==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 18-FEB-03 1NZJ . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YADB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.CAMPANACCI,D.Y.KERN,H.D.BECKER,S.SPINELLI,C.VALENCIA, . 273 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13325.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 5.9 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 15 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.6 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 1 1 0 0 0 2 2 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 4 A T 0 0 179 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 151.1 57.4 -12.8 2.6 2 5 A Q - 0 0 85 1,-0.1 2,-0.1 33,-0.0 33,-0.1 -0.329 360.0-107.8 -66.2 139.9 58.7 -9.8 4.5 3 6 A Y - 0 0 14 30,-0.4 33,-2.5 27,-0.1 2,-0.4 -0.454 35.3-167.0 -57.9 134.8 57.1 -9.1 7.9 4 7 A I E +a 36 0A 14 31,-0.2 179,-2.3 -2,-0.1 180,-1.6 -0.967 13.2 165.7-132.0 118.9 54.9 -6.0 7.9 5 8 A G E -a 37 0A 1 31,-2.6 33,-2.4 -2,-0.4 2,-0.3 -0.702 11.3-164.5-119.0 175.2 53.7 -4.4 11.1 6 9 A R E -a 38 0A 8 178,-0.4 180,-0.4 31,-0.2 2,-0.4 -0.995 24.1-136.1-159.3 160.1 52.1 -1.0 11.9 7 10 A F E -a 39 0A 13 31,-2.3 33,-2.2 -2,-0.3 180,-0.1 -0.994 22.0-173.2-117.1 128.3 51.1 1.6 14.5 8 11 A A - 0 0 16 -2,-0.4 33,-0.2 31,-0.2 2,-0.1 -0.706 9.3-175.7-128.9 76.4 47.6 3.1 14.0 9 12 A P - 0 0 10 0, 0.0 33,-2.7 0, 0.0 6,-0.0 -0.448 23.0-129.7 -77.7 148.0 46.9 6.0 16.3 10 13 A S > - 0 0 52 31,-0.2 2,-1.2 -2,-0.1 3,-0.7 -0.850 14.4-138.0 -93.2 126.4 43.6 7.9 16.7 11 14 A P T 3 S+ 0 0 4 0, 0.0 39,-2.3 0, 0.0 42,-0.3 -0.182 73.9 111.5 -81.6 44.8 44.0 11.7 16.4 12 15 A S T 3 S- 0 0 80 -2,-1.2 2,-0.3 37,-0.2 31,-0.0 0.454 95.2 -14.1 -88.9 -8.1 41.5 12.3 19.3 13 16 A G S < S- 0 0 31 -3,-0.7 -1,-0.2 37,-0.1 44,-0.1 -0.937 87.1 -77.5-168.7-178.0 44.5 13.5 21.3 14 17 A E - 0 0 94 -2,-0.3 2,-0.1 1,-0.2 40,-0.1 -0.352 64.0 -72.5 -83.5 171.5 48.3 13.5 21.3 15 18 A L - 0 0 5 38,-0.2 208,-2.0 -2,-0.1 2,-0.2 -0.427 52.3-175.6 -63.9 140.0 50.4 10.5 22.2 16 19 A H > - 0 0 100 206,-0.3 4,-2.2 -2,-0.1 3,-0.2 -0.656 46.6 -82.2-123.9-177.9 50.6 9.6 25.9 17 20 A F H > S+ 0 0 71 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.896 127.2 54.1 -60.9 -41.4 52.6 7.0 27.7 18 21 A G H > S+ 0 0 13 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.892 110.8 43.8 -56.5 -45.8 50.1 4.2 26.9 19 22 A S H > S+ 0 0 22 1,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.819 108.2 59.2 -74.9 -28.5 50.2 4.9 23.2 20 23 A L H X S+ 0 0 2 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.905 102.1 55.0 -60.7 -41.7 54.0 5.2 23.2 21 24 A I H X S+ 0 0 3 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.914 109.7 46.1 -55.2 -47.2 54.1 1.6 24.6 22 25 A A H X S+ 0 0 18 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.899 115.3 46.3 -64.6 -42.5 52.0 0.4 21.6 23 26 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.931 115.7 45.6 -62.7 -48.4 54.2 2.3 19.1 24 27 A L H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 5,-0.2 0.918 113.7 47.3 -65.3 -46.5 57.4 1.1 20.7 25 28 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 5,-0.2 0.907 113.5 47.7 -63.5 -42.2 56.5 -2.5 21.0 26 29 A S H X S+ 0 0 2 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.912 114.7 48.0 -63.1 -40.3 55.1 -2.7 17.4 27 30 A Y H X S+ 0 0 30 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.927 112.1 47.6 -63.5 -49.7 58.4 -0.9 16.2 28 31 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.925 112.7 47.5 -64.8 -43.5 60.7 -3.2 18.1 29 32 A Q H X S+ 0 0 15 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.923 114.0 48.5 -62.3 -42.1 59.0 -6.4 17.1 30 33 A A H <>S+ 0 0 0 -4,-2.0 5,-2.8 -5,-0.2 -2,-0.2 0.944 115.0 43.3 -64.0 -48.9 59.0 -5.3 13.4 31 34 A R H ><5S+ 0 0 54 -4,-2.8 3,-1.4 1,-0.2 -1,-0.2 0.856 111.3 54.6 -66.9 -35.4 62.7 -4.2 13.4 32 35 A A H 3<5S+ 0 0 42 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.823 108.7 50.0 -65.1 -32.3 63.7 -7.4 15.3 33 36 A R T 3<5S- 0 0 129 -4,-1.5 -30,-0.4 -5,-0.2 -1,-0.3 0.220 117.1-116.2 -87.7 11.2 62.0 -9.4 12.5 34 37 A Q T < 5S+ 0 0 171 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.848 73.1 134.7 56.1 38.7 63.8 -7.4 9.8 35 38 A G < - 0 0 6 -5,-2.8 2,-0.3 -6,-0.2 -31,-0.2 -0.350 60.4 -88.6-109.1-178.7 60.4 -6.1 8.7 36 39 A R E -a 4 0A 106 -33,-2.5 -31,-2.6 -2,-0.1 2,-0.4 -0.700 29.2-157.9 -89.2 148.8 58.6 -3.0 7.6 37 40 A W E -a 5 0A 0 -2,-0.3 32,-2.8 -33,-0.2 -31,-0.2 -0.979 15.3-172.2-131.8 115.2 56.9 -0.8 10.1 38 41 A L E -a 6 0A 21 -33,-2.4 -31,-2.3 -2,-0.4 2,-0.4 -0.654 15.9-139.9-107.2 159.8 54.1 1.5 8.8 39 42 A V E -a 7 0A 0 30,-0.4 34,-1.7 32,-0.2 2,-0.4 -0.989 15.3-175.6-121.9 131.1 52.0 4.3 10.3 40 43 A R E -b 73 0B 0 -33,-2.2 2,-0.6 -2,-0.4 34,-0.2 -0.992 18.4-143.1-125.6 121.7 48.3 4.8 9.7 41 44 A I E -b 74 0B 0 32,-2.5 34,-2.5 -2,-0.4 2,-1.7 -0.758 9.7-146.2 -84.1 121.5 46.4 7.8 11.0 42 45 A E + 0 0 20 -33,-2.7 2,-1.2 -2,-0.6 3,-0.3 -0.322 45.1 145.9 -84.6 56.2 42.9 6.7 12.1 43 46 A D + 0 0 19 -2,-1.7 -1,-0.1 1,-0.2 6,-0.1 -0.329 17.0 136.4 -87.8 55.7 41.2 10.0 11.1 44 47 A I S S+ 0 0 29 -2,-1.2 123,-0.3 1,-0.3 -1,-0.2 0.713 73.3 32.7 -75.3 -22.2 38.1 8.2 10.0 45 48 A D > + 0 0 40 -3,-0.3 3,-2.2 1,-0.1 -1,-0.3 -0.651 69.3 175.5-138.1 68.0 35.7 10.7 11.6 46 49 A P G > S+ 0 0 65 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.760 75.5 63.2 -58.8 -35.2 37.4 14.2 11.4 47 50 A P G 3 S+ 0 0 123 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.754 109.0 43.8 -52.6 -28.0 34.4 16.2 12.9 48 51 A R G < S+ 0 0 67 -3,-2.2 2,-0.2 2,-0.1 -3,-0.0 0.122 107.3 73.2-106.1 17.9 35.0 14.1 16.1 49 52 A E S < S- 0 0 29 -3,-1.5 -37,-0.2 -4,-0.1 -6,-0.0 -0.645 88.0 -94.2-122.3 179.9 38.8 14.4 16.2 50 53 A V > - 0 0 76 -39,-2.3 3,-2.2 -2,-0.2 4,-0.5 -0.870 31.2-120.8-109.1 119.2 41.1 17.3 17.0 51 54 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.0 0, 0.0 -39,-0.0 -0.293 100.8 16.1 -49.9 131.5 42.6 19.6 14.3 52 55 A G T 3> S+ 0 0 36 1,-0.0 4,-2.1 4,-0.0 5,-0.1 0.169 94.2 106.2 88.9 -17.8 46.4 19.3 14.5 53 56 A A H <> S+ 0 0 8 -3,-2.2 4,-2.5 -42,-0.3 5,-0.2 0.901 76.4 53.2 -66.0 -41.8 46.6 16.1 16.6 54 57 A A H > S+ 0 0 7 -4,-0.5 4,-2.1 -43,-0.2 -1,-0.2 0.933 111.0 46.9 -57.3 -46.0 47.7 13.9 13.7 55 58 A E H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 110.9 52.3 -64.5 -39.0 50.6 16.2 12.9 56 59 A T H X S+ 0 0 43 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.930 108.1 52.2 -61.2 -44.9 51.5 16.3 16.6 57 60 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.915 108.8 49.1 -60.0 -45.0 51.5 12.5 16.8 58 61 A L H X S+ 0 0 24 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.907 112.1 48.9 -64.1 -40.9 53.9 12.2 13.8 59 62 A R H X S+ 0 0 156 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.869 109.6 52.4 -63.9 -37.2 56.3 14.8 15.2 60 63 A Q H X S+ 0 0 20 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.910 106.8 52.6 -65.6 -42.1 56.2 12.9 18.6 61 64 A L H <>S+ 0 0 1 -4,-2.3 5,-2.5 1,-0.2 -1,-0.2 0.931 111.1 47.2 -59.0 -44.4 57.1 9.6 16.9 62 65 A E H ><5S+ 0 0 92 -4,-1.9 3,-1.5 1,-0.2 -1,-0.2 0.906 108.7 54.8 -64.8 -37.8 60.1 11.3 15.2 63 66 A H H 3<5S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.852 109.0 47.9 -63.1 -35.1 61.2 12.9 18.5 64 67 A Y T 3<5S- 0 0 2 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.308 121.0-109.0 -91.0 7.0 61.2 9.5 20.2 65 68 A G T < 5S+ 0 0 4 -3,-1.5 2,-1.2 1,-0.2 -3,-0.2 0.552 73.2 138.8 83.1 11.5 63.3 8.0 17.3 66 69 A L < - 0 0 0 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.669 28.8-179.8 -97.0 81.9 60.4 5.9 15.8 67 70 A H - 0 0 88 -2,-1.2 2,-0.2 -5,-0.1 -30,-0.1 -0.690 12.9-146.3 -91.0 131.3 60.8 6.4 12.1 68 71 A W - 0 0 52 -2,-0.4 2,-0.3 2,-0.1 -30,-0.2 -0.518 11.9-115.0 -96.9 161.4 58.3 4.6 9.8 69 72 A D S S- 0 0 50 -32,-2.8 -30,-0.4 -2,-0.2 -1,-0.0 -0.724 72.2 -11.0 -94.5 144.9 58.7 3.1 6.3 70 73 A G S S- 0 0 63 -2,-0.3 2,-0.3 -32,-0.1 -2,-0.1 -0.174 104.2 -28.4 70.1-160.9 56.9 4.5 3.3 71 74 A D - 0 0 153 1,-0.1 2,-0.3 -33,-0.0 -32,-0.2 -0.642 63.7-107.7 -89.7 148.4 54.0 7.0 3.3 72 75 A V - 0 0 26 -2,-0.3 2,-0.4 -34,-0.1 -32,-0.2 -0.567 31.9-138.2 -67.2 133.5 51.6 7.6 6.1 73 76 A L E -b 40 0B 32 -34,-1.7 -32,-2.5 -2,-0.3 2,-0.5 -0.843 13.1-153.8 -93.9 136.3 48.1 6.2 5.2 74 77 A W E > -b 41 0B 51 -2,-0.4 3,-1.9 -34,-0.2 -32,-0.2 -0.954 12.4-152.2-115.2 120.3 45.2 8.5 6.2 75 78 A Q G > S+ 0 0 1 -34,-2.5 3,-1.9 -2,-0.5 4,-0.2 0.785 96.9 68.0 -62.0 -24.6 41.7 6.9 6.9 76 79 A S G 3 S+ 0 0 49 -35,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.673 101.4 49.0 -64.2 -18.9 40.1 10.2 5.9 77 80 A Q G < S+ 0 0 145 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.071 103.4 64.7-103.5 19.2 41.4 9.4 2.4 78 81 A R X> + 0 0 28 -3,-1.9 4,-1.8 2,-0.1 3,-0.6 0.289 57.8 106.7-126.3 9.0 40.0 5.9 2.4 79 82 A H H 3> S+ 0 0 71 1,-0.2 4,-2.4 -3,-0.2 5,-0.2 0.824 80.6 59.8 -63.5 -29.0 36.2 6.2 2.5 80 83 A D H 3> S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 105.2 48.4 -59.3 -41.9 36.1 5.1 -1.1 81 84 A A H <> S+ 0 0 10 -3,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.878 111.0 49.6 -65.9 -39.3 37.7 1.8 -0.1 82 85 A Y H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.916 110.4 50.7 -67.9 -40.6 35.3 1.3 2.7 83 86 A R H X S+ 0 0 128 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.903 109.5 51.2 -60.8 -42.8 32.3 2.0 0.4 84 87 A E H X S+ 0 0 148 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.901 110.0 49.1 -60.8 -44.3 33.7 -0.5 -2.1 85 88 A A H X S+ 0 0 10 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.896 110.1 51.2 -64.9 -41.5 34.1 -3.2 0.6 86 89 A L H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 109.1 51.4 -60.1 -42.3 30.5 -2.6 1.8 87 90 A A H X S+ 0 0 39 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 109.6 49.6 -63.6 -43.0 29.2 -3.0 -1.8 88 91 A W H X S+ 0 0 97 -4,-2.1 4,-2.2 1,-0.2 6,-0.2 0.939 110.3 50.5 -61.1 -46.7 31.0 -6.3 -2.2 89 92 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 1,-0.2 6,-0.5 0.915 112.6 46.3 -59.3 -43.2 29.6 -7.6 1.1 90 93 A H H ><5S+ 0 0 85 -4,-2.2 3,-1.4 4,-0.2 5,-0.3 0.929 112.5 49.3 -67.0 -44.3 26.1 -6.7 0.1 91 94 A E H 3<5S+ 0 0 139 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.7 53.7 -62.4 -32.4 26.4 -8.1 -3.4 92 95 A Q T 3<5S- 0 0 108 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.366 118.3-107.6 -88.8 5.7 27.8 -11.4 -2.0 93 96 A G T < 5S+ 0 0 46 -3,-1.4 -3,-0.2 -4,-0.2 -2,-0.1 0.704 88.0 116.9 80.2 22.2 24.9 -12.0 0.4 94 97 A L < + 0 0 15 -5,-2.8 37,-2.5 -6,-0.2 2,-0.3 0.252 66.2 38.5-110.9 5.7 27.0 -11.1 3.5 95 98 A S E -C 130 0C 9 -6,-0.5 2,-0.3 35,-0.3 35,-0.2 -0.970 56.3-168.2-147.9 165.9 25.2 -8.0 4.9 96 99 A Y E -C 129 0C 12 33,-2.0 33,-2.7 -2,-0.3 2,-0.4 -0.977 28.7-103.1-152.0 162.5 21.8 -6.5 5.4 97 100 A Y E -C 128 0C 48 24,-0.5 2,-0.5 -2,-0.3 24,-0.4 -0.775 30.9-160.4 -92.2 128.9 20.1 -3.2 6.4 98 101 A C E -C 127 0C 3 29,-2.5 29,-2.5 -2,-0.4 65,-0.0 -0.941 17.0-179.9-115.3 125.1 18.8 -2.8 9.9 99 102 A T + 0 0 51 -2,-0.5 -1,-0.1 27,-0.2 2,-0.1 0.203 39.5 131.7-105.7 13.7 16.1 -0.2 10.9 100 103 A C - 0 0 20 1,-0.1 2,-0.1 27,-0.1 27,-0.1 -0.393 54.6-121.8 -70.1 144.3 16.0 -1.1 14.6 101 104 A T > - 0 0 76 1,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.402 17.4-115.8 -80.7 161.0 16.2 1.7 17.1 102 105 A R H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 117.8 56.7 -57.6 -39.8 18.7 2.1 19.9 103 106 A A H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.894 104.6 51.0 -62.1 -41.8 15.9 1.7 22.4 104 107 A R H > S+ 0 0 63 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.955 112.3 45.4 -60.6 -49.4 14.9 -1.7 20.9 105 108 A I H ><>S+ 0 0 23 -4,-1.9 5,-2.4 1,-0.2 3,-0.7 0.913 112.4 51.9 -63.4 -40.9 18.4 -3.1 21.1 106 109 A Q H ><5S+ 0 0 158 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.891 105.1 57.3 -60.1 -39.2 18.8 -1.7 24.7 107 110 A S H 3<5S+ 0 0 95 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.725 105.5 49.4 -67.9 -24.5 15.5 -3.4 25.7 108 111 A I T <<5S- 0 0 77 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.311 133.7 -80.5-100.1 8.6 16.7 -6.8 24.8 109 112 A G T < 5 - 0 0 66 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.465 66.4 -80.6 109.0 5.1 20.1 -6.6 26.6 110 113 A G S + 0 0 17 43,-0.2 3,-1.7 3,-0.0 4,-0.3 0.681 64.0 154.9 75.6 22.9 19.2 -10.7 14.0 115 118 A H T 3 S+ 0 0 89 1,-0.3 3,-0.5 2,-0.1 -17,-0.0 0.843 73.8 39.7 -45.4 -48.6 15.7 -9.2 13.6 116 119 A C T >> S+ 0 0 1 1,-0.2 3,-1.4 2,-0.1 4,-0.6 0.442 83.1 109.5 -88.6 2.6 16.3 -7.6 10.2 117 120 A R T <4 S+ 0 0 76 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.754 95.3 16.8 -55.9 -34.7 18.4 -10.6 8.8 118 121 A V T 34 S+ 0 0 93 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.121 101.0 93.3-125.0 22.4 15.7 -11.8 6.3 119 122 A L T <4 S- 0 0 81 -3,-1.4 -2,-0.1 -22,-0.1 -1,-0.1 0.615 76.9-143.6 -88.4 -15.0 13.4 -8.8 6.1 120 123 A H < + 0 0 164 -4,-0.6 -3,-0.1 1,-0.1 -22,-0.1 0.840 29.5 178.0 55.1 41.3 15.2 -7.3 3.1 121 124 A H - 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