-2.6 287,-2.5 -2,-0.3 2,-0.5 -0.987 2.0-176.8-131.5 130.7 18.4 30.3 32.4 12 12 A V E -Ab 335 298A 1 323,-3.1 323,-2.9 -2,-0.4 2,-0.6 -0.981 10.7-167.2-125.8 118.4 15.8 31.4 29.9 13 13 A I E -Ab 334 299A 0 285,-3.4 287,-3.4 -2,-0.5 2,-0.8 -0.922 9.8-166.8-112.1 120.1 12.3 32.1 31.2 14 14 A V E -Ab 333 300A 2 319,-2.4 319,-3.2 -2,-0.6 2,-0.3 -0.916 24.9-177.3-102.4 111.0 9.3 32.5 28.9 15 15 A S E -Ab 332 301A 0 285,-3.2 287,-4.2 -2,-0.8 2,-0.2 -0.858 26.5-130.1-115.7 148.6 6.6 33.9 31.1 16 16 A R E - b 0 302A 1 315,-2.1 314,-0.4 -2,-0.3 287,-0.3 -0.617 42.7 -97.7 -86.2 150.8 3.0 34.9 30.6 17 17 A H - 0 0 4 285,-1.7 313,-2.1 -2,-0.2 314,-0.3 -0.107 48.2-100.7 -60.1 170.6 2.0 38.3 31.7 18 18 A G - 0 0 2 74,-0.5 33,-0.1 311,-0.3 312,-0.1 -0.096 60.7 -42.5 -85.6-171.7 0.4 38.6 35.1 19 19 A V + 0 0 2 32,-0.2 29,-2.0 310,-0.2 2,-0.3 -0.260 67.3 175.1 -54.2 132.9 -3.3 38.9 36.2 20 20 A R B -I 47 0B 23 27,-0.3 27,-0.2 -3,-0.1 3,-0.1 -0.899 35.8 -94.4-138.1 163.2 -5.1 41.4 34.0 21 21 A A - 0 0 0 25,-1.8 24,-0.9 22,-0.4 22,-0.1 -0.423 65.4 -74.7 -74.3 155.7 -8.7 42.7 33.6 22 22 A P - 0 0 13 0, 0.0 23,-1.0 0, 0.0 24,-0.2 -0.163 37.8-130.6 -51.7 147.9 -10.7 40.9 30.9 23 23 A T S S+ 0 0 50 21,-0.2 2,-0.3 22,-0.1 21,-0.1 0.679 82.9 23.3 -75.1 -19.5 -9.7 41.9 27.4 24 24 A K - 0 0 117 2,-0.0 21,-0.1 5,-0.0 2,-0.1 -0.913 46.1-162.9-143.7 170.3 -13.3 42.6 26.3 25 25 A A + 0 0 80 -2,-0.3 2,-0.1 19,-0.1 19,-0.0 -0.579 36.3 172.9-153.0 74.5 -16.8 43.4 27.4 26 26 A T > - 0 0 57 1,-0.1 4,-0.8 -2,-0.1 5,-0.1 -0.299 46.5-112.3 -88.2 171.0 -19.1 42.5 24.5 27 27 A Q H > S+ 0 0 133 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.845 117.6 56.5 -69.4 -34.6 -22.9 42.3 24.1 28 28 A L H >> S+ 0 0 62 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.955 100.9 57.5 -60.6 -50.2 -22.7 38.6 23.7 29 29 A M H 34 S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.760 110.8 43.0 -52.3 -29.2 -21.0 38.3 27.1 30 30 A Q H >< S+ 0 0 76 -4,-0.8 3,-0.8 -3,-0.4 146,-0.3 0.761 108.1 58.5 -90.2 -26.7 -23.9 40.1 28.8 31 31 A D H << S+ 0 0 49 -4,-1.6 146,-2.7 -3,-0.5 147,-0.5 0.688 98.7 58.7 -75.3 -19.9 -26.6 38.2 26.9 32 32 A V T 3< S+ 0 0 0 -4,-1.4 -1,-0.2 144,-0.2 143,-0.1 0.432 111.3 42.8 -89.5 0.6 -25.5 34.8 28.1 33 33 A T < - 0 0 2 -3,-0.8 143,-0.2 2,-0.1 138,-0.1 -0.995 61.8-152.0-146.8 139.2 -26.0 35.8 31.8 34 34 A P S S+ 0 0 62 0, 0.0 2,-0.1 0, 0.0 137,-0.1 0.685 78.9 85.6 -80.9 -17.5 -28.7 37.7 33.6 35 35 A D S S- 0 0 48 135,-0.4 2,-0.5 1,-0.1 -2,-0.1 -0.425 85.2-108.3 -85.5 158.8 -26.1 38.9 36.1 36 36 A A - 0 0 76 -2,-0.1 198,-0.1 1,-0.0 -1,-0.1 -0.731 30.4-122.0 -90.1 128.2 -23.8 41.9 35.9 37 37 A W - 0 0 43 -2,-0.5 -1,-0.0 -4,-0.1 -7,-0.0 -0.475 33.6-110.3 -68.5 130.9 -20.1 41.2 35.4 38 38 A P - 0 0 52 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.299 33.7-118.4 -63.6 145.8 -17.9 42.7 38.1 39 39 A T - 0 0 126 -3,-0.1 -3,-0.0 -18,-0.0 0, 0.0 -0.487 20.7-131.9 -86.0 155.1 -15.8 45.7 37.2 40 40 A W - 0 0 34 2,-0.2 4,-0.1 -2,-0.2 -1,-0.0 -0.770 14.2-126.2-108.8 152.3 -12.0 45.8 37.3 41 41 A P S S+ 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.478 92.1 46.2 -72.8 -3.2 -9.6 48.5 38.8 42 42 A V S S- 0 0 37 4,-0.1 -2,-0.2 1,-0.1 3,-0.1 -0.792 98.3 -78.0-131.7 175.7 -7.7 48.9 35.5 43 43 A K > - 0 0 137 -2,-0.2 3,-2.2 1,-0.2 -22,-0.4 -0.354 67.8 -74.5 -72.4 155.6 -8.4 49.3 31.8 44 44 A L T 3 S+ 0 0 94 1,-0.3 -21,-0.2 -24,-0.1 -1,-0.2 -0.194 119.2 8.6 -50.4 135.8 -9.4 46.2 29.8 45 45 A G T 3 S+ 0 0 5 -23,-1.0 47,-0.4 -24,-0.9 -1,-0.3 0.538 100.5 128.1 69.5 6.3 -6.4 43.9 29.2 46 46 A W < - 0 0 113 -3,-2.2 -25,-1.8 -24,-0.2 -1,-0.2 -0.655 67.1-103.0 -95.6 153.0 -4.2 45.9 31.5 47 47 A L B -I 20 0B 14 -2,-0.2 -27,-0.3 -27,-0.2 -4,-0.1 -0.516 35.0-134.3 -72.6 137.2 -2.1 44.4 34.3 48 48 A T > - 0 0 1 -29,-2.0 4,-2.5 -2,-0.2 3,-0.2 -0.634 20.4-115.4 -90.5 150.4 -3.6 45.0 37.7 49 49 A P H > S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.877 121.5 53.3 -52.8 -34.1 -1.4 46.1 40.6 50 50 A R H > S+ 0 0 53 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.912 105.8 52.5 -65.5 -41.5 -2.2 42.8 42.2 51 51 A G H > S+ 0 0 0 -32,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.908 108.9 50.8 -60.0 -39.3 -1.0 41.0 39.0 52 52 A G H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.915 109.2 50.2 -64.2 -42.7 2.2 43.0 39.3 53 53 A E H X S+ 0 0 72 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 108.8 51.5 -59.8 -48.5 2.7 41.9 42.9 54 54 A L H X S+ 0 0 4 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.885 111.8 47.2 -58.1 -38.4 2.1 38.3 42.1 55 55 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.2 3,-0.3 0.928 108.9 54.6 -68.9 -42.1 4.7 38.5 39.3 56 56 A A H X S+ 0 0 24 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.853 102.9 57.8 -58.2 -35.9 7.1 40.3 41.7 57 57 A Y H X S+ 0 0 52 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.919 107.3 46.2 -60.7 -43.8 6.7 37.4 44.1 58 58 A L H X S+ 0 0 0 -4,-1.4 4,-2.8 -3,-0.3 -1,-0.2 0.857 111.4 52.8 -66.5 -35.5 8.0 35.0 41.4 59 59 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.928 109.7 48.6 -64.5 -43.4 10.8 37.5 40.7 60 60 A H H X S+ 0 0 82 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.932 113.1 47.7 -60.6 -47.6 11.6 37.4 44.4 61 61 A Y H X S+ 0 0 16 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.898 108.4 53.2 -60.8 -45.2 11.6 33.6 44.4 62 62 A Q H X S+ 0 0 1 -4,-2.8 4,-3.2 1,-0.2 -1,-0.2 0.864 106.7 53.9 -61.5 -33.7 13.7 33.2 41.3 63 63 A R H X S+ 0 0 29 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.956 112.2 42.4 -65.5 -48.0 16.3 35.5 42.9 64 64 A Q H X S+ 0 0 63 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.927 116.9 49.7 -62.0 -44.3 16.6 33.3 46.0 65 65 A R H X S+ 0 0 22 -4,-3.0 4,-1.2 1,-0.2 -2,-0.2 0.929 112.4 45.6 -59.2 -50.5 16.5 30.2 43.8 66 66 A L H <>S+ 0 0 0 -4,-3.2 5,-2.1 2,-0.2 6,-1.0 0.810 109.4 55.7 -66.3 -31.1 19.2 31.4 41.5 67 67 A V H ><5S+ 0 0 37 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.951 107.4 49.0 -65.7 -47.3 21.4 32.5 44.4 68 68 A A H 3<5S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.779 111.0 50.7 -61.9 -27.5 21.2 29.0 45.9 69 69 A D T 3<5S- 0 0 60 -4,-1.2 -61,-0.4 -5,-0.2 -1,-0.3 0.448 114.2-124.7 -89.2 -0.3 22.2 27.7 42.4 70 70 A G T < 5S+ 0 0 56 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.598 80.5 112.7 70.2 15.8 25.0 30.1 42.4 71 71 A L S > - 0 0 144 1,-0.2 3,-1.2 2,-0.1 4,-0.5 -0.196 57.2 -77.3 -59.1 154.0 26.3 42.7 37.2 80 80 A S T 34 S+ 0 0 132 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.241 118.8 10.1 -54.1 135.6 25.9 44.7 33.9 81 81 A G T 34 S+ 0 0 44 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.862 99.3 105.5 60.8 37.4 24.7 42.4 31.1 82 82 A Q T <4 S+ 0 0 27 -3,-1.2 215,-2.0 1,-0.3 214,-1.4 0.675 79.9 39.3-111.0 -37.9 24.0 39.5 33.4 83 83 A V E < -c 297 0A 16 -4,-0.5 2,-0.4 213,-0.2 -1,-0.3 -0.957 67.6-173.8-119.0 130.0 20.2 39.8 33.4 84 84 A A E -c 298 0A 3 213,-2.6 215,-2.8 -2,-0.4 2,-0.5 -0.985 3.9-167.1-125.8 132.2 18.2 40.6 30.3 85 85 A I E +cd 299 112A 0 26,-0.7 28,-2.9 -2,-0.4 2,-0.3 -0.977 8.0 178.5-122.9 122.8 14.4 41.3 30.3 86 86 A I E -cd 300 113A 4 213,-3.0 215,-2.6 -2,-0.5 2,-0.3 -0.883 5.3-177.8-119.2 151.2 12.5 41.4 27.0 87 87 A A E -c 301 0A 0 26,-2.0 28,-0.4 -2,-0.3 215,-0.2 -0.998 31.1-106.1-151.4 150.6 8.7 42.0 26.7 88 88 A D - 0 0 3 213,-2.0 6,-0.2 -2,-0.3 30,-0.1 -0.317 47.3-102.6 -67.9 162.5 6.1 42.1 24.0 89 89 A V S S+ 0 0 20 31,-0.1 -1,-0.1 4,-0.1 25,-0.1 0.572 85.9 113.3 -67.0 -11.4 4.8 45.7 23.3 90 90 A D S > S- 0 0 53 1,-0.1 4,-3.0 4,-0.1 3,-0.4 -0.311 75.5-124.5 -65.3 147.0 1.6 45.2 25.3 91 91 A E H > S+ 0 0 52 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.938 112.4 52.2 -52.9 -49.8 1.1 47.2 28.5 92 92 A R H > S+ 0 0 46 -47,-0.4 4,-0.9 1,-0.2 -74,-0.5 0.796 112.6 42.9 -61.0 -32.5 0.6 44.0 30.4 93 93 A T H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.898 114.3 50.4 -79.9 -42.4 3.8 42.3 29.1 94 94 A R H X S+ 0 0 76 -4,-3.0 4,-1.7 1,-0.2 3,-0.4 0.968 113.2 46.3 -56.7 -53.0 5.9 45.5 29.6 95 95 A K H X S+ 0 0 91 -4,-3.1 4,-2.4 -5,-0.3 -1,-0.2 0.786 108.4 56.2 -61.4 -28.4 4.6 45.8 33.2 96 96 A T H X S+ 0 0 0 -4,-0.9 4,-2.2 -5,-0.3 -1,-0.2 0.869 105.8 51.6 -71.6 -35.4 5.2 42.1 33.8 97 97 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 -3,-0.4 -2,-0.2 0.876 112.5 45.8 -66.3 -36.7 8.8 42.6 32.9 98 98 A E H X S+ 0 0 74 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.864 111.5 51.2 -73.0 -38.8 9.0 45.5 35.3 99 99 A A H X S+ 0 0 12 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.880 112.0 47.5 -66.1 -39.7 7.2 43.6 38.1 100 100 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.930 112.4 48.5 -67.8 -45.6 9.6 40.7 37.7 101 101 A A H X S+ 0 0 5 -4,-1.9 4,-3.7 1,-0.2 -2,-0.2 0.945 110.6 51.1 -58.6 -48.8 12.7 42.9 37.7 102 102 A A H < S+ 0 0 55 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.840 115.4 42.8 -58.9 -34.2 11.5 44.7 40.8 103 103 A G H < S+ 0 0 9 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.845 117.5 45.5 -81.1 -34.9 11.0 41.4 42.5 104 104 A L H < S+ 0 0 1 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.920 135.6 8.4 -73.9 -46.6 14.3 39.9 41.2 105 105 A A S >< S- 0 0 1 -4,-3.7 3,-2.2 -5,-0.2 4,-0.3 -0.594 82.7-148.8-138.4 76.6 16.5 42.9 42.0 106 106 A P T 3 S+ 0 0 74 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.054 80.2 3.3 -45.9 138.8 14.6 45.6 44.0 107 107 A D T 3 S+ 0 0 169 1,-0.1 -5,-0.1 -5,-0.0 -30,-0.1 0.531 101.7 106.6 62.2 6.5 15.7 49.2 43.3 108 108 A a S < S- 0 0 30 -3,-2.2 -1,-0.1 -7,-0.2 -6,-0.1 0.619 72.1-144.8 -90.3 -11.9 18.1 48.1 40.6 109 109 A A - 0 0 90 -4,-0.3 2,-0.2 1,-0.1 -7,-0.0 0.932 17.7-164.0 49.0 58.7 16.0 49.3 37.8 110 110 A I - 0 0 32 -5,-0.2 2,-0.2 -12,-0.1 -1,-0.1 -0.520 25.3-109.5 -71.1 140.8 16.7 46.5 35.3 111 111 A T - 0 0 84 -2,-0.2 2,-0.8 -10,-0.1 -26,-0.7 -0.528 19.1-149.1 -77.5 137.6 15.7 47.6 31.8 112 112 A V E -d 85 0A 20 -2,-0.2 2,-0.3 -28,-0.1 -26,-0.2 -0.912 21.6-157.0-105.6 105.7 12.7 46.0 30.1 113 113 A H E +d 86 0A 51 -28,-2.9 -26,-2.0 -2,-0.8 2,-0.3 -0.621 18.0 168.2 -89.3 142.9 13.5 46.0 26.4 114 114 A T - 0 0 20 -2,-0.3 -26,-0.1 -28,-0.2 4,-0.1 -0.830 48.9 -66.6-138.6 176.4 10.8 45.8 23.8 115 115 A Q - 0 0 44 -28,-0.4 7,-0.1 -2,-0.3 5,-0.1 -0.404 50.8-121.0 -63.0 146.9 10.7 46.3 20.0 116 116 A T S S+ 0 0 147 1,-0.2 2,-1.1 2,-0.1 -1,-0.1 0.909 102.8 61.8 -60.4 -44.3 11.3 50.0 19.3 117 117 A D > + 0 0 80 1,-0.2 3,-0.7 4,-0.1 -1,-0.2 -0.735 63.1 176.5 -88.0 101.2 8.0 50.6 17.6 118 118 A T T 3 S+ 0 0 65 -2,-1.1 -1,-0.2 1,-0.2 4,-0.1 0.404 73.4 63.4 -85.3 1.6 5.4 49.8 20.3 119 119 A S T 3 S+ 0 0 111 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.458 98.4 63.2-101.7 -5.0 2.4 50.7 18.2 120 120 A S S < S- 0 0 46 -3,-0.7 -31,-0.1 -5,-0.1 -5,-0.1 -0.879 97.7 -98.7-115.4 148.6 3.1 47.9 15.7 121 121 A P - 0 0 46 0, 0.0 -2,-0.1 0, 0.0 -4,-0.1 -0.325 30.8-120.9 -69.3 153.4 3.1 44.2 16.7 122 122 A D > - 0 0 4 1,-0.1 3,-1.7 -4,-0.1 4,-0.3 -0.838 11.6-153.5 -96.5 113.3 6.3 42.3 17.6 123 123 A P G > S+ 0 0 24 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.762 89.0 76.1 -57.5 -24.8 6.8 39.3 15.3 124 124 A L G 3 S+ 0 0 2 1,-0.3 147,-0.3 2,-0.2 150,-0.1 0.912 100.6 43.5 -53.5 -37.8 8.9 37.6 18.0 125 125 A F G < S- 0 0 3 -3,-1.7 -1,-0.3 1,-0.3 178,-0.1 0.436 139.5 -2.6 -90.4 2.8 5.6 36.9 19.7 126 126 A N <> - 0 0 7 -3,-1.6 4,-0.8 -4,-0.3 -1,-0.3 -0.230 55.9-170.3 169.4 91.2 3.7 35.8 16.6 127 127 A P T 4>S+ 0 0 0 0, 0.0 5,-1.6 0, 0.0 6,-1.2 0.645 86.7 64.1 -66.3 -15.9 5.3 35.9 13.1 128 128 A L T >45S+ 0 0 4 3,-0.2 3,-1.6 4,-0.2 76,-0.1 0.962 94.6 56.2 -71.4 -53.8 2.0 35.2 11.5 129 129 A K T 345S+ 0 0 106 1,-0.3 -1,-0.2 -3,-0.2 74,-0.1 0.781 112.8 41.5 -49.8 -35.2 0.3 38.4 12.6 130 130 A T T 3<5S- 0 0 54 -4,-0.8 -1,-0.3 -7,-0.1 -2,-0.2 0.526 115.2-111.5 -94.0 -7.2 3.0 40.5 10.9 131 131 A G T < 5S+ 0 0 52 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.563 74.7 134.0 91.1 7.8 3.3 38.5 7.8 132 132 A V S - 0 0 101 126,-0.3 4,-3.2 -2,-0.3 5,-0.3 -0.764 31.1-158.9 -84.0 102.6 -1.0 26.3 5.1 137 137 A N H > S+ 0 0 75 -2,-1.1 4,-2.9 2,-0.2 5,-0.2 0.932 84.6 41.6 -48.7 -62.2 -4.8 26.7 5.2 138 138 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 118.5 46.7 -54.6 -50.0 -5.9 23.3 4.0 139 139 A N H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 113.7 47.6 -62.2 -40.5 -3.2 21.5 6.1 140 140 A V H X S+ 0 0 1 -4,-3.2 4,-2.4 2,-0.2 5,-0.3 0.902 110.4 52.8 -67.7 -40.5 -4.0 23.5 9.2 141 141 A T H X S+ 0 0 38 -4,-2.9 4,-2.0 -5,-0.3 5,-0.2 0.919 112.2 45.7 -60.8 -42.9 -7.8 22.9 8.7 142 142 A D H X S+ 0 0 108 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.886 112.5 49.4 -68.4 -40.4 -7.2 19.1 8.4 143 143 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.904 113.1 45.8 -67.9 -40.5 -4.8 18.9 11.4 144 144 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.947 115.2 46.0 -67.7 -47.8 -7.1 20.8 13.8 145 145 A L H <>S+ 0 0 50 -4,-2.0 5,-3.0 -5,-0.3 4,-0.3 0.888 111.7 53.8 -60.3 -40.6 -10.2 18.9 12.8 146 146 A S H ><5S+ 0 0 80 -4,-2.1 3,-1.9 1,-0.2 -2,-0.2 0.962 110.1 45.1 -59.2 -52.0 -8.3 15.7 13.1 147 147 A R H 3<5S+ 0 0 74 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.730 108.3 60.9 -64.7 -20.0 -7.2 16.5 16.6 148 148 A A T 3<5S- 0 0 4 -4,-1.3 3,-0.4 -5,-0.2 -1,-0.3 0.503 124.5-103.0 -84.7 -4.7 -10.9 17.5 17.2 149 149 A G T < 5S- 0 0 52 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.2 0.761 75.1 -53.2 88.8 25.4 -12.0 14.0 16.4 150 150 A G S S- 0 0 51 -3,-0.4 4,-1.5 -6,-0.2 3,-0.1 -0.988 71.4-120.7-156.7 156.2 -15.5 17.8 13.7 152 152 A I H > S+ 0 0 16 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.777 111.8 64.1 -68.8 -24.8 -16.0 20.5 16.3 153 153 A A H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.918 104.1 42.7 -65.1 -45.9 -19.4 19.0 17.0 154 154 A D H > S+ 0 0 81 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.867 113.2 56.6 -68.5 -33.8 -18.0 15.8 18.3 155 155 A F H < S+ 0 0 9 -4,-1.5 3,-0.3 2,-0.2 -2,-0.2 0.946 113.6 36.7 -60.8 -52.3 -15.4 17.9 20.2 156 156 A T H >< S+ 0 0 14 -4,-2.9 3,-2.7 1,-0.2 7,-0.2 0.903 109.9 63.2 -68.9 -40.7 -18.1 19.9 22.0 157 157 A G H >< S+ 0 0 42 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.828 100.4 54.3 -52.8 -32.3 -20.3 16.9 22.4 158 158 A H T 3< S+ 0 0 141 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.560 111.3 45.2 -79.8 -5.8 -17.6 15.3 24.5 159 159 A R T <> + 0 0 78 -3,-2.7 4,-2.3 -4,-0.2 3,-0.4 0.061 69.9 117.9-125.1 24.1 -17.5 18.3 26.8 160 160 A Q H <> S+ 0 0 41 -3,-0.9 4,-3.1 1,-0.2 5,-0.3 0.827 74.4 60.4 -60.5 -32.2 -21.2 19.0 27.4 161 161 A T H > S+ 0 0 102 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.919 108.6 43.1 -61.5 -41.8 -20.7 18.3 31.1 162 162 A A H > S+ 0 0 7 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.882 114.4 51.2 -70.7 -38.6 -18.2 21.2 31.2 163 163 A F H X S+ 0 0 5 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.877 109.2 48.9 -66.5 -39.7 -20.5 23.4 29.1 164 164 A R H X S+ 0 0 146 -4,-3.1 4,-1.7 2,-0.2 -1,-0.2 0.817 108.3 55.8 -69.8 -28.4 -23.5 22.8 31.3 165 165 A E H X S+ 0 0 34 -4,-1.3 4,-1.9 -5,-0.3 -2,-0.2 0.904 107.9 48.1 -68.5 -39.5 -21.4 23.6 34.3 166 166 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.901 110.3 51.5 -65.7 -41.7 -20.5 27.0 32.7 167 167 A E H X>S+ 0 0 21 -4,-2.0 5,-2.9 2,-0.2 4,-1.0 0.841 107.4 54.3 -62.7 -34.7 -24.2 27.6 31.9 168 168 A R H <5S+ 0 0 91 -4,-1.7 3,-0.5 2,-0.2 -1,-0.2 0.930 109.3 46.6 -65.3 -45.7 -25.0 26.8 35.6 169 169 A V H <5S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.861 116.2 45.3 -65.7 -34.8 -22.5 29.5 36.7 170 170 A L H <5S- 0 0 0 -4,-2.1 -135,-0.4 -5,-0.1 -1,-0.2 0.604 102.4-131.1 -82.0 -12.0 -23.9 31.9 34.2 171 171 A N T ><5 + 0 0 56 -4,-1.0 3,-1.5 -3,-0.5 -3,-0.2 0.963 41.7 175.2 52.4 47.2 -27.5 31.1 35.1 172 172 A F G > < + 0 0 2 -5,-2.9 3,-2.3 1,-0.3 6,-0.4 0.826 62.5 70.6 -53.9 -37.5 -27.7 30.8 31.4 173 173 A P G 3 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.780 103.1 42.7 -56.1 -26.3 -31.4 29.6 31.6 174 174 A Q G < S+ 0 0 113 -3,-1.5 2,-0.2 -142,-0.1 -2,-0.2 -0.027 95.1 117.1-107.3 28.5 -32.5 33.1 32.7 175 175 A S S <> S- 0 0 0 -3,-2.3 4,-3.5 -143,-0.1 5,-0.2 -0.505 75.6-117.0 -93.6 164.8 -30.3 34.9 30.2 176 176 A N H > S+ 0 0 86 -145,-0.3 4,-3.0 -146,-0.3 -144,-0.2 0.928 115.5 53.8 -65.4 -46.2 -31.4 37.1 27.3 177 177 A L H 4 S+ 0 0 50 -146,-2.7 -1,-0.2 1,-0.2 -145,-0.1 0.925 116.9 39.4 -53.5 -45.2 -29.9 34.8 24.7 178 178 A c H >4 S+ 0 0 10 -147,-0.5 3,-1.4 -6,-0.4 -2,-0.2 0.950 117.5 47.3 -71.1 -49.8 -31.9 32.0 26.2 179 179 A L H 3< S+ 0 0 88 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.881 112.6 47.1 -61.7 -42.9 -35.1 33.9 26.9 180 180 A K T 3< S+ 0 0 160 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 0.154 83.8 140.0 -86.6 21.0 -35.4 35.6 23.5 181 181 A R < - 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