==== 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 30-NOV-07 3BIH . COMPND 2 MOLECULE: FRUCTOSE-1,6-BISPHOSPHATASE CLASS II GLPX; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.V.LUNIN,T.SKARINA,G.BROWN,A.F.YAKUNIN,A.M.EDWARDS,A.SAVCHE . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 237 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 18.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.6 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 . 26 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 1 1 0 1 0 0 1 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 0 0 2 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 2 1 0 1 0 4 0 1 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 1 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 1 A M 0 0 105 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.1 12.5 5.8 42.4 2 2 A R > + 0 0 43 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.724 360.0 62.6 -69.5 -26.7 14.3 5.6 39.0 3 3 A R G > S+ 0 0 155 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.818 92.5 65.2 -67.4 -23.8 17.4 6.0 41.0 4 4 A E G 3 S+ 0 0 152 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.637 96.0 57.3 -64.0 -19.9 16.4 2.6 42.5 5 5 A L G <> S+ 0 0 25 -3,-1.2 4,-2.2 1,-0.1 3,-0.3 0.580 78.8 92.8 -87.4 -10.5 16.9 1.1 39.1 6 6 A A H <> S+ 0 0 13 -3,-1.2 4,-1.5 -4,-0.4 -1,-0.1 0.884 87.3 48.0 -53.2 -48.7 20.6 2.3 38.8 7 7 A I H > S+ 0 0 99 -4,-0.4 4,-1.6 1,-0.2 -1,-0.3 0.899 109.2 55.2 -56.0 -40.7 21.8 -1.1 40.2 8 8 A E H > S+ 0 0 63 -4,-0.3 4,-1.1 -3,-0.3 -2,-0.2 0.876 106.9 49.1 -60.9 -45.3 19.6 -2.9 37.8 9 9 A F H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.830 106.1 55.8 -66.8 -32.2 21.1 -1.1 34.8 10 10 A S H X S+ 0 0 2 -4,-1.5 4,-2.5 -5,-0.2 -2,-0.2 0.881 105.0 55.0 -67.6 -30.5 24.7 -1.9 36.0 11 11 A R H X S+ 0 0 108 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.824 103.0 56.9 -67.4 -31.7 23.7 -5.6 36.0 12 12 A V H X S+ 0 0 0 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.914 110.9 40.0 -67.9 -45.5 22.6 -5.1 32.4 13 13 A T H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.859 112.6 57.3 -71.7 -34.2 26.1 -3.9 31.3 14 14 A E H X S+ 0 0 19 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.945 110.2 44.7 -57.8 -47.1 27.8 -6.5 33.5 15 15 A S H X S+ 0 0 34 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.905 114.0 47.8 -64.6 -47.2 25.9 -9.3 31.7 16 16 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.896 113.6 48.3 -56.7 -45.2 26.5 -7.9 28.3 17 17 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.961 111.7 49.1 -63.7 -51.5 30.3 -7.5 29.1 18 18 A L H X S+ 0 0 27 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.830 111.7 50.2 -55.4 -36.7 30.6 -11.0 30.5 19 19 A A H < S+ 0 0 15 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.839 112.4 45.2 -71.8 -37.7 28.9 -12.4 27.4 20 20 A G H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.864 106.8 61.6 -71.8 -30.3 31.2 -10.5 25.1 21 21 A Y H >< S+ 0 0 63 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.848 92.1 65.0 -62.6 -32.7 34.2 -11.6 27.3 22 22 A K T 3< S+ 0 0 138 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.798 106.1 44.9 -60.4 -27.7 33.4 -15.3 26.4 23 23 A W T X S+ 0 0 91 -3,-1.2 3,-1.8 -4,-0.4 5,-0.4 0.256 82.1 136.1-101.8 10.6 34.3 -14.5 22.8 24 24 A L T < S+ 0 0 50 -3,-1.9 70,-0.2 1,-0.3 69,-0.1 -0.428 78.9 5.0 -65.6 124.4 37.5 -12.5 23.6 25 25 A G T 3 S+ 0 0 51 68,-2.5 -1,-0.3 -2,-0.2 69,-0.2 0.627 97.2 116.7 82.2 17.0 40.3 -13.4 21.3 26 26 A R S < S- 0 0 175 -3,-1.8 68,-0.1 67,-0.4 69,-0.1 0.496 75.7-127.1-103.1 -1.7 38.0 -15.7 19.2 27 27 A G S S+ 0 0 65 67,-2.2 2,-0.5 -4,-0.2 67,-0.1 0.664 74.4 114.3 72.8 16.2 38.2 -13.8 15.9 28 28 A D > + 0 0 60 -5,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.860 34.9 174.1-128.0 96.5 34.4 -13.7 15.5 29 29 A K H > S+ 0 0 106 -2,-0.5 4,-2.3 2,-0.2 -1,-0.1 0.872 81.7 50.5 -64.1 -43.6 33.0 -10.1 15.7 30 30 A N H > S+ 0 0 126 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.900 111.3 45.7 -67.7 -43.6 29.5 -11.2 14.9 31 31 A T H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 113.4 49.7 -69.7 -36.0 29.2 -13.9 17.5 32 32 A A H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.931 114.4 46.1 -65.7 -47.9 30.7 -11.7 20.2 33 33 A D H >X S+ 0 0 31 -4,-2.3 4,-3.0 2,-0.2 3,-0.5 0.969 111.0 51.6 -53.2 -57.8 28.3 -8.9 19.3 34 34 A G H 3X S+ 0 0 39 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.828 109.1 51.9 -48.7 -40.4 25.3 -11.3 19.2 35 35 A A H 3X S+ 0 0 22 -4,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.881 113.8 42.0 -65.8 -42.1 26.2 -12.7 22.6 36 36 A A H < S+ 0 0 24 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.911 112.4 50.5 -66.1 -42.6 18.5 -8.4 31.2 44 44 A L H >< S+ 0 0 0 -4,-3.0 3,-2.3 1,-0.3 30,-0.3 0.892 102.4 63.7 -62.0 -36.7 16.7 -5.2 30.1 45 45 A N T 3< S+ 0 0 54 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.593 101.2 51.5 -67.5 -8.6 13.5 -7.3 29.7 46 46 A Q T < S+ 0 0 120 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.3 0.337 90.3 96.6-104.4 2.3 13.5 -8.1 33.4 47 47 A V S < S- 0 0 3 -3,-2.3 27,-2.4 -4,-0.2 2,-1.9 -0.776 83.7-115.6 -93.7 140.1 13.9 -4.4 34.5 48 48 A N S S+ 0 0 78 -2,-0.4 30,-0.3 25,-0.2 2,-0.3 -0.489 75.9 102.3 -77.6 76.9 10.7 -2.5 35.5 49 49 A I S S- 0 0 0 -2,-1.9 26,-2.7 -5,-0.2 2,-0.5 -0.933 70.8-128.6-144.2 161.6 10.6 0.1 32.8 50 50 A D E -a 79 0A 49 28,-2.8 30,-1.6 -2,-0.3 23,-0.2 -0.743 47.0-177.7-109.9 79.5 8.7 0.6 29.6 51 51 A G E -aB 80 72A 0 21,-2.3 21,-2.2 -2,-0.5 2,-0.4 -0.496 22.6-162.0 -83.7 144.9 11.7 1.3 27.4 52 52 A T E -aB 81 71A 44 28,-1.8 30,-2.4 19,-0.2 2,-0.7 -0.989 28.3-121.7-117.8 135.5 11.9 2.1 23.7 53 53 A I E +a 82 0A 0 17,-2.4 16,-3.0 -2,-0.4 30,-0.2 -0.685 40.7 163.8 -78.5 117.3 15.2 1.6 21.9 54 54 A V E S+ 0 0 11 28,-3.2 2,-0.4 -2,-0.7 29,-0.2 0.725 73.2 28.4-106.0 -35.7 16.2 5.0 20.6 55 55 A I E S+a 83 0A 10 27,-1.8 29,-2.7 59,-0.1 -1,-0.4 -0.995 90.8 114.2-125.4 124.6 19.8 4.2 19.9 56 56 A G S S- 0 0 24 -2,-0.4 11,-0.2 27,-0.2 10,-0.1 -0.717 71.5 -41.3-160.6-151.0 20.7 0.6 19.1 57 57 A E S S- 0 0 68 9,-2.6 2,-0.3 -2,-0.2 10,-0.2 0.612 93.4 -78.0 -75.8 -17.4 21.9 -2.1 16.7 58 58 A G B -h 67 0B 15 8,-0.5 10,-1.9 5,-0.1 -1,-0.2 -0.896 66.8 -38.2 147.0-176.8 20.1 -0.9 13.6 59 59 A E >> - 0 0 70 -2,-0.3 4,-2.6 8,-0.2 3,-1.7 -0.448 66.2-101.3 -74.9 157.0 16.6 -0.9 12.0 60 60 A I T 34 S+ 0 0 106 8,-0.4 -1,-0.1 1,-0.3 7,-0.0 0.785 120.6 62.4 -51.9 -33.3 14.6 -4.1 12.3 61 61 A A T 34 S+ 0 0 91 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.822 119.0 25.8 -63.0 -33.8 15.4 -5.2 8.8 62 62 A E T <4 S+ 0 0 157 -3,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.696 126.6 45.1-100.7 -27.2 19.1 -5.3 9.7 63 63 A A < - 0 0 8 -4,-2.6 -1,-0.2 1,-0.1 4,-0.1 -0.900 54.6-174.6-126.9 100.0 19.0 -6.0 13.5 64 64 A P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 3,-0.2 0.752 79.3 44.1 -64.9 -22.9 16.5 -8.6 14.8 65 65 A M S S+ 0 0 44 1,-0.2 -8,-0.2 5,-0.0 -27,-0.1 -0.963 120.1 8.6-125.6 150.9 17.4 -7.7 18.4 66 66 A L S S+ 0 0 0 -2,-0.3 -9,-2.6 1,-0.2 -8,-0.5 0.873 85.1 164.5 46.2 46.8 17.8 -4.2 20.0 67 67 A Y B > -h 58 0B 59 -3,-0.2 3,-1.9 -10,-0.2 -14,-0.3 -0.425 49.5 -82.8 -82.0 162.6 16.5 -2.5 16.8 68 68 A I T 3 S+ 0 0 41 -10,-1.9 -8,-0.4 1,-0.3 -14,-0.2 -0.521 119.6 24.4 -73.0 130.1 15.3 1.1 16.8 69 69 A G T 3 S+ 0 0 40 -16,-3.0 -1,-0.3 1,-0.3 -15,-0.1 0.160 88.0 142.8 99.6 -14.3 11.8 1.3 18.1 70 70 A E < - 0 0 8 -3,-1.9 -17,-2.4 -17,-0.2 2,-0.3 -0.340 47.9-130.6 -63.9 139.1 11.9 -2.0 20.1 71 71 A K E +B 52 0A 110 -19,-0.2 2,-0.3 -2,-0.0 -19,-0.2 -0.733 31.5 176.3 -86.9 135.8 10.1 -2.2 23.4 72 72 A V E +B 51 0A 3 -21,-2.2 -21,-2.3 -2,-0.3 3,-0.2 -0.946 33.1 50.9-141.8 157.7 12.1 -3.5 26.4 73 73 A G S S- 0 0 19 -2,-0.3 -25,-0.2 -32,-0.3 -28,-0.2 -0.302 94.7 -73.9 103.7 169.5 11.5 -3.9 30.0 74 74 A T - 0 0 64 -27,-2.4 -24,-0.2 -30,-0.3 -26,-0.2 0.605 64.9-116.9 -74.9 -14.7 8.7 -5.6 31.9 75 75 A G S S+ 0 0 45 -26,-2.7 -25,-0.2 1,-0.4 2,-0.1 0.276 81.7 113.3 89.9 -11.9 6.4 -2.6 30.9 76 76 A R + 0 0 183 -27,-0.3 -1,-0.4 -29,-0.1 -2,-0.1 -0.417 64.0 27.4 -75.7 167.6 6.0 -1.6 34.6 77 77 A G S S- 0 0 57 -28,-0.2 -28,-0.2 -2,-0.1 2,-0.0 -0.218 105.5 -14.1 70.1-165.1 7.5 1.8 35.6 78 78 A D - 0 0 81 -30,-0.3 -28,-2.8 1,-0.1 2,-0.5 -0.305 61.5-111.8 -78.8 147.9 8.2 4.8 33.5 79 79 A A E +a 50 0A 42 -30,-0.2 30,-0.9 -28,-0.1 2,-0.3 -0.687 51.9 179.0 -66.5 124.0 8.3 5.1 29.8 80 80 A V E -aC 51 108A 3 -30,-1.6 -28,-1.8 -2,-0.5 2,-0.3 -0.956 32.6-120.4-135.1 146.9 12.0 5.8 29.2 81 81 A D E -aC 52 107A 13 26,-1.6 26,-1.9 -2,-0.3 2,-0.4 -0.709 33.2-153.7 -78.8 139.8 14.3 6.3 26.1 82 82 A I E -aC 53 106A 0 -30,-2.4 -28,-3.2 -2,-0.3 -27,-1.8 -0.979 14.9-170.3-122.9 131.6 17.0 3.6 25.9 83 83 A A E -aC 55 105A 2 22,-2.9 22,-2.4 -2,-0.4 2,-0.4 -0.984 14.4-174.0-112.4 126.5 20.4 3.9 24.2 84 84 A V E + C 0 104A 4 -29,-2.7 20,-0.2 -2,-0.5 3,-0.1 -0.973 24.3 170.9-122.0 134.1 22.4 0.6 23.9 85 85 A D E - C 0 103A 23 18,-3.3 18,-3.0 -2,-0.4 3,-0.4 -0.738 14.9-173.3-132.7 84.3 25.9 -0.1 22.8 86 86 A P E S+ 0 0 0 0, 0.0 2,-0.4 0, 0.0 -66,-0.1 0.843 78.6 12.8 -55.5 -40.6 26.2 -3.8 23.7 87 87 A I E - 0 0 5 15,-0.2 2,-0.9 -3,-0.1 3,-0.5 -0.932 64.5-166.5-133.5 115.1 29.9 -3.8 22.8 88 88 A E E S+ C 0 101A 19 13,-4.6 13,-2.4 -2,-0.4 99,-0.1 -0.894 89.2 31.2 -88.5 105.6 31.7 -0.6 22.2 89 89 A G > + 0 0 13 -2,-0.9 4,-1.6 11,-0.2 -1,-0.2 0.806 66.0 161.4 109.0 49.5 34.8 -2.2 20.6 90 90 A T H > S+ 0 0 23 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.903 76.5 54.0 -66.4 -43.8 33.6 -5.4 18.8 91 91 A R H > S+ 0 0 88 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.953 111.4 46.2 -56.1 -46.5 36.7 -5.6 16.5 92 92 A M H >>S+ 0 0 9 2,-0.2 5,-3.5 1,-0.2 4,-0.6 0.776 107.8 55.2 -68.2 -33.5 38.9 -5.5 19.6 93 93 A T H ><5S+ 0 0 0 -4,-1.6 -68,-2.5 3,-0.2 3,-0.9 0.945 111.1 46.1 -58.4 -50.0 36.8 -8.1 21.5 94 94 A A H 3<5S+ 0 0 7 -4,-2.4 -67,-2.2 1,-0.2 -2,-0.2 0.842 119.3 42.1 -60.2 -33.7 37.4 -10.4 18.5 95 95 A M H 3<5S- 0 0 115 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.423 110.6-117.2 -96.4 0.7 41.1 -9.5 18.4 96 96 A G T <<5 + 0 0 43 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.902 65.3 148.5 60.1 43.6 41.7 -9.7 22.2 97 97 A Q < - 0 0 79 -5,-3.5 3,-0.5 1,-0.2 -1,-0.2 -0.618 48.1 -88.2-109.3 166.1 42.6 -5.9 22.3 98 98 A A S S+ 0 0 53 -2,-0.2 189,-0.2 1,-0.2 -1,-0.2 -0.033 94.3 37.9 -64.3 165.9 42.2 -3.1 24.8 99 99 A N + 0 0 23 187,-2.5 2,-0.4 1,-0.2 88,-0.2 0.620 66.2 142.6 68.8 20.6 39.2 -0.7 25.2 100 100 A A + 0 0 1 -3,-0.5 184,-2.3 186,-0.2 185,-1.4 -0.754 22.8 159.4 -84.6 138.6 36.2 -3.0 24.6 101 101 A L E -CD 88 283A 8 -13,-2.4 -13,-4.6 -2,-0.4 2,-0.5 -0.986 39.2-120.0-154.5 161.3 33.3 -2.1 26.9 102 102 A A E - D 0 282A 0 180,-2.4 180,-2.2 -2,-0.3 2,-0.4 -0.931 33.9-165.0-110.2 130.6 29.5 -2.6 27.2 103 103 A V E +CD 85 281A 1 -18,-3.0 -18,-3.3 -2,-0.5 2,-0.3 -0.935 17.2 168.6-128.1 136.4 27.4 0.6 27.3 104 104 A L E -CD 84 280A 0 176,-2.6 176,-2.9 -2,-0.4 2,-0.4 -0.997 7.2-173.2-143.4 139.8 23.8 1.6 28.2 105 105 A A E -CD 83 279A 0 -22,-2.4 -22,-2.9 -2,-0.3 2,-0.4 -0.996 4.8-167.6-129.4 136.9 22.1 5.0 28.8 106 106 A V E +CD 82 278A 0 172,-2.9 172,-2.8 -2,-0.4 2,-0.2 -0.993 16.9 162.6-125.9 128.4 18.5 5.5 30.1 107 107 A G E -CD 81 277A 0 -26,-1.9 -26,-1.6 -2,-0.4 170,-0.2 -0.770 44.1 -67.6-132.5-178.2 16.7 8.9 30.0 108 108 A D E > S-C 80 0A 46 168,-0.5 3,-2.3 -2,-0.2 4,-0.3 -0.290 71.5 -79.3 -63.3 154.9 13.3 10.4 30.2 109 109 A K T 3 S+ 0 0 153 -30,-0.9 -1,-0.2 1,-0.3 -29,-0.1 -0.350 124.1 16.7 -51.6 133.0 10.9 9.6 27.3 110 110 A G T 3 S+ 0 0 39 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.516 92.0 119.6 78.0 3.7 12.0 11.9 24.4 111 111 A C < + 0 0 2 -3,-2.3 162,-2.1 161,-0.1 2,-0.5 0.837 58.8 67.2 -71.0 -35.3 15.4 12.7 26.0 112 112 A F B S-I 272 0C 4 -4,-0.3 160,-0.2 160,-0.2 2,-0.1 -0.766 84.4-120.2 -99.7 129.5 17.6 11.4 23.2 113 113 A L - 0 0 11 158,-2.3 2,-1.5 -2,-0.5 102,-0.1 -0.413 24.5-133.0 -55.3 125.3 17.9 12.8 19.8 114 114 A N - 0 0 58 144,-0.1 -1,-0.1 -2,-0.1 -59,-0.1 -0.704 37.3-178.6 -82.7 86.5 16.8 10.0 17.3 115 115 A A - 0 0 8 -2,-1.5 140,-0.0 -61,-0.1 100,-0.0 -0.674 26.3-118.3 -86.7 145.1 19.8 10.5 15.0 116 116 A P - 0 0 10 0, 0.0 2,-1.6 0, 0.0 95,-0.1 -0.272 43.3 -87.2 -69.4 168.6 20.1 8.4 11.8 117 117 A D S S+ 0 0 130 94,-0.1 2,-0.2 93,-0.1 93,-0.0 -0.653 90.5 107.7 -80.0 88.8 23.2 6.1 11.5 118 118 A M S S- 0 0 8 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29.1 15.6 138 138 A P > - 0 0 78 0, 0.0 4,-2.7 0, 0.0 3,-0.2 -0.204 35.0-115.1 -47.4 142.0 36.9 27.8 14.1 139 139 A L H > S+ 0 0 21 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.927 115.6 52.8 -45.1 -55.9 38.6 24.9 15.8 140 140 A A H > S+ 0 0 13 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.875 110.3 48.7 -52.5 -42.9 41.7 27.0 16.8 141 141 A D H > S+ 0 0 66 -3,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.919 112.2 49.5 -62.2 -46.9 39.5 29.6 18.3 142 142 A N H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.942 110.9 48.6 -56.9 -48.5 37.6 26.8 20.2 143 143 A L H X S+ 0 0 0 -4,-3.3 4,-3.5 1,-0.2 -2,-0.2 0.931 110.9 50.2 -62.2 -44.5 40.9 25.3 21.5 144 144 A R H X S+ 0 0 119 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.901 110.9 49.3 -54.8 -46.8 42.2 28.6 22.7 145 145 A N H X S+ 0 0 69 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.911 113.2 47.2 -64.9 -38.5 39.0 29.3 24.5 146 146 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.962 110.0 51.8 -66.1 -50.5 39.1 25.9 26.2 147 147 A A H X>S+ 0 0 3 -4,-3.5 5,-2.1 1,-0.2 4,-1.5 0.927 111.5 48.8 -50.9 -46.5 42.8 26.2 27.2 148 148 A A H <5S+ 0 0 77 -4,-2.4 3,-0.3 2,-0.2 -1,-0.2 0.925 110.8 49.0 -61.2 -46.1 41.9 29.6 28.8 149 149 A A H <5S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.902 114.4 46.1 -59.1 -38.4 38.9 28.2 30.7 150 150 A L H <5S- 0 0 59 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.696 111.0-128.1 -78.8 -17.2 41.1 25.4 31.9 151 151 A G T <5 + 0 0 68 -4,-1.5 -3,-0.2 1,-0.3 -4,-0.1 0.886 67.0 115.8 74.7 41.3 43.9 27.8 32.8 152 152 A K S > - 0 0 67 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.407 37.4-114.8 -58.6 151.9 48.8 27.2 27.9 154 154 A L G >4 S+ 0 0 39 1,-0.3 3,-0.7 2,-0.2 26,-0.3 0.852 115.3 63.4 -54.7 -39.8 47.5 26.0 24.5 155 155 A S G 34 S+ 0 0 72 1,-0.3 -1,-0.3 24,-0.1 23,-0.1 0.687 102.7 48.9 -61.1 -26.5 50.7 23.8 24.2 156 156 A E G <4 S+ 0 0 111 -3,-1.4 -1,-0.3 23,-0.1 -2,-0.2 0.721 85.8 112.3 -81.6 -25.8 49.6 21.8 27.3 157 157 A L << - 0 0 0 -4,-0.9 23,-2.7 -3,-0.7 2,-0.5 -0.206 56.9-149.6 -58.5 131.9 46.0 21.3 25.9 158 158 A T E -l 180 0D 3 43,-0.3 45,-2.4 21,-0.2 46,-1.9 -0.928 13.3-173.8-113.3 120.2 45.3 17.6 25.1 159 159 A V E -lm 181 204D 0 21,-3.1 23,-2.3 -2,-0.5 2,-0.3 -0.942 8.9-156.2-113.3 124.6 42.8 16.8 22.3 160 160 A T E +lm 182 205D 2 44,-3.1 46,-2.0 -2,-0.5 2,-0.3 -0.780 22.2 164.4 -99.7 145.5 41.8 13.2 21.6 161 161 A I E -l 183 0D 0 21,-2.1 23,-2.3 -2,-0.3 2,-0.2 -0.982 43.1 -88.4-157.7 147.8 40.5 12.4 18.2 162 162 A L E -l 184 0D 13 44,-0.3 2,-1.9 -2,-0.3 5,-0.1 -0.466 37.4-125.2 -65.2 130.8 39.9 9.2 16.1 163 163 A A + 0 0 53 21,-2.9 -1,-0.1 -2,-0.2 20,-0.0 -0.551 62.4 132.0 -80.0 84.2 42.9 8.1 14.0 164 164 A K S > S- 0 0 75 -2,-1.9 3,-2.7 1,-0.1 4,-0.3 -0.959 71.2-110.3-135.6 149.0 41.3 8.1 10.6 165 165 A P G > S+ 0 0 109 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.830 115.4 64.4 -49.5 -35.0 42.3 9.5 7.2 166 166 A R G 3 S+ 0 0 56 1,-0.3 4,-0.3 2,-0.1 3,-0.1 0.700 102.2 51.5 -59.2 -21.4 39.5 12.1 7.4 167 167 A H G <> S+ 0 0 4 -3,-2.7 4,-2.3 -5,-0.1 -1,-0.3 0.379 79.5 95.8-101.7 2.0 41.3 13.6 10.4 168 168 A D H <> S+ 0 0 103 -3,-1.7 4,-2.9 -4,-0.3 5,-0.3 0.964 86.7 46.6 -53.5 -57.2 44.8 14.0 8.9 169 169 A A H > S+ 0 0 79 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.900 116.3 44.2 -56.7 -43.5 44.4 17.6 8.0 170 170 A V H > S+ 0 0 20 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.827 112.0 52.5 -74.4 -30.9 42.9 18.6 11.3 171 171 A I H X S+ 0 0 25 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.962 110.5 48.4 -65.9 -47.9 45.5 16.6 13.3 172 172 A A H X S+ 0 0 58 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.891 112.0 51.1 -55.5 -41.1 48.3 18.4 11.3 173 173 A E H X S+ 0 0 93 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.894 111.0 46.1 -65.9 -40.7 46.6 21.7 12.1 174 174 A M H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 4,-0.5 0.874 114.0 48.5 -70.7 -36.3 46.3 21.0 15.8 175 175 A Q H ><5S+ 0 0 103 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.983 109.3 51.9 -68.9 -53.3 49.9 19.8 16.0 176 176 A Q H 3<5S+ 0 0 184 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.765 107.1 57.3 -44.3 -27.8 51.0 23.0 14.1 177 177 A L T 3<5S- 0 0 46 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.644 119.5-112.3 -85.0 -14.1 49.1 24.8 16.8 178 178 A G T < 5 + 0 0 36 -3,-2.6 -3,-0.2 -4,-0.5 2,-0.1 0.505 70.0 139.4 95.0 5.5 51.1 23.3 19.6 179 179 A V < - 0 0 8 -5,-2.1 2,-0.4 -23,-0.1 -1,-0.3 -0.476 57.5-116.0 -76.9 145.9 48.3 21.2 21.0 180 180 A R E -l 158 0D 100 -23,-2.7 -21,-3.1 -26,-0.3 2,-0.5 -0.779 31.8-154.7 -81.0 132.9 49.0 17.5 22.2 181 181 A V E -l 159 0D 25 -2,-0.4 2,-0.9 -23,-0.2 -21,-0.2 -0.946 13.6-165.9-120.7 113.3 47.0 15.1 20.1 182 182 A F E -l 160 0D 74 -23,-2.3 -21,-2.1 -2,-0.5 2,-0.7 -0.853 14.1-164.2 -95.7 96.7 45.9 11.6 21.3 183 183 A A E -l 161 0D 51 -2,-0.9 -21,-0.2 -23,-0.2 -23,-0.1 -0.776 10.7-155.3 -90.5 112.8 44.9 9.8 18.1 184 184 A I E -l 162 0D 14 -23,-2.3 -21,-2.9 -2,-0.7 4,-0.0 -0.682 21.5-156.1-100.8 141.3 42.9 6.8 19.2 185 185 A P S S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 0.934 80.3 55.1 -74.8 -40.6 42.4 3.6 17.2 186 186 A D S S- 0 0 30 1,-0.2 2,-0.2 -24,-0.0 -23,-0.1 0.777 98.7 -58.2 -68.9-130.5 39.1 2.6 19.0 187 187 A G > - 0 0 18 -88,-0.2 4,-0.7 -99,-0.1 -1,-0.2 -0.757 33.2-120.2-127.8 170.1 35.9 4.6 19.3 188 188 A D H > S+ 0 0 7 -2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.459 89.2 80.3-101.7 -1.7 34.8 7.9 20.8 189 189 A V H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.1 3,-0.2 0.986 102.3 34.8 -65.0 -60.5 32.3 7.0 23.5 190 190 A A H >> S+ 0 0 8 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.901 116.1 56.6 -60.5 -44.0 34.8 6.1 26.2 191 191 A A H >X S+ 0 0 6 -4,-0.7 3,-1.0 1,-0.2 4,-0.7 0.850 99.8 59.5 -56.3 -37.8 37.3 8.7 25.1 192 192 A S H >< S+ 0 0 0 -4,-1.5 3,-0.6 1,-0.3 4,-0.3 0.853 100.2 56.2 -64.5 -31.6 34.6 11.5 25.5 193 193 A I H X< S+ 0 0 0 -4,-1.0 3,-1.6 -3,-0.6 4,-0.3 0.746 91.4 71.1 -72.0 -20.7 34.2 10.7 29.2 194 194 A L H X< S+ 0 0 9 -3,-1.0 3,-2.2 -4,-0.7 6,-0.3 0.895 84.4 70.0 -64.9 -33.8 37.9 11.2 29.8 195 195 A T T << S+ 0 0 13 -4,-0.7 -69,-0.4 -3,-0.6 -1,-0.3 0.732 105.6 40.9 -49.5 -24.1 37.3 15.0 29.2 196 196 A C T < S+ 0 0 19 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.358 92.7 94.5-109.5 0.4 35.5 14.8 32.6 197 197 A M X - 0 0 32 -3,-2.2 3,-2.1 -4,-0.3 5,-0.1 -0.856 64.2-151.9 -96.3 113.9 37.9 12.5 34.5 198 198 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.814 94.3 55.1 -53.9 -32.1 40.4 14.7 36.5 199 199 A D T 3 S+ 0 0 165 -3,-0.1 2,-0.4 2,-0.0 -5,-0.1 0.537 89.9 88.3 -85.6 -6.5 43.1 12.0 36.3 200 200 A S S < S- 0 0 31 -3,-2.1 89,-0.0 -6,-0.3 88,-0.0 -0.755 71.6-143.2 -86.6 142.0 43.0 11.7 32.5 201 201 A E S S+ 0 0 108 -2,-0.4 -43,-0.3 -44,-0.0 2,-0.2 0.667 72.4 108.1 -68.5 -21.5 45.3 14.1 30.5 202 202 A V + 0 0 7 1,-0.2 -5,-0.2 -5,-0.1 -43,-0.2 -0.422 36.3 166.2 -65.3 124.1 42.5 14.4 27.8 203 203 A D + 0 0 21 -45,-2.4 -77,-0.6 1,-0.3 2,-0.3 0.724 62.4 20.1-103.1 -35.9 40.9 17.8 28.0 204 204 A V E -Jm 125 159D 0 -46,-1.9 -44,-3.1 -79,-0.1 2,-0.5 -0.980 55.3-152.5-138.5 143.4 38.9 17.8 24.7 205 205 A L E +Jm 124 160D 4 -81,-2.2 -81,-2.7 -2,-0.3 2,-0.4 -0.983 24.7 171.8-111.8 137.5 37.5 15.4 22.1 206 206 A Y E +J 123 0D 26 -46,-2.0 -44,-0.3 -2,-0.5 -83,-0.2 -0.990 23.2 57.4-138.7 145.7 37.2 16.7 18.7 207 207 A G E S-J 122 0D 3 -85,-2.0 -85,-2.1 -2,-0.4 2,-0.6 -0.576 74.7 -46.2 134.2 178.6 36.3 15.1 15.4 208 208 A I E +J 121 0D 24 -87,-0.2 -87,-0.2 -2,-0.2 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