==== 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 1DKM . 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) . 17435.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 272 66.3 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 . 45 11.0 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 24 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 8.5 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 . 3 1 2 0 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 . 2 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 0 191 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.1 30.0 16.7 51.3 2 2 A S - 0 0 126 1,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.587 360.0-141.7 -74.4 132.5 28.9 15.2 48.0 3 3 A E - 0 0 129 -2,-0.3 2,-0.1 1,-0.1 -1,-0.0 -0.684 22.9 -98.0 -96.6 149.5 29.2 17.8 45.1 4 4 A P - 0 0 95 0, 0.0 337,-0.1 0, 0.0 -1,-0.1 -0.376 19.1-149.3 -64.2 138.6 26.7 18.1 42.2 5 5 A E S S+ 0 0 106 335,-0.1 336,-1.1 336,-0.1 337,-0.5 0.618 83.0 58.9 -84.1 -11.1 27.7 16.4 39.0 6 6 A L E -A 340 0A 17 334,-0.2 2,-0.5 335,-0.1 334,-0.2 -0.956 68.1-157.4-122.7 137.0 25.9 19.0 37.0 7 7 A K E -A 339 0A 92 332,-3.0 332,-2.8 -2,-0.4 2,-0.4 -0.950 19.0-129.7-115.7 125.2 26.5 22.8 36.9 8 8 A L E +A 338 0A 4 -2,-0.5 330,-0.2 61,-0.4 3,-0.1 -0.563 37.1 159.9 -71.7 122.5 23.8 25.3 35.8 9 9 A E E + 0 0 47 328,-2.4 2,-0.3 -2,-0.4 329,-0.2 0.488 58.1 22.7-123.2 -6.3 25.3 27.7 33.2 10 10 A S E -A 337 0A 1 327,-1.0 327,-2.4 284,-0.0 2,-0.4 -0.905 54.4-170.1-165.5 134.6 22.4 29.2 31.4 11 11 A V E -Ab 336 297A 1 285,-2.9 287,-1.9 -2,-0.3 2,-0.4 -0.982 2.4-176.4-130.6 138.1 18.7 29.9 31.9 12 12 A V E -Ab 335 298A 1 323,-3.0 323,-3.1 -2,-0.4 2,-0.5 -0.969 8.5-169.5-134.6 118.2 15.9 31.0 29.5 13 13 A I E -Ab 334 299A 0 285,-2.6 287,-2.9 -2,-0.4 2,-0.6 -0.922 9.7-165.7-112.8 128.1 12.5 31.7 30.8 14 14 A V E -Ab 333 300A 1 319,-2.3 319,-2.9 -2,-0.5 2,-0.4 -0.964 23.9-172.6-109.0 116.0 9.5 32.3 28.6 15 15 A S E -Ab 332 301A 0 285,-3.3 287,-3.3 -2,-0.6 317,-0.2 -0.896 26.0-129.0-118.0 142.3 6.8 33.7 30.8 16 16 A R E - b 0 302A 13 315,-2.6 314,-0.4 -2,-0.4 287,-0.3 -0.554 44.8-101.7 -76.2 149.4 3.1 34.4 30.3 17 17 A H - 0 0 7 285,-1.5 313,-2.0 -2,-0.2 314,-0.3 -0.139 46.6 -94.9 -63.5 172.5 2.4 38.0 31.5 18 18 A G - 0 0 1 74,-0.6 -1,-0.1 311,-0.3 33,-0.1 -0.151 61.3 -51.3 -83.3-177.5 0.7 38.4 34.9 19 19 A V - 0 0 3 32,-0.2 29,-1.9 310,-0.1 2,-0.4 -0.294 63.2-172.2 -57.7 129.6 -3.0 38.7 35.7 20 20 A R B -I 47 0B 60 27,-0.3 27,-0.3 -3,-0.1 24,-0.1 -0.960 32.0 -97.6-128.0 145.9 -4.5 41.5 33.6 21 21 A A - 0 0 0 25,-2.3 24,-2.9 22,-0.4 18,-0.0 -0.394 48.8-115.9 -60.6 127.0 -8.0 43.1 33.8 22 22 A P - 0 0 18 0, 0.0 24,-0.2 0, 0.0 18,-0.1 -0.162 34.3 -93.4 -62.3 162.8 -10.1 41.4 31.2 23 23 A T - 0 0 94 1,-0.2 22,-0.1 21,-0.2 3,-0.1 -0.153 61.0 -66.0 -69.3 168.9 -11.5 43.4 28.2 24 24 A K - 0 0 153 1,-0.1 -1,-0.2 20,-0.1 2,-0.2 -0.319 63.5 -98.7 -58.5 137.4 -14.9 45.1 28.3 25 25 A A - 0 0 48 -3,-0.1 -1,-0.1 12,-0.1 5,-0.0 -0.400 42.1-130.3 -61.2 126.7 -17.7 42.5 28.5 26 26 A T > - 0 0 73 -2,-0.2 4,-1.1 1,-0.1 5,-0.2 -0.217 23.8-103.8 -72.3 167.4 -19.1 42.0 25.0 27 27 A Q H >> S+ 0 0 142 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.909 125.2 54.3 -58.7 -40.2 -22.9 42.1 24.2 28 28 A L H >> S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 3,-1.5 0.952 100.9 59.0 -56.7 -52.5 -22.7 38.4 24.0 29 29 A M H 34 S+ 0 0 9 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.749 108.5 44.0 -50.8 -30.3 -21.1 38.1 27.5 30 30 A Q H << S+ 0 0 62 -4,-1.1 146,-0.4 -3,-0.7 3,-0.3 0.623 108.5 58.3 -92.4 -13.1 -24.1 39.8 29.1 31 31 A D H << S+ 0 0 40 -3,-1.5 146,-2.6 -4,-1.0 147,-0.5 0.751 100.2 56.1 -84.2 -25.8 -26.7 37.8 27.1 32 32 A V S < S+ 0 0 0 -4,-1.6 -1,-0.2 144,-0.2 -2,-0.1 0.410 115.6 38.3 -86.6 2.6 -25.4 34.5 28.4 33 33 A T - 0 0 1 -3,-0.3 143,-0.2 2,-0.1 138,-0.2 -0.987 62.3-150.3-151.8 141.3 -25.9 35.6 32.0 34 34 A P S S+ 0 0 59 0, 0.0 137,-0.1 0, 0.0 -1,-0.1 0.783 80.1 84.4 -79.8 -27.0 -28.6 37.7 33.8 35 35 A D S S- 0 0 54 135,-0.5 2,-0.4 1,-0.1 -2,-0.1 -0.264 83.9-111.8 -74.2 160.3 -25.9 38.9 36.3 36 36 A A - 0 0 75 1,-0.0 -1,-0.1 -2,-0.0 198,-0.1 -0.775 29.4-113.0 -98.5 137.5 -23.6 41.8 35.8 37 37 A W - 0 0 35 -2,-0.4 2,-0.1 1,-0.1 -12,-0.1 -0.470 33.8-113.5 -70.9 131.0 -19.8 41.3 35.4 38 38 A P - 0 0 55 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.397 30.6-124.3 -66.8 137.6 -17.6 42.7 38.2 39 39 A T - 0 0 131 -2,-0.1 -18,-0.0 1,-0.1 0, 0.0 -0.439 20.9-123.9 -81.7 154.7 -15.4 45.6 37.3 40 40 A W - 0 0 27 2,-0.2 4,-0.1 -18,-0.1 -1,-0.1 -0.733 12.4-123.5-104.6 151.4 -11.6 45.7 37.9 41 41 A P S S+ 0 0 92 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.748 92.4 43.3 -58.0 -31.2 -9.3 48.1 39.8 42 42 A V S S- 0 0 34 1,-0.2 -2,-0.2 4,-0.1 3,-0.1 -0.667 105.7 -64.8-116.3 172.4 -7.2 49.0 36.8 43 43 A K > - 0 0 119 -2,-0.2 3,-0.9 4,-0.1 -22,-0.4 -0.135 63.1-101.5 -49.2 148.5 -7.6 49.8 33.1 44 44 A L T 3 S+ 0 0 71 1,-0.2 -21,-0.2 -24,-0.1 -1,-0.1 -0.628 108.5 23.9 -79.2 131.7 -9.1 46.8 31.2 45 45 A G T 3 S+ 0 0 12 -24,-2.9 47,-0.4 1,-0.4 -1,-0.2 0.098 104.2 106.9 101.6 -19.7 -6.4 45.0 29.3 46 46 A W S < S- 0 0 115 -3,-0.9 -25,-2.3 -24,-0.2 -1,-0.4 -0.519 81.0 -95.0 -93.6 158.6 -3.7 46.2 31.6 47 47 A L B -I 20 0B 16 -27,-0.3 -27,-0.3 -2,-0.2 -4,-0.1 -0.483 40.5-131.9 -68.9 135.5 -1.7 44.4 34.2 48 48 A T > - 0 0 1 -29,-1.9 4,-2.2 -2,-0.2 3,-0.4 -0.628 19.0-116.2 -87.7 151.6 -3.2 44.8 37.7 49 49 A P H > S+ 0 0 81 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.838 120.8 53.7 -55.6 -32.3 -0.9 45.8 40.5 50 50 A R H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.889 105.4 54.5 -68.2 -36.6 -1.7 42.5 42.1 51 51 A G H > S+ 0 0 0 -3,-0.4 4,-2.0 -32,-0.2 -1,-0.2 0.928 108.8 48.5 -60.7 -43.6 -0.7 40.9 38.9 52 52 A G H X S+ 0 0 13 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.901 108.9 51.6 -63.8 -42.4 2.6 42.7 39.2 53 53 A E H X S+ 0 0 73 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.903 108.6 52.0 -62.7 -40.5 3.2 41.6 42.8 54 54 A L H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.935 112.8 44.3 -61.7 -44.9 2.6 38.0 41.9 55 55 A I H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.921 110.3 56.1 -65.1 -41.5 5.1 38.2 39.1 56 56 A A H X S+ 0 0 24 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.907 103.4 55.4 -55.4 -42.3 7.5 40.1 41.4 57 57 A Y H X S+ 0 0 51 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.918 106.5 49.3 -57.0 -45.7 7.2 37.1 43.8 58 58 A L H X S+ 0 0 0 -4,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.885 109.7 52.5 -61.6 -38.5 8.3 34.7 41.1 59 59 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.930 109.0 49.7 -62.3 -44.1 11.2 37.1 40.4 60 60 A H H X S+ 0 0 89 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.956 113.0 46.9 -57.8 -51.3 12.1 37.0 44.1 61 61 A Y H X S+ 0 0 17 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.915 109.2 52.5 -57.8 -48.2 12.0 33.2 44.1 62 62 A Q H X S+ 0 0 1 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.868 107.1 53.8 -59.2 -35.6 14.1 32.8 40.9 63 63 A R H X S+ 0 0 30 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.964 111.4 44.5 -62.7 -48.9 16.7 35.0 42.4 64 64 A Q H X S+ 0 0 59 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.918 115.5 49.8 -58.9 -43.3 16.9 32.7 45.5 65 65 A R H X S+ 0 0 27 -4,-3.1 4,-1.0 1,-0.2 -2,-0.2 0.897 114.2 41.8 -64.6 -44.8 16.8 29.7 43.2 66 66 A L H <>S+ 0 0 2 -4,-3.1 5,-2.3 2,-0.2 6,-1.3 0.777 111.8 56.4 -75.4 -27.0 19.6 30.8 40.9 67 67 A V H ><5S+ 0 0 35 -4,-2.3 3,-1.9 -5,-0.3 -2,-0.2 0.959 107.9 47.5 -66.5 -49.0 21.7 32.1 43.8 68 68 A A H 3<5S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.786 111.0 53.5 -61.3 -26.2 21.5 28.6 45.4 69 69 A D T 3<5S- 0 0 57 -4,-1.0 -61,-0.4 -5,-0.2 -1,-0.3 0.479 113.3-121.1 -87.6 -2.4 22.5 27.3 41.9 70 70 A G T < 5S+ 0 0 57 -3,-1.9 -3,-0.2 -4,-0.2 -2,-0.1 0.626 85.8 108.2 74.7 13.8 25.6 29.6 41.8 71 71 A L S > - 0 0 142 1,-0.2 3,-1.2 2,-0.1 4,-0.5 -0.064 59.9 -71.6 -55.9 162.5 26.9 42.2 36.6 80 80 A S T 34 S+ 0 0 135 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.372 120.7 7.8 -62.0 130.4 26.6 44.1 33.4 81 81 A G T 34 S+ 0 0 47 2,-0.2 -1,-0.3 -3,-0.1 215,-0.2 0.866 99.0 108.4 66.7 37.4 25.1 41.9 30.6 82 82 A Q T <4 S+ 0 0 24 -3,-1.2 215,-2.2 1,-0.4 214,-0.7 0.729 77.7 37.0-108.3 -42.3 24.3 39.0 33.0 83 83 A V E < -c 297 0A 19 -4,-0.5 2,-0.4 213,-0.2 -1,-0.4 -0.925 69.2-174.1-113.5 138.5 20.5 39.3 33.1 84 84 A A E -c 298 0A 3 213,-2.0 215,-3.4 -2,-0.4 2,-0.5 -0.998 5.3-164.3-136.4 132.1 18.5 40.3 30.1 85 85 A I E +cd 299 112A 0 26,-0.6 28,-2.8 -2,-0.4 2,-0.3 -0.964 8.4 177.7-122.6 127.9 14.7 40.9 29.9 86 86 A I E -cd 300 113A 6 213,-3.3 215,-3.0 -2,-0.5 2,-0.3 -0.939 6.0-177.6-124.6 147.2 12.7 41.1 26.7 87 87 A A E -c 301 0A 0 26,-2.1 28,-0.4 -2,-0.3 215,-0.2 -0.985 31.3-105.4-146.2 155.0 8.9 41.6 26.4 88 88 A D - 0 0 15 213,-2.0 6,-0.1 -2,-0.3 213,-0.1 -0.252 47.9-103.2 -67.6 168.6 6.2 41.8 23.8 89 89 A V S S+ 0 0 14 31,-0.1 -1,-0.1 4,-0.1 25,-0.0 0.699 86.7 107.3 -73.4 -19.2 5.0 45.4 23.1 90 90 A D S > S- 0 0 50 1,-0.1 4,-2.2 4,-0.1 3,-0.3 -0.142 79.1-119.0 -58.0 154.6 1.7 45.2 25.1 91 91 A E H > S+ 0 0 46 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.928 111.8 56.0 -59.5 -46.8 1.5 47.0 28.4 92 92 A R H > S+ 0 0 43 -47,-0.4 4,-0.9 1,-0.2 -74,-0.6 0.797 111.5 40.7 -58.7 -34.4 0.9 43.8 30.2 93 93 A T H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.869 114.4 50.9 -83.1 -39.7 4.1 42.1 29.0 94 94 A R H X S+ 0 0 80 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.941 114.1 46.1 -60.6 -45.3 6.3 45.1 29.4 95 95 A K H X S+ 0 0 87 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.805 108.6 55.7 -67.7 -29.2 4.9 45.5 32.9 96 96 A T H X S+ 0 0 0 -4,-0.9 4,-2.1 -5,-0.2 -1,-0.2 0.858 106.4 51.8 -70.2 -34.6 5.5 41.8 33.6 97 97 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.916 111.3 46.4 -66.2 -42.7 9.1 42.3 32.6 98 98 A E H X S+ 0 0 74 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.899 111.8 50.5 -66.3 -42.2 9.5 45.2 35.0 99 99 A A H X S+ 0 0 14 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.912 111.1 48.8 -64.1 -40.9 7.8 43.3 37.9 100 100 A F H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.902 112.1 48.6 -66.3 -39.1 10.0 40.3 37.4 101 101 A A H X S+ 0 0 7 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.883 109.5 53.2 -65.8 -38.8 13.1 42.5 37.3 102 102 A A H < S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.843 113.6 42.5 -65.9 -33.4 12.0 44.3 40.5 103 103 A G H < S+ 0 0 11 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.871 116.0 47.2 -80.3 -38.4 11.6 40.9 42.3 104 104 A L H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.826 137.0 5.1 -71.0 -35.7 14.8 39.4 41.0 105 105 A A S >< S- 0 0 1 -4,-2.3 3,-1.5 -5,-0.2 -1,-0.2 -0.528 81.5-152.2-152.4 78.6 16.9 42.5 41.8 106 106 A P T 3 S+ 0 0 79 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.115 78.9 9.0 -53.8 147.5 15.0 45.3 43.6 107 107 A D T 3 S+ 0 0 171 1,-0.2 2,-0.1 3,-0.0 -5,-0.1 0.269 100.3 121.2 67.2 -14.6 16.1 48.9 43.1 108 108 A a S < S- 0 0 29 -3,-1.5 2,-1.0 -7,-0.2 -1,-0.2 -0.416 70.5-120.9 -76.8 157.9 18.5 47.7 40.3 109 109 A A + 0 0 103 -3,-0.1 2,-0.9 -2,-0.1 -1,-0.1 -0.646 41.7 166.1-100.7 75.9 18.0 49.2 36.9 110 110 A I - 0 0 33 -2,-1.0 -9,-0.1 -5,-0.2 -26,-0.1 -0.823 30.7-136.8 -96.2 109.7 17.3 46.2 34.7 111 111 A T - 0 0 85 -2,-0.9 2,-0.7 1,-0.1 -26,-0.6 -0.232 1.6-139.8 -62.0 148.8 16.0 47.4 31.4 112 112 A V E -d 85 0A 22 -28,-0.1 2,-0.3 -26,-0.0 -26,-0.2 -0.945 22.8-152.4-113.8 106.0 13.1 45.7 29.7 113 113 A H E +d 86 0A 47 -28,-2.8 -26,-2.1 -2,-0.7 2,-0.2 -0.632 21.7 166.0 -85.3 133.8 13.9 45.6 26.0 114 114 A T - 0 0 16 -2,-0.3 2,-0.3 -28,-0.2 -26,-0.1 -0.728 50.8 -66.2-131.9-179.4 11.1 45.5 23.5 115 115 A Q - 0 0 41 -28,-0.4 5,-0.1 -2,-0.2 7,-0.0 -0.569 52.5-121.3 -68.7 132.0 10.7 46.0 19.7 116 116 A T S S+ 0 0 149 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.881 101.6 65.3 -44.3 -46.2 11.6 49.7 19.2 117 117 A D > + 0 0 76 1,-0.2 3,-0.7 4,-0.1 -1,-0.2 -0.715 61.0 179.2 -89.1 104.5 8.2 50.3 17.6 118 118 A T T 3 S+ 0 0 63 -2,-0.9 -1,-0.2 1,-0.2 4,-0.1 0.726 75.6 63.3 -71.9 -28.6 5.4 49.8 20.3 119 119 A S T 3 S+ 0 0 112 2,-0.1 -1,-0.2 -29,-0.0 -2,-0.1 0.641 99.6 64.3 -74.2 -14.6 2.4 50.6 18.0 120 120 A S S < S- 0 0 46 -3,-0.7 -31,-0.1 -5,-0.1 -5,-0.1 -0.831 93.4-102.0-111.4 148.7 3.2 47.6 15.8 121 121 A P - 0 0 49 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 -0.267 31.4-120.7 -65.2 155.0 3.2 43.9 16.7 122 122 A D > - 0 0 6 1,-0.1 3,-1.7 -4,-0.1 4,-0.3 -0.869 12.1-151.3 -98.2 114.1 6.4 42.1 17.4 123 123 A P G > S+ 0 0 25 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.730 90.4 75.4 -57.9 -19.4 6.8 39.2 15.0 124 124 A L G 3 S+ 0 0 2 1,-0.3 147,-0.3 2,-0.1 150,-0.1 0.895 99.8 43.3 -58.6 -37.3 8.9 37.4 17.7 125 125 A F G < S- 0 0 5 -3,-1.7 -1,-0.3 1,-0.3 178,-0.1 0.378 138.9 -0.5 -92.6 5.6 5.7 36.7 19.5 126 126 A N <> - 0 0 11 -3,-1.3 4,-0.7 -4,-0.3 3,-0.3 -0.278 56.5-172.5 169.9 93.5 3.6 35.6 16.4 127 127 A P T 4>S+ 0 0 0 0, 0.0 5,-1.5 0, 0.0 6,-1.2 0.588 82.6 69.3 -73.9 -8.6 5.2 35.7 13.0 128 128 A L T >45S+ 0 0 3 4,-0.2 3,-1.4 3,-0.2 5,-0.1 0.922 94.6 50.6 -75.9 -43.4 1.8 35.0 11.4 129 129 A K T 345S+ 0 0 113 -3,-0.3 -1,-0.2 1,-0.3 74,-0.1 0.761 110.3 49.1 -67.7 -26.4 0.2 38.3 12.2 130 130 A T T 3<5S- 0 0 51 -4,-0.7 -1,-0.3 -7,-0.1 -2,-0.1 0.132 115.3-114.0 -98.9 20.5 3.0 40.4 10.7 131 131 A G T < 5S+ 0 0 57 -3,-1.4 -3,-0.2 2,-0.2 -2,-0.1 0.609 74.4 136.8 60.9 14.6 3.0 38.3 7.6 132 132 A V S - 0 0 101 -2,-0.3 4,-2.6 126,-0.3 5,-0.3 -0.731 29.9-156.0 -82.1 101.2 -1.3 26.1 5.0 137 137 A N H > S+ 0 0 78 -2,-1.2 4,-2.9 1,-0.2 3,-0.3 0.913 85.6 42.3 -42.8 -67.9 -5.1 26.4 5.2 138 138 A A H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.859 116.7 49.0 -52.9 -40.9 -6.1 23.0 4.1 139 139 A N H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 113.5 46.2 -70.2 -35.0 -3.4 21.3 6.2 140 140 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 -3,-0.3 5,-0.3 0.918 111.2 52.1 -72.0 -43.0 -4.3 23.3 9.3 141 141 A T H X S+ 0 0 38 -4,-2.9 4,-2.3 -5,-0.3 5,-0.2 0.914 112.9 45.5 -58.3 -45.9 -8.0 22.6 8.8 142 142 A D H X S+ 0 0 110 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.896 113.7 47.9 -65.5 -44.0 -7.4 18.9 8.5 143 143 A A H X S+ 0 0 10 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.904 115.1 44.9 -66.8 -42.1 -5.0 18.7 11.5 144 144 A I H X S+ 0 0 0 -4,-2.7 4,-0.9 2,-0.2 -2,-0.2 0.932 115.3 46.2 -67.8 -47.5 -7.3 20.7 13.8 145 145 A L H <>S+ 0 0 48 -4,-2.3 5,-2.9 -5,-0.3 3,-0.5 0.898 112.3 53.5 -62.5 -38.3 -10.5 18.8 12.8 146 146 A S H ><5S+ 0 0 80 -4,-2.2 3,-1.9 1,-0.3 -2,-0.2 0.951 108.4 47.0 -61.4 -50.1 -8.5 15.5 13.2 147 147 A R H 3<5S+ 0 0 73 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.644 106.8 62.2 -67.5 -11.7 -7.4 16.4 16.7 148 148 A A T 3<5S- 0 0 5 -4,-0.9 3,-0.4 -3,-0.5 -1,-0.3 0.494 125.7 -99.0 -90.2 -5.0 -11.0 17.3 17.4 149 149 A G T < 5S- 0 0 53 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.620 76.4 -58.4 95.3 13.7 -12.3 13.8 16.7 150 150 A G S S- 0 0 50 -3,-0.4 4,-1.5 -6,-0.1 5,-0.0 -0.989 71.4-124.6-153.3 155.3 -15.8 17.6 14.1 152 152 A I H > S+ 0 0 14 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.814 111.0 62.3 -70.7 -28.9 -16.2 20.4 16.6 153 153 A A H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.921 105.2 43.6 -61.2 -47.0 -19.6 19.0 17.4 154 154 A D H > S+ 0 0 78 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.877 113.0 56.3 -66.7 -34.3 -18.2 15.7 18.6 155 155 A F H >< S+ 0 0 5 -4,-1.5 3,-0.5 2,-0.2 4,-0.2 0.962 113.1 37.3 -59.4 -56.4 -15.6 17.8 20.4 156 156 A T H >< S+ 0 0 14 -4,-3.1 3,-1.9 1,-0.2 7,-0.2 0.863 110.2 62.6 -65.0 -38.4 -18.2 19.8 22.3 157 157 A G H >< S+ 0 0 45 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.806 101.4 52.9 -58.0 -30.1 -20.5 16.8 22.8 158 158 A H T << S+ 0 0 145 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.557 113.5 43.6 -82.9 -5.2 -17.7 15.2 24.8 159 159 A R T <> S+ 0 0 75 -3,-1.9 4,-2.2 -4,-0.2 3,-0.4 0.094 72.0 117.2-125.3 20.9 -17.5 18.2 27.0 160 160 A Q H <> S+ 0 0 42 -3,-0.7 4,-3.5 1,-0.2 5,-0.3 0.871 73.8 60.8 -57.5 -37.2 -21.2 18.9 27.6 161 161 A T H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 109.0 41.6 -56.7 -44.9 -20.7 18.3 31.3 162 162 A A H > S+ 0 0 5 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.862 114.7 52.9 -71.0 -35.1 -18.2 21.1 31.5 163 163 A F H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.899 109.6 47.0 -66.9 -41.6 -20.4 23.2 29.3 164 164 A R H X S+ 0 0 134 -4,-3.5 4,-2.0 2,-0.2 -1,-0.2 0.857 108.4 56.4 -68.5 -32.7 -23.4 22.7 31.5 165 165 A E H X S+ 0 0 42 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.889 107.3 49.6 -64.0 -37.5 -21.3 23.5 34.5 166 166 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.924 108.5 51.7 -65.2 -45.1 -20.5 26.8 32.8 167 167 A E H X>S+ 0 0 20 -4,-2.1 5,-2.5 1,-0.2 4,-1.3 0.854 107.7 53.7 -59.6 -35.5 -24.2 27.5 32.2 168 168 A R H <5S+ 0 0 85 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.850 107.9 49.0 -68.2 -36.7 -24.8 26.8 35.9 169 169 A V H <5S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.849 118.1 41.0 -71.5 -32.3 -22.2 29.4 36.9 170 170 A L H <5S- 0 0 0 -4,-1.9 -135,-0.5 -5,-0.1 -2,-0.2 0.606 102.2-130.0 -88.7 -14.9 -23.8 31.9 34.5 171 171 A N T ><5 + 0 0 35 -4,-1.3 3,-1.7 -5,-0.2 -3,-0.2 0.926 41.4 175.0 58.8 43.3 -27.4 31.0 35.3 172 172 A F G > < + 0 0 2 -5,-2.5 3,-1.8 1,-0.3 6,-0.4 0.775 64.3 66.8 -51.0 -37.0 -27.7 30.8 31.6 173 173 A P G 3 S+ 0 0 70 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.801 105.4 44.4 -61.2 -24.9 -31.3 29.5 31.7 174 174 A Q G < S+ 0 0 122 -3,-1.7 2,-0.2 -142,-0.1 -2,-0.2 -0.159 97.4 111.5-107.9 35.8 -32.4 32.9 33.1 175 175 A S S <> S- 0 0 1 -3,-1.8 4,-3.7 -142,-0.1 5,-0.3 -0.605 80.0-111.9-105.0 168.4 -30.2 34.8 30.6 176 176 A N H > S+ 0 0 70 -146,-0.4 4,-2.0 -145,-0.3 -144,-0.2 0.937 117.6 51.7 -65.0 -48.1 -31.3 37.0 27.7 177 177 A L H 4 S+ 0 0 52 -146,-2.6 -1,-0.2 -149,-0.2 -145,-0.1 0.869 119.9 37.6 -57.1 -36.9 -29.9 34.6 25.0 178 178 A c H >4 S+ 0 0 7 -147,-0.5 3,-1.7 -6,-0.4 -2,-0.2 0.965 119.9 43.5 -80.0 -56.7 -31.9 31.8 26.7 179 179 A L H 3< S+ 0 0 107 -4,-3.7 -3,-0.2 1,-0.3 -2,-0.2 0.958 116.2 45.5 -53.1 -60.9 -35.1 33.7 27.7 180 180 A K T 3< S+ 0 0 149 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.1 0.170 88.3 153.5 -72.1 23.5 -35.5 35.6 24.5 181 181 A R < - 0 0 44 -3,-1.7 3,-0.4 1,-0.1 -3,-0.1 -0.262 41.6-153.2 -56.0 134.8 -34.9 32.3 22.7 182 182 A E S S+ 0 0 198 1,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.498 92.1 53.0 -89.1 -4.9 -36.4 32.0 19.3 183 183 A K > + 0 0 58 1,-0.1 3,-2.6 3,-0.1 -1,-0.2 -0.464 58.0 161.3-127.8 59.6 -36.6 28.2 19.6 184 184 A Q T 3 + 0 0 118 -3,-0.4 -1,-0.1 1,-0.3 4,-0.1 0.532 65.9 83.4 -56.3 -5.3 -38.5 27.7 22.9 185 185 A D T 3 S+ 0 0 150 2,-0.1 -1,-0.3 -3,-0.1 2,-0.3 0.775 90.5 48.2 -70.6 -30.0 -39.1 24.3 21.5 186 186 A E S < S- 0 0 98 -3,-2.6 2,-0.1 1,-0.1 -3,-0.1 -0.742 95.3 -96.7-112.9 160.8 -35.7 23.1 22.6 187 187 A S - 0 0 105 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.471 50.6 -94.0 -74.9 146.1 -33.9 23.3 26.0 188 188 A c + 0 0 20 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.387 53.4 165.2 -63.6 133.8 -31.4 26.1 26.4 189 189 A S > - 0 0 20 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.963 37.1-145.1-152.2 130.5 -27.8 25.1 25.6 190 190 A L H > S+ 0 0 2 -2,-0.3 4,-2.3 1,-0.2 20,-0.3 0.941 104.5 49.1 -61.2 -47.4 -24.7 27.3 24.9 191 191 A T H 4 S+ 0 0 13 1,-0.2 -1,-0.2 2,-0.2 5,-0.2 0.831 115.2 43.5 -63.4 -32.9 -23.4 24.9 22.3 192 192 A Q H 4 S+ 0 0 130 1,-0.2 -1,-0.2 3,-0.1 -2,-0.2 0.883 115.8 47.2 -80.5 -38.2 -26.7 24.7 20.5 193 193 A A H < S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.815 122.0 36.5 -71.2 -32.5 -27.4 28.4 20.6 194 194 A L S < S- 0 0 32 -4,-2.3 16,-2.3 -5,-0.2 -1,-0.3 -0.742 82.3-157.3-124.3 82.1 -23.9 29.3 19.5 195 195 A P - 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