==== 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 15-AUG-00 1FLZ . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.M.WERNER,Y.L.JIANG,R.G.GORDLEY,G.J.JAGADEESH,J.E.LADNER,G. . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 0 0.0 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 . 1 0.4 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 . 27 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 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 3 0 0 0 1 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A A 0 0 93 0, 0.0 3,-0.1 0, 0.0 153,-0.0 0.000 360.0 360.0 360.0 142.0 70.7 5.4 50.2 2 3 A N - 0 0 136 1,-0.1 2,-1.2 0, 0.0 0, 0.0 0.091 360.0 -80.3 -56.7 170.1 72.3 7.8 52.8 3 4 A E + 0 0 144 2,-0.0 2,-0.6 50,-0.0 -1,-0.1 -0.678 54.2 171.5 -90.2 94.9 71.1 11.2 53.6 4 5 A L - 0 0 55 -2,-1.2 2,-0.2 -3,-0.1 49,-0.2 -0.910 17.8-153.9-106.2 110.9 72.3 13.6 50.9 5 6 A T >> - 0 0 55 -2,-0.6 4,-1.8 1,-0.1 3,-1.5 -0.551 28.6-115.7 -83.5 146.2 70.8 17.1 50.9 6 7 A W H 3>>S+ 0 0 10 1,-0.3 4,-4.3 2,-0.2 5,-0.5 0.823 118.6 66.1 -49.7 -33.3 70.6 19.1 47.7 7 8 A H H 3>5S+ 0 0 146 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.946 106.8 41.8 -51.2 -46.9 73.0 21.4 49.4 8 9 A D H <45S+ 0 0 77 -3,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.966 121.3 39.6 -61.8 -58.6 75.4 18.5 49.2 9 10 A V H <5S+ 0 0 23 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.726 116.5 46.5 -69.4 -29.0 74.4 17.5 45.6 10 11 A L H X5S+ 0 0 13 -4,-4.3 4,-1.3 -5,-0.2 3,-0.5 0.933 86.9 97.3 -81.6 -42.2 74.1 20.9 44.0 11 12 A A H >X4 S+ 0 0 12 -3,-0.5 3,-1.4 -4,-0.3 -1,-0.3 0.846 105.3 49.3 -32.3 -59.3 77.1 22.7 40.2 14 15 A K H << S+ 0 0 85 -3,-2.0 2,-2.1 -4,-1.3 6,-0.4 0.970 109.2 54.9 -45.0 -61.5 76.3 26.0 41.9 15 16 A Q T 3< S+ 0 0 148 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 -0.087 94.9 109.9 -66.5 38.3 80.0 26.8 41.7 16 17 A Q <> - 0 0 47 -2,-2.1 4,-2.5 -3,-1.4 5,-0.2 -0.910 68.3-126.6-127.5 153.6 80.1 26.2 38.0 17 18 A P H > S+ 0 0 92 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.907 101.2 48.5 -51.3-102.5 80.5 28.2 34.8 18 19 A H H 4 S+ 0 0 67 1,-0.2 121,-0.3 2,-0.2 125,-0.1 0.599 118.6 46.4 -6.1 -59.0 77.6 27.5 32.4 19 20 A F H >> S+ 0 0 10 -6,-0.2 3,-3.0 1,-0.2 4,-1.1 0.992 112.2 46.9 -55.5 -71.8 75.3 28.0 35.4 20 21 A L H >X S+ 0 0 66 -4,-2.5 4,-2.1 -3,-0.4 3,-0.7 0.841 108.1 57.9 -37.4 -45.7 77.0 31.3 36.6 21 22 A N H 3< S+ 0 0 94 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.179 107.0 50.6 -75.1 21.0 76.9 32.5 33.0 22 23 A T H <> S+ 0 0 1 -3,-3.0 4,-1.4 -5,-0.3 -1,-0.2 0.429 104.0 52.8-125.7 -24.6 73.1 32.0 33.2 23 24 A L H S+ 0 0 55 -5,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.943 120.4 42.6 -55.5 -41.4 72.2 36.3 31.5 26 27 A V H X S+ 0 0 12 -4,-1.4 4,-1.7 2,-0.2 5,-0.4 0.994 109.1 49.1 -65.0 -83.1 69.4 36.6 34.1 27 28 A A H X S+ 0 0 56 -4,-3.9 4,-1.5 1,-0.2 -3,-0.2 0.809 112.4 59.7 -25.7 -49.2 70.5 39.3 36.5 28 29 A S H >X S+ 0 0 52 -4,-2.1 3,-2.8 -5,-0.3 4,-1.0 0.963 104.2 37.4 -51.5 -85.0 71.1 41.3 33.4 29 30 A E H 3< S+ 0 0 40 -4,-1.5 3,-0.4 1,-0.3 -1,-0.2 0.804 113.0 57.9 -42.4 -34.6 67.9 41.6 31.5 30 31 A R H >< S+ 0 0 54 -4,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.920 108.3 51.9 -57.2 -36.1 65.9 41.9 34.7 31 32 A Q H << S+ 0 0 150 -3,-2.8 -2,-0.3 -4,-1.5 -1,-0.3 0.721 93.5 67.2 -69.8 -27.6 68.3 44.8 35.1 32 33 A S T 3< S- 0 0 96 -4,-1.0 2,-0.7 -3,-0.4 -1,-0.3 0.192 124.8-100.8 -81.5 19.5 67.5 46.3 31.6 33 34 A G S < S+ 0 0 56 -3,-0.9 -1,-0.1 1,-0.3 -3,-0.1 -0.384 80.8 138.9 96.3 -52.3 64.1 47.0 33.2 34 35 A V - 0 0 57 -2,-0.7 2,-0.4 -5,-0.2 -1,-0.3 0.176 57.6-117.7 -25.3 124.0 62.5 44.0 31.5 35 36 A T - 0 0 90 -3,-0.1 2,-0.4 94,-0.1 -1,-0.1 -0.590 34.4-170.0 -79.8 127.8 60.1 42.2 33.8 36 37 A I - 0 0 13 -2,-0.4 92,-0.2 -6,-0.1 93,-0.1 -0.951 19.7 -99.8-123.6 137.8 61.1 38.6 34.5 37 38 A Y B S+A 127 0A 45 90,-3.0 90,-1.6 -2,-0.4 35,-0.1 -0.866 88.5 14.7-109.4 138.1 59.2 35.8 36.3 38 39 A P S S- 0 0 0 0, 0.0 5,-0.2 0, 0.0 34,-0.1 0.687 90.8-104.3 -95.7 175.1 59.5 34.8 39.0 39 40 A P >> - 0 0 60 0, 0.0 3,-2.2 0, 0.0 4,-0.9 -0.203 41.3-106.2 -52.0 151.5 61.3 37.2 41.2 40 41 A Q T 34 S+ 0 0 141 1,-0.3 3,-0.4 2,-0.2 4,-0.4 0.772 117.8 60.6 -49.2 -39.3 64.9 35.9 41.9 41 42 A K T 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.633 109.1 46.2 -67.4 -12.5 64.2 34.9 45.5 42 43 A D T X4 S+ 0 0 5 -3,-2.2 3,-1.8 1,-0.1 4,-0.3 0.623 82.0 101.8-101.5 -20.7 61.6 32.5 44.1 43 44 A V T 3< S+ 0 0 13 -4,-0.9 3,-0.3 -3,-0.4 -2,-0.1 0.752 95.3 24.5 -31.3 -57.3 63.7 31.0 41.2 44 45 A F T >> S+ 0 0 57 -4,-0.4 3,-1.3 1,-0.2 4,-0.8 0.398 79.4 133.2 -96.9 1.0 64.6 27.7 42.9 45 46 A N H X> + 0 0 13 -3,-1.8 4,-1.5 1,-0.3 3,-0.9 0.651 64.3 66.1 -18.9 -43.5 61.7 27.7 45.2 46 47 A A H >> S+ 0 0 4 27,-0.7 4,-1.9 -3,-0.3 3,-1.1 0.967 96.8 49.6 -49.1 -66.0 61.1 24.0 44.2 47 48 A F H <4 S+ 0 0 22 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.699 108.3 61.1 -48.4 -19.2 64.3 22.6 45.8 48 49 A R H << S+ 0 0 140 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.921 108.9 36.0 -75.9 -47.5 63.1 24.6 48.8 49 50 A F H << S+ 0 0 43 -4,-1.5 2,-0.5 -3,-1.1 -2,-0.2 0.845 123.4 36.5 -77.5 -37.8 59.8 22.7 49.4 50 51 A T S < S- 0 0 3 -4,-1.9 2,-0.3 66,-0.1 -1,-0.2 -0.975 77.1-148.2-123.2 115.6 60.7 19.2 48.4 51 52 A E - 0 0 57 -2,-0.5 4,-0.5 -3,-0.1 3,-0.2 -0.622 27.6-111.2 -87.7 143.4 64.2 17.9 49.2 52 53 A L S > S+ 0 0 4 -2,-0.3 3,-1.0 1,-0.2 -47,-0.1 0.776 117.6 51.3 -36.5 -41.5 66.0 15.3 47.1 53 54 A G T 3 S+ 0 0 27 1,-0.3 -1,-0.2 -49,-0.2 -48,-0.1 0.989 108.1 48.6 -63.8 -57.8 65.6 12.7 49.8 54 55 A D T 3 S+ 0 0 114 -3,-0.2 2,-0.6 64,-0.0 -1,-0.3 0.384 84.8 133.3 -64.0 7.3 61.9 13.2 50.3 55 56 A V < + 0 0 6 -3,-1.0 63,-0.1 -4,-0.5 3,-0.1 -0.508 13.0 148.8 -72.0 112.9 61.6 13.0 46.5 56 57 A K + 0 0 58 61,-1.7 103,-1.0 -2,-0.6 2,-0.3 0.774 66.3 15.9-106.1 -49.6 58.8 10.6 45.5 57 58 A V E -bc 118 159B 0 60,-2.8 62,-3.9 101,-0.2 2,-0.5 -0.925 62.1-149.9-128.5 154.1 57.4 12.1 42.2 58 59 A V E -bc 119 160B 0 101,-2.1 103,-2.3 -2,-0.3 2,-0.7 -0.948 4.8-166.7-128.1 117.2 58.8 14.5 39.7 59 60 A I E -bc 120 161B 0 60,-0.7 62,-3.6 -2,-0.5 2,-0.7 -0.865 13.0-163.2-100.0 123.8 56.6 16.7 37.7 60 61 A L E +bc 121 162B 0 101,-4.4 103,-1.5 -2,-0.7 62,-0.3 -0.834 24.4 149.7-119.3 107.6 58.5 18.2 34.9 61 62 A G E -b 122 0B 0 60,-4.4 62,-0.7 -2,-0.7 61,-0.1 0.144 35.9-136.7 -98.5-144.0 57.2 21.3 33.0 62 63 A Q + 0 0 15 1,-0.4 62,-5.6 60,-0.4 60,-0.2 0.626 64.6 19.7-157.3 -26.0 59.7 23.7 31.6 63 64 A D S S- 0 0 30 60,-0.2 -1,-0.4 62,-0.1 62,-0.2 -0.946 78.9-109.7-151.7 131.8 59.3 27.5 31.8 64 65 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 69,-0.2 0.205 43.9 -68.5 -59.9-177.3 57.1 29.3 34.3 65 66 A Y - 0 0 29 1,-0.1 6,-0.4 2,-0.1 62,-0.1 -0.548 38.4-148.6 -69.6 130.3 53.9 31.2 34.1 66 67 A H + 0 0 73 -2,-0.3 64,-1.3 -3,-0.1 -1,-0.1 0.042 62.0 105.0 -94.7 26.8 54.6 34.5 32.2 67 68 A G S >> S- 0 0 4 62,-0.2 4,-0.6 63,-0.1 3,-0.5 -0.659 80.4 -90.5-107.3 163.6 51.9 36.4 34.1 68 69 A P T 34 S- 0 0 111 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.556 109.4 -2.9 -72.2 125.5 51.9 38.9 36.9 69 70 A G T 34 S+ 0 0 52 -2,-0.3 10,-0.5 2,-0.1 13,-0.1 0.298 111.1 101.9 75.6 -10.9 51.7 37.3 40.3 70 71 A Q T <4 + 0 0 40 -3,-0.5 9,-0.4 8,-0.1 -4,-0.1 0.983 60.2 66.8 -62.3 -84.1 51.5 33.9 38.8 71 72 A A < + 0 0 10 -4,-0.6 -2,-0.1 -6,-0.4 7,-0.1 -0.138 40.3 154.9 -51.8 123.9 54.9 32.3 39.0 72 73 A H S S- 0 0 2 5,-0.5 -1,-0.1 2,-0.1 6,-0.1 0.049 70.3 -91.2-133.4 16.9 56.3 31.4 42.4 73 74 A G S S+ 0 0 17 1,-0.2 2,-0.8 4,-0.1 -27,-0.7 0.531 90.6 116.9 88.5 -2.9 58.7 28.7 41.5 74 75 A L S > S- 0 0 5 3,-0.3 3,-4.3 -29,-0.1 47,-0.2 -0.856 80.1-109.0-106.0 101.5 56.4 25.6 41.8 75 76 A A T 3 S- 0 0 1 45,-1.9 46,-0.1 -2,-0.8 -16,-0.0 0.065 102.0 -10.3 -31.1 89.5 56.0 24.0 38.5 76 77 A F T 3 S+ 0 0 13 1,-0.3 -1,-0.3 44,-0.1 12,-0.1 0.177 108.2 121.1 98.9 -9.8 52.4 25.0 37.8 77 78 A S < - 0 0 2 -3,-4.3 -5,-0.5 43,-0.1 -3,-0.3 -0.430 39.5-164.6 -86.0 159.6 51.4 26.4 41.3 78 79 A V - 0 0 0 30,-2.7 32,-0.2 -2,-0.1 33,-0.2 -0.872 28.3-100.9-131.9 164.4 50.2 29.9 42.2 79 80 A R > - 0 0 94 -10,-0.5 3,-1.1 -9,-0.4 29,-0.4 -0.291 47.6 -94.1 -78.9 174.1 49.9 31.6 45.6 80 81 A P T 3 S+ 0 0 70 0, 0.0 28,-0.2 0, 0.0 29,-0.1 0.906 117.5 55.7 -59.3 -48.9 46.5 31.8 47.3 81 82 A G T 3 S+ 0 0 82 26,-0.1 2,-0.3 2,-0.1 26,-0.0 0.362 95.5 96.5 -70.6 14.1 45.1 35.2 46.1 82 83 A I S < S- 0 0 54 -3,-1.1 2,-0.5 -12,-0.1 26,-0.4 -0.734 75.7-114.9-109.0 155.9 45.6 34.1 42.5 83 84 A A - 0 0 77 -2,-0.3 24,-0.1 24,-0.1 -2,-0.1 -0.767 34.7-108.3 -92.7 122.3 43.3 32.6 39.9 84 85 A I - 0 0 40 -2,-0.5 -1,-0.1 1,-0.1 -7,-0.1 -0.196 40.7-141.7 -47.9 121.5 44.0 29.1 38.6 85 86 A P >> - 0 0 11 0, 0.0 3,-1.9 0, 0.0 4,-1.6 -0.642 30.3 -85.4 -95.4 150.4 45.3 29.4 35.0 86 87 A P H 3> S+ 0 0 67 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.605 123.9 53.6 -11.0 -62.2 44.5 27.2 32.0 87 88 A S H 3> S+ 0 0 14 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.912 113.2 39.5 -51.7 -54.4 47.2 24.7 32.8 88 89 A L H <> S+ 0 0 0 -3,-1.9 4,-2.8 2,-0.2 5,-0.3 0.893 110.3 60.5 -66.7 -37.7 46.2 24.0 36.4 89 90 A L H X S+ 0 0 62 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.972 108.8 44.4 -47.7 -58.8 42.5 24.1 35.4 90 91 A N H X S+ 0 0 8 -4,-2.6 4,-2.4 2,-0.3 -1,-0.2 0.815 107.2 57.8 -55.1 -38.8 43.3 21.2 33.1 91 92 A M H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 3,-0.5 0.992 109.0 47.6 -52.8 -58.4 45.3 19.4 35.7 92 93 A Y H < S+ 0 0 0 -4,-2.8 -2,-0.3 1,-0.3 -1,-0.2 0.844 102.8 61.4 -48.2 -44.6 42.3 19.5 37.8 93 94 A K H >X S+ 0 0 90 -4,-2.1 4,-3.0 -5,-0.3 3,-2.2 0.975 108.7 43.3 -51.2 -51.5 40.2 18.3 34.9 94 95 A E H 3X S+ 0 0 9 -4,-2.4 4,-1.6 -3,-0.5 5,-0.5 0.902 107.6 59.3 -60.2 -35.9 42.3 15.2 34.9 95 96 A L H 3< S+ 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.409 113.0 43.4 -71.9 6.9 42.0 15.3 38.7 96 97 A E H <4 S+ 0 0 79 -3,-2.2 6,-0.3 -5,-0.3 -2,-0.2 0.702 110.4 46.3-115.6 -57.9 38.3 15.0 37.9 97 98 A N H < S+ 0 0 116 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.694 127.9 28.6 -62.5 -12.2 37.9 12.5 35.2 98 99 A T S < S+ 0 0 48 -4,-1.6 -3,-0.2 -5,-0.3 -1,-0.2 0.806 98.0 70.8-119.5 -41.4 40.3 10.1 37.1 99 100 A I S > S- 0 0 40 -5,-0.5 3,-1.0 1,-0.1 2,-0.5 -0.451 87.1 -93.2 -80.8 158.6 40.5 10.3 40.9 100 101 A P T 3 S- 0 0 121 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.597 98.3 -18.7 -75.1 118.5 37.7 9.1 43.2 101 102 A G T 3 S+ 0 0 76 -2,-0.5 2,-0.4 1,-0.2 -5,-0.1 0.841 90.7 166.0 57.5 36.8 35.4 11.9 44.2 102 103 A F < - 0 0 22 -3,-1.0 2,-0.4 -6,-0.3 -1,-0.2 -0.719 15.8-177.9 -89.3 136.8 37.8 14.5 43.3 103 104 A T - 0 0 86 -2,-0.4 -7,-0.1 -3,-0.1 -10,-0.1 -0.993 34.4-110.2-130.5 117.9 36.5 18.0 43.0 104 105 A R - 0 0 101 -2,-0.4 2,-0.1 -12,-0.1 116,-0.1 0.074 36.6-117.4 -40.3 162.6 39.0 20.7 42.0 105 106 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 117,-0.1 -0.396 17.6-114.5 -95.2-179.8 39.8 23.1 44.8 106 107 A N S S+ 0 0 146 -2,-0.1 2,-0.3 -23,-0.0 -2,-0.0 -0.067 94.2 53.8-109.8 36.1 39.0 26.8 44.6 107 108 A H - 0 0 10 -24,-0.1 -24,-0.1 2,-0.1 -26,-0.1 -0.935 68.6-138.6-154.4 167.4 42.7 27.7 44.6 108 109 A G + 0 0 0 -26,-0.4 -30,-2.7 -29,-0.4 2,-0.7 0.069 59.6 123.1-122.9 21.3 45.9 27.0 42.6 109 110 A Y - 0 0 39 -32,-0.2 3,-0.3 1,-0.1 113,-0.2 -0.788 35.0-177.4 -88.4 114.6 48.4 26.7 45.4 110 111 A L > + 0 0 0 -2,-0.7 4,-1.5 -32,-0.2 5,-0.1 -0.212 39.0 125.5-104.1 39.9 50.0 23.3 45.2 111 112 A E H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.966 72.7 55.3 -62.2 -49.2 52.2 23.6 48.3 112 113 A S H > S+ 0 0 23 110,-0.4 4,-0.8 -3,-0.3 -1,-0.2 0.866 102.7 58.2 -48.1 -43.0 50.8 20.4 49.7 113 114 A W H >4>S+ 0 0 0 1,-0.2 3,-1.7 2,-0.2 5,-0.9 0.969 109.1 43.7 -48.2 -63.3 51.8 18.6 46.5 114 115 A A H 3X5S+ 0 0 0 -4,-1.5 4,-0.5 1,-0.3 3,-0.3 0.852 103.5 62.5 -48.5 -52.0 55.4 19.6 47.0 115 116 A R H 3<5S+ 0 0 125 -4,-2.4 2,-0.6 1,-0.3 -1,-0.3 0.707 98.1 64.4 -55.2 -16.9 55.5 18.8 50.7 116 117 A Q T <<5S- 0 0 56 -3,-1.7 -1,-0.3 -4,-0.8 -59,-0.2 -0.601 128.3 -85.6-109.2 69.4 54.8 15.2 49.6 117 118 A G T 45S+ 0 0 3 -2,-0.6 -60,-2.8 -3,-0.3 -61,-1.7 0.580 83.1 143.8 42.5 18.1 57.9 14.4 47.5 118 119 A V E << -b 57 0B 0 -5,-0.9 2,-1.7 -4,-0.5 -60,-0.2 -0.743 42.4-152.2 -89.5 118.0 56.4 15.9 44.4 119 120 A L E -b 58 0B 0 -62,-3.9 2,-1.7 -2,-0.8 -60,-0.7 -0.512 9.6-167.6 -91.0 72.4 59.1 17.6 42.5 120 121 A L E +b 59 0B 1 -2,-1.7 -45,-1.9 -62,-0.2 2,-0.3 -0.357 31.1 163.7 -55.3 84.0 57.0 20.3 40.8 121 122 A L E -b 60 0B 2 -62,-3.6 -60,-4.4 -2,-1.7 2,-0.3 -0.735 34.6-162.3-120.7 167.0 59.7 21.3 38.3 122 123 A N E -b 61 0B 16 -62,-0.3 -60,-0.4 -2,-0.3 3,-0.1 -0.917 22.3-136.4-133.9 153.1 60.4 23.1 35.1 123 124 A T S S+ 0 0 0 -62,-0.7 2,-0.7 -2,-0.3 21,-0.5 0.894 98.7 48.3 -78.2 -45.8 63.4 22.9 32.8 124 125 A V S S- 0 0 0 -62,-5.6 -1,-0.2 1,-0.1 -62,-0.1 -0.870 73.7-163.2 -99.6 106.1 63.7 26.7 32.2 125 126 A L + 0 0 14 -2,-0.7 2,-0.3 -62,-0.2 -1,-0.1 0.584 66.2 31.0 -70.5 -11.5 63.5 28.3 35.6 126 127 A T - 0 0 0 9,-0.2 2,-0.3 -62,-0.1 9,-0.1 -0.897 63.6-167.2-141.0 169.5 62.8 31.9 34.5 127 128 A V B -A 37 0A 0 -90,-1.6 -90,-3.0 -2,-0.3 7,-0.1 -0.969 27.0-116.5-164.8 148.9 60.9 33.8 31.7 128 129 A R - 0 0 78 5,-0.4 -91,-0.3 3,-0.3 -1,-0.2 0.922 62.5 -81.9 -44.6 -94.8 60.3 37.1 30.0 129 130 A A S S- 0 0 36 2,-0.2 -62,-0.2 -93,-0.1 -1,-0.1 -0.461 95.9 -13.6 173.0 109.0 56.7 38.1 30.4 130 131 A G S S+ 0 0 43 -64,-1.3 2,-0.6 1,-0.1 -63,-0.1 0.591 110.8 109.7 64.5 7.1 53.6 37.0 28.4 131 132 A Q - 0 0 122 2,-0.1 -3,-0.3 -65,-0.1 -2,-0.2 -0.858 69.5-136.1-121.0 93.3 56.4 35.8 26.1 132 133 A A S S- 0 0 56 -2,-0.6 2,-1.2 1,-0.1 -4,-0.1 0.055 77.1 -13.4 -43.9 152.8 56.6 32.0 26.1 133 134 A H S S+ 0 0 97 1,-0.2 -5,-0.4 -69,-0.2 -2,-0.1 -0.291 81.1 146.9 50.6 -90.8 59.9 30.4 26.2 134 135 A S S S+ 0 0 39 -2,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.535 72.6 49.7 43.3 7.7 61.6 33.7 25.5 135 136 A H S S+ 0 0 6 -8,-0.1 3,-0.3 -9,-0.1 -9,-0.2 -0.023 71.1 112.1-161.7 36.0 64.4 32.4 27.7 136 137 A A + 0 0 30 1,-0.2 -2,-0.1 4,-0.1 -9,-0.0 -0.017 62.7 70.8-109.2 31.7 65.3 28.9 26.5 137 138 A S S S+ 0 0 117 -4,-0.1 -1,-0.2 3,-0.0 2,-0.1 0.283 83.3 83.2-123.9 5.8 68.8 29.4 25.1 138 139 A L S > S- 0 0 33 -3,-0.3 3,-0.7 -116,-0.1 4,-0.4 -0.253 104.8 -73.4 -98.1-171.7 70.6 30.0 28.4 139 140 A G T 3> S+ 0 0 9 -121,-0.3 4,-1.6 1,-0.2 5,-0.1 0.218 101.4 104.1 -71.4 20.8 72.0 27.5 30.9 140 141 A W H 3> S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.969 79.5 42.0 -68.6 -52.2 68.5 26.7 32.0 141 142 A E H <> S+ 0 0 25 -3,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.787 113.6 58.2 -64.1 -25.0 68.1 23.3 30.3 142 143 A T H > S+ 0 0 70 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.881 105.3 47.4 -73.3 -37.0 71.6 22.5 31.4 143 144 A F H >X S+ 0 0 4 -4,-1.6 4,-2.1 -3,-0.3 3,-1.0 0.983 113.2 45.0 -65.5 -60.7 70.9 23.0 35.1 144 145 A T H 3X S+ 0 0 0 -4,-1.8 4,-2.6 -21,-0.5 5,-0.2 0.808 104.2 67.1 -53.6 -33.8 67.8 21.0 35.3 145 146 A D H 3X S+ 0 0 58 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.3 0.898 106.8 39.9 -52.8 -46.6 69.5 18.3 33.2 146 147 A K H X S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 3,-0.8 0.991 112.5 53.6 -61.6 -60.9 67.4 15.0 37.1 149 150 A S H 3X S+ 0 0 30 -4,-2.1 4,-3.7 1,-0.3 5,-0.3 0.887 108.3 50.2 -36.0 -60.2 70.6 13.2 36.8 150 151 A L H 3X S+ 0 0 20 -4,-3.6 4,-1.5 1,-0.2 -1,-0.3 0.883 112.4 47.8 -47.4 -45.0 71.3 13.8 40.4 151 152 A I H << S+ 0 0 0 -4,-1.8 -1,-0.2 -3,-0.8 -2,-0.2 0.939 114.2 46.3 -60.5 -50.5 67.9 12.5 41.2 152 153 A N H < S+ 0 0 18 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.966 108.8 53.5 -53.8 -61.2 68.4 9.5 39.1 153 154 A Q H < S+ 0 0 143 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.758 122.1 33.3 -43.2 -36.9 71.9 8.8 40.5 154 155 A H S < S+ 0 0 53 -4,-1.5 -3,-0.0 -5,-0.3 -101,-0.0 -0.164 101.7 39.6-104.5-161.6 70.2 8.8 43.8 155 156 A R S S- 0 0 81 -2,-0.1 3,-0.2 1,-0.1 2,-0.2 0.724 75.8-122.3 14.0 123.5 66.7 7.8 45.2 156 157 A E S S+ 0 0 94 1,-0.2 23,-0.1 -3,-0.1 -1,-0.1 -0.517 74.7 14.5 -89.3 155.5 65.3 4.7 43.7 157 158 A G S S+ 0 0 14 21,-1.9 2,-0.4 -2,-0.2 22,-0.2 0.947 72.2 169.2 47.6 75.7 62.0 4.1 41.8 158 159 A V - 0 0 1 -3,-0.2 22,-2.0 20,-0.2 2,-0.4 -0.908 29.6-136.2-114.9 136.7 60.8 7.6 40.9 159 160 A V E -cd 57 180B 0 -103,-1.0 -101,-2.1 -2,-0.4 2,-0.8 -0.779 15.5-151.1 -92.2 134.7 58.0 8.4 38.5 160 161 A F E -cd 58 181B 0 20,-1.1 22,-1.3 -2,-0.4 2,-1.3 -0.835 4.4-158.6-113.8 98.7 58.7 11.2 36.2 161 162 A L E -cd 59 182B 0 -103,-2.3 -101,-4.4 -2,-0.8 2,-0.7 -0.633 20.7-174.8 -73.0 100.4 55.7 13.1 35.1 162 163 A L E -cd 60 183B 0 20,-1.6 22,-1.4 -2,-1.3 2,-0.6 -0.864 2.5-173.1-108.7 98.8 57.3 14.5 31.9 163 164 A W E + d 0 184B 1 -103,-1.5 4,-0.4 -2,-0.7 20,-0.1 -0.820 47.9 10.6 -99.1 115.2 54.9 17.0 30.2 164 165 A G S > S- 0 0 11 20,-1.2 4,-2.4 -2,-0.6 5,-0.1 0.048 84.3 -86.9 102.0 149.0 55.8 18.4 26.8 165 166 A S H > S+ 0 0 101 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.955 128.0 50.1 -50.1 -55.8 58.4 17.6 24.2 166 167 A H H >> S+ 0 0 75 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.932 113.8 43.0 -49.8 -53.5 60.9 19.9 25.8 167 168 A A H 34 S+ 0 0 1 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.785 107.8 65.0 -61.3 -32.0 60.4 18.3 29.3 168 169 A Q H 3< S+ 0 0 43 -4,-2.4 3,-0.3 -3,-0.2 -1,-0.2 0.688 104.9 40.0 -66.4 -28.7 60.4 14.9 27.6 169 170 A K H X< S+ 0 0 165 -4,-1.3 3,-5.2 -3,-1.0 2,-5.2 0.946 107.4 60.5 -79.6 -68.0 64.0 15.1 26.5 170 171 A K T 3< S+ 0 0 16 -4,-1.2 -1,-0.2 1,-0.3 -22,-0.1 -0.132 115.7 35.8 -55.4 49.3 65.5 16.7 29.5 171 172 A G T > S+ 0 0 0 -2,-5.2 3,-0.9 -3,-0.3 2,-0.9 0.166 88.8 95.0-178.8 -9.8 64.3 13.8 31.6 172 173 A A T < + 0 0 44 -3,-5.2 -2,-0.1 1,-0.2 -4,-0.1 -0.454 65.8 80.9 -94.6 54.1 64.8 11.0 29.1 173 174 A I T 3 + 0 0 86 -2,-0.9 2,-0.3 -28,-0.0 -1,-0.2 0.227 66.5 119.3-134.5 -2.9 68.3 10.2 30.6 174 175 A I S < S- 0 0 2 -3,-0.9 2,-0.9 1,-0.1 5,-0.1 -0.529 70.3-121.7 -74.0 125.2 66.7 8.2 33.4 175 176 A D >> - 0 0 65 -2,-0.3 4,-1.5 1,-0.2 3,-1.2 -0.583 23.7-164.9 -74.6 109.1 67.6 4.6 33.8 176 177 A K T 34 S+ 0 0 107 -2,-0.9 -1,-0.2 2,-0.3 5,-0.1 0.716 82.0 72.1 -66.4 -25.6 64.2 2.9 33.6 177 178 A Q T 34 S+ 0 0 190 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.785 118.6 25.9 -61.5 -18.7 65.3 -0.4 35.0 178 179 A R T <4 S+ 0 0 81 -3,-1.2 -21,-1.9 1,-0.1 2,-0.3 0.639 123.9 44.9-114.7 -24.5 65.5 1.8 38.2 179 180 A H S < S- 0 0 2 -4,-1.5 2,-0.3 -22,-0.2 -20,-0.2 -0.912 71.5-121.2-127.5 156.5 63.0 4.7 37.7 180 181 A H E -d 159 0B 52 -22,-2.0 -20,-1.1 -2,-0.3 2,-0.3 -0.712 29.4-170.3 -90.8 143.5 59.4 5.1 36.4 181 182 A V E -d 160 0B 27 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.1 -0.906 7.4-178.2-145.1 117.1 58.7 7.4 33.4 182 183 A L E -d 161 0B 19 -22,-1.3 -20,-1.6 -2,-0.3 2,-0.4 -0.772 13.2-147.1-112.2 153.2 55.5 8.8 31.9 183 184 A K E +d 162 0B 107 -2,-0.3 -20,-0.2 -22,-0.1 -22,-0.1 -0.954 21.8 161.9-128.6 118.7 54.8 11.0 28.9 184 185 A A E -d 163 0B 0 -22,-1.4 -20,-1.2 -2,-0.4 11,-0.1 -0.990 40.5-115.7-134.2 125.1 52.0 13.5 28.5 185 186 A P - 0 0 37 0, 0.0 14,-0.1 0, 0.0 9,-0.1 -0.282 63.5 -69.5 -54.7 143.1 51.7 16.4 26.0 186 187 A H - 0 0 46 1,-0.2 8,-0.2 10,-0.1 5,-0.2 -0.034 38.4-133.9 -40.4 130.4 51.7 19.7 27.9 187 188 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 -97,-0.1 0.691 69.4 121.1 -57.9 -26.9 48.5 20.2 29.9 188 189 A S S >> S- 0 0 19 1,-0.2 3,-4.0 3,-0.1 4,-3.7 -0.062 80.8-115.6 -43.8 137.5 48.4 23.8 28.6 189 190 A P T 34 S+ 0 0 50 0, 0.0 4,-0.2 0, 0.0 -1,-0.2 0.618 117.0 65.9 -53.7 -10.0 45.3 24.6 26.7 190 191 A L T 34 S+ 0 0 157 2,-0.1 -2,-0.1 1,-0.1 -4,-0.1 0.650 126.7 3.8 -85.2 -16.0 47.6 25.0 23.7 191 192 A S T X4 S+ 0 0 14 -3,-4.0 3,-1.6 -5,-0.2 5,-0.4 0.584 97.9 99.0-138.4 -27.7 48.4 21.2 23.8 192 193 A A G ><>S+ 0 0 0 -4,-3.7 5,-2.0 1,-0.3 3,-1.5 0.782 78.4 67.7 -29.9 -50.5 46.3 19.4 26.5 193 194 A H G 3 5S+ 0 0 132 1,-0.3 -1,-0.3 -5,-0.2 -7,-0.0 0.167 87.8 71.4 -64.2 17.0 43.9 18.3 23.8 194 195 A R G < 5S- 0 0 188 -3,-1.6 -1,-0.3 -8,-0.2 -2,-0.2 0.255 130.2 -56.8-119.3 9.0 46.6 16.1 22.3 195 196 A G T <>5S+ 0 0 31 -3,-1.5 4,-2.0 2,-0.1 -2,-0.1 -0.052 113.3 98.1 141.1 -35.9 46.8 13.4 24.9 196 197 A F T >45S+ 0 0 0 -5,-0.4 3,-1.5 -4,-0.2 2,-1.0 0.957 84.2 63.1 -40.9 -58.1 47.6 15.1 28.1 197 198 A F T 34> + 0 0 46 -3,-0.1 4,-2.3 1,-0.1 3,-1.1 0.195 43.4 142.3-137.4 19.1 46.8 8.9 33.8 201 202 A H H 3> S+ 0 0 8 1,-0.3 4,-0.8 3,-0.2 5,-0.2 0.724 70.1 56.6 -27.6 -47.7 49.9 10.3 35.4 202 203 A F H 3> S+ 0 0 1 2,-0.2 4,-1.3 3,-0.2 -1,-0.3 0.925 120.1 24.3 -56.6 -57.1 48.1 10.8 38.6 203 204 A V H <> S+ 0 0 39 -3,-1.1 4,-1.5 2,-0.2 3,-0.2 0.947 118.7 60.0 -73.1 -53.0 46.8 7.3 39.3 204 205 A L H X S+ 0 0 61 -4,-2.3 4,-0.8 1,-0.3 -1,-0.2 0.630 112.0 42.9 -48.2 -19.7 49.5 5.7 37.2 205 206 A A H X S+ 0 0 0 -4,-0.8 4,-2.2 -5,-0.5 -1,-0.3 0.752 106.6 57.5 -98.7 -35.5 51.9 7.3 39.6 206 207 A N H X S+ 0 0 25 -4,-1.3 4,-0.8 -3,-0.2 -2,-0.2 0.617 107.6 53.4 -71.1 -9.4 49.9 6.6 42.8 207 208 A Q H X S+ 0 0 84 -4,-1.5 4,-3.1 2,-0.2 5,-0.2 0.884 103.9 50.9 -86.2 -54.0 50.3 2.9 41.6 208 209 A W H < S+ 0 0 46 -4,-0.8 4,-0.4 1,-0.3 6,-0.3 0.914 113.2 48.2 -52.5 -42.5 54.0 3.0 41.3 209 210 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.1 1,-0.2 3,-1.0 0.912 111.0 52.6 -64.7 -39.6 54.0 4.4 44.8 210 211 A E H ><5S+ 0 0 86 -4,-0.8 3,-1.3 1,-0.2 -2,-0.2 0.946 107.6 48.7 -59.2 -53.7 51.6 1.7 45.9 211 212 A Q T 3<5S+ 0 0 139 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.351 111.1 48.1 -73.3 3.1 53.6 -1.2 44.6 212 213 A H T < 5S- 0 0 93 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.255 125.4 -95.7-121.9 7.8 57.0 -0.2 46.1 213 214 A G T < 5S+ 0 0 66 -3,-1.3 2,-0.3 -4,-0.3 -3,-0.2 0.152 79.6 146.3 95.6 -9.7 55.5 0.4 49.5 214 215 A E < - 0 0 67 -5,-1.1 -1,-0.2 -6,-0.3 -2,-0.2 -0.443 52.7-121.2 -68.0 120.0 55.1 4.2 48.7 215 216 A T - 0 0 86 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 -0.270 38.2-114.1 -54.3 125.7 52.2 6.1 50.1 216 217 A P - 0 0 59 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.003 32.2 -94.2 -60.5 175.4 50.2 7.6 47.2 217 218 A I - 0 0 6 -15,-0.2 2,-1.5 -14,-0.1 -11,-0.1 -0.830 22.0-132.4 -98.1 121.0 49.9 11.4 46.5 218 219 A D - 0 0 96 -2,-0.5 -102,-0.1 1,-0.2 -1,-0.0 -0.516 22.0-173.2 -73.1 96.0 47.0 13.4 47.8 219 220 A W + 0 0 4 -2,-1.5 -1,-0.2 2,-0.1 -106,-0.1 0.347 57.5 100.0 -71.8 7.4 46.2 15.3 44.6 220 221 A M - 0 0 61 -116,-0.1 -2,-0.1 -108,-0.1 -116,-0.1 -0.870 69.8-145.0-100.5 108.0 43.7 17.3 46.6 221 222 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 -111,-0.1 -0.293 13.5-159.6 -71.4 153.9 45.3 20.7 47.4 222 223 A V - 0 0 78 -113,-0.2 -110,-0.4 -117,-0.1 -111,-0.2 -0.997 21.0-149.1-143.4 143.4 44.8 22.6 50.6 223 224 A L + 0 0 71 -2,-0.3 -113,-0.0 -112,-0.1 0, 0.0 -0.715 40.9 163.9-109.1 77.9 45.1 26.2 51.9 224 225 A P + 0 0 103 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.580 19.6 96.0 -68.3-146.4 46.0 25.7 55.6 225 226 A A + 0 0 92 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.926 39.2 160.8 52.3 110.8 47.4 27.9 58.5 226 227 A E + 0 0 197 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.953 3.9 137.0-157.6 136.5 45.1 29.7 60.9 227 228 A S 0 0 97 -2,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.957 360.0 360.0-164.5 172.0 45.2 31.3 64.3 228 229 A E 0 0 239 -2,-0.3 -1,-0.1 0, 0.0 0, 0.0 0.106 360.0 360.0 -80.0 360.0 44.1 34.3 66.2