==== 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 04-OCT-05 2D3Y . COMPND 2 MOLECULE: URACIL-DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.KOSAKA,N.NAKAGAWA,R.MASUI,S.KURAMITSU,RIKEN STRUCTURAL . 219 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 143 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 9 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 30.1 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 1 0 1 0 1 1 0 1 1 0 1 0 1 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 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 132 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.1 9.5 26.6 -1.8 2 2 A D > - 0 0 100 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.286 360.0 -90.8 -90.1 179.8 10.0 28.6 1.4 3 3 A R H > S+ 0 0 83 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.907 123.8 53.8 -58.8 -45.0 8.9 27.7 4.9 4 4 A E H > S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 112.7 44.1 -55.9 -46.0 5.5 29.4 4.7 5 5 A A H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.899 111.3 54.5 -66.5 -42.2 4.6 27.5 1.5 6 6 A F H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.946 110.2 45.9 -56.6 -51.0 6.0 24.2 3.0 7 7 A V H X S+ 0 0 37 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.910 113.1 50.2 -60.8 -42.6 3.7 24.6 6.0 8 8 A Q H < S+ 0 0 151 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.911 117.8 37.1 -64.3 -44.3 0.7 25.5 4.0 9 9 A T H >X S+ 0 0 62 -4,-2.6 3,-0.8 2,-0.2 4,-0.5 0.871 114.9 54.3 -78.4 -35.9 1.0 22.6 1.5 10 10 A L H >< S+ 0 0 1 -4,-3.0 3,-1.7 -5,-0.3 -2,-0.2 0.943 105.6 53.4 -61.3 -46.3 2.2 20.0 4.1 11 11 A T T 3< S+ 0 0 30 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.638 106.6 53.8 -66.4 -11.5 -0.8 20.7 6.3 12 12 A A T <4 S+ 0 0 67 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.512 81.4 126.3 -96.8 -7.9 -3.1 20.0 3.4 13 13 A C << + 0 0 20 -3,-1.7 -3,-0.0 -4,-0.5 3,-0.0 -0.225 25.3 166.4 -57.9 136.1 -1.6 16.6 2.6 14 14 A R + 0 0 164 27,-0.1 -1,-0.1 1,-0.0 6,-0.1 -0.119 32.7 124.0-140.7 34.9 -4.0 13.7 2.5 15 15 A L + 0 0 84 1,-0.1 -1,-0.0 4,-0.0 -2,-0.0 0.843 61.1 63.7 -69.1 -37.3 -1.8 11.0 0.8 16 16 A C > - 0 0 21 1,-0.2 4,-2.6 110,-0.1 5,-0.3 -0.786 64.9-163.3 -97.4 104.3 -2.1 8.2 3.5 17 17 A P H > S+ 0 0 111 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.870 89.1 49.3 -51.8 -44.6 -5.7 7.0 3.8 18 18 A R H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.903 116.2 43.1 -64.4 -38.8 -5.2 5.3 7.2 19 19 A L H > S+ 0 0 3 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.816 108.4 55.4 -78.6 -32.4 -3.5 8.3 8.7 20 20 A V H X S+ 0 0 13 -4,-2.6 4,-0.7 2,-0.2 -1,-0.2 0.917 115.8 42.0 -64.5 -39.9 -5.9 10.9 7.2 21 21 A A H >X S+ 0 0 54 -4,-1.7 4,-2.7 -5,-0.3 3,-0.5 0.946 116.9 46.0 -70.5 -49.0 -8.7 8.9 8.9 22 22 A W H 3X S+ 0 0 67 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.886 103.1 60.6 -64.5 -41.8 -6.9 8.3 12.2 23 23 A R H 3< S+ 0 0 11 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.820 118.2 33.1 -58.5 -27.5 -5.6 11.8 12.8 24 24 A E H X< S+ 0 0 108 -4,-0.7 3,-1.2 -3,-0.5 -2,-0.2 0.818 112.3 61.0 -94.2 -37.4 -9.2 12.9 12.9 25 25 A E H 3< S+ 0 0 107 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.828 99.3 56.9 -59.8 -35.5 -10.8 9.8 14.4 26 26 A V T >X S+ 0 0 2 -4,-2.2 3,-2.4 -5,-0.1 4,-0.6 0.667 76.5 114.5 -72.6 -17.0 -8.7 10.1 17.6 27 27 A V T <4 S+ 0 0 59 -3,-1.2 7,-0.1 1,-0.3 36,-0.1 -0.390 93.2 4.5 -59.0 116.9 -10.0 13.5 18.3 28 28 A G T 34 S+ 0 0 14 -2,-0.3 -1,-0.3 2,-0.2 6,-0.2 0.284 97.9 113.0 91.4 -11.3 -12.1 13.2 21.5 29 29 A R T <4 + 0 0 144 -3,-2.4 2,-0.9 1,-0.2 -2,-0.1 0.833 69.6 62.7 -62.0 -34.6 -11.2 9.5 21.9 30 30 A K S >X S- 0 0 93 -4,-0.6 3,-1.9 1,-0.2 4,-0.6 -0.841 75.2-158.3 -95.9 105.9 -9.2 10.4 25.1 31 31 A R G >4 S+ 0 0 185 -2,-0.9 3,-1.1 1,-0.3 -1,-0.2 0.825 86.5 70.2 -51.8 -36.7 -11.7 11.8 27.6 32 32 A A G 34 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.797 115.0 25.6 -52.9 -31.2 -9.0 13.6 29.5 33 33 A F G X4 S+ 0 0 57 -3,-1.9 3,-2.2 3,-0.1 -1,-0.3 0.286 87.9 133.2-117.0 8.0 -8.6 16.0 26.5 34 34 A R T << S+ 0 0 115 -3,-1.1 -7,-0.0 -4,-0.6 -3,-0.0 -0.417 73.9 29.2 -62.2 129.2 -12.1 15.8 25.0 35 35 A G T 3 S+ 0 0 80 1,-0.5 -1,-0.3 -2,-0.1 -4,-0.1 0.089 95.4 117.1 106.1 -21.2 -13.3 19.3 24.3 36 36 A E S < S- 0 0 101 -3,-2.2 -1,-0.5 1,-0.1 2,-0.2 -0.458 77.3 -97.5 -77.3 150.0 -9.8 20.5 23.7 37 37 A P - 0 0 106 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.492 39.4-154.0 -71.4 137.1 -8.8 21.8 20.3 38 38 A Y - 0 0 27 -2,-0.2 29,-0.2 1,-0.2 30,-0.2 -0.939 18.7-151.9-115.9 135.3 -7.0 19.3 18.1 39 39 A W + 0 0 67 28,-1.1 28,-0.2 27,-0.5 -1,-0.2 0.949 27.6 176.5 -64.0 -49.4 -4.6 20.1 15.3 40 40 A A + 0 0 13 26,-2.9 27,-0.1 1,-0.2 26,-0.1 0.843 45.4 89.1 44.2 47.9 -5.7 16.8 13.6 41 41 A R S S- 0 0 103 25,-0.2 75,-0.2 73,-0.1 -1,-0.2 -0.921 92.4 -54.5-156.2 172.6 -3.5 17.4 10.6 42 42 A P - 0 0 2 0, 0.0 73,-0.2 0, 0.0 72,-0.0 -0.318 59.9-122.6 -57.3 140.4 0.1 16.8 9.4 43 43 A V - 0 0 7 71,-2.9 68,-0.2 -33,-0.1 2,-0.1 -0.773 18.4-145.4 -94.7 117.0 2.6 18.2 11.9 44 44 A P - 0 0 14 0, 0.0 -37,-0.0 0, 0.0 -38,-0.0 -0.455 31.1 -98.2 -75.5 151.5 5.1 20.9 10.7 45 45 A G - 0 0 4 -2,-0.1 2,-0.4 25,-0.1 65,-0.2 -0.182 37.4-144.3 -64.1 163.7 8.6 20.8 12.3 46 46 A F E +A 109 0A 40 63,-2.4 63,-3.3 2,-0.0 2,-0.3 -0.993 44.2 44.5-136.6 137.9 9.4 23.2 15.1 47 47 A G E S+A 108 0A 23 -2,-0.4 61,-0.3 61,-0.2 58,-0.0 -0.955 86.1 1.8 141.4-158.1 12.5 25.2 16.0 48 48 A D > - 0 0 43 59,-2.9 3,-1.8 -2,-0.3 57,-0.1 -0.598 46.9-152.6 -74.4 118.7 15.4 27.3 14.8 49 49 A P T 3 S+ 0 0 70 0, 0.0 -1,-0.2 0, 0.0 59,-0.1 0.589 101.6 47.3 -68.7 -7.7 15.1 27.9 11.0 50 50 A E T 3 S+ 0 0 102 57,-0.1 91,-0.1 91,-0.1 -2,-0.1 -0.076 89.3 160.3-118.9 28.0 18.9 28.2 11.1 51 51 A A < - 0 0 0 -3,-1.8 56,-0.2 1,-0.1 92,-0.2 -0.122 35.3-167.7 -56.1 146.5 19.4 25.1 13.2 52 52 A R S S+ 0 0 82 54,-2.1 93,-2.8 92,-0.2 94,-2.0 0.506 80.0 53.0-106.5 -14.8 22.7 23.2 13.3 53 53 A I E -bc 107 146A 0 53,-2.1 55,-2.1 91,-0.2 2,-0.5 -0.985 65.6-167.5-126.8 133.7 21.1 20.2 15.0 54 54 A L E -bc 108 147A 0 92,-2.7 94,-3.4 -2,-0.4 2,-0.6 -0.982 7.8-156.6-124.1 123.2 18.0 18.3 13.9 55 55 A L E -bc 109 148A 0 53,-2.5 55,-2.1 -2,-0.5 2,-0.6 -0.891 13.9-160.4 -98.6 124.1 16.2 15.8 16.1 56 56 A F E -bc 110 149A 0 92,-3.2 94,-2.8 -2,-0.6 55,-0.3 -0.897 11.1-177.7-113.3 106.8 14.3 13.3 14.0 57 57 A G E -b 111 0A 2 53,-3.1 55,-2.0 -2,-0.6 56,-0.1 -0.108 30.9-114.0 -88.5-170.0 11.5 11.4 15.6 58 58 A L S S- 0 0 45 1,-0.3 55,-2.1 53,-0.2 53,-0.1 0.931 72.6 -38.5 -91.7 -62.3 9.2 8.7 14.2 59 59 A A - 0 0 24 53,-0.2 -1,-0.3 52,-0.1 55,-0.2 -0.984 66.4 -77.1-164.5 158.2 5.6 10.0 14.1 60 60 A P - 0 0 8 0, 0.0 2,-0.3 0, 0.0 60,-0.1 -0.213 43.5-119.1 -61.0 148.9 3.1 12.2 16.0 61 61 A G > > - 0 0 6 55,-0.1 5,-1.8 1,-0.1 3,-1.5 -0.704 22.2-122.3 -86.9 141.9 1.3 10.9 19.1 62 62 A A T 3 5S+ 0 0 19 -2,-0.3 -22,-0.1 1,-0.3 -1,-0.1 0.832 113.3 24.9 -52.4 -36.8 -2.5 10.8 18.7 63 63 A H T 3 5S+ 0 0 32 3,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.134 122.6 60.5-116.6 18.3 -2.9 13.0 21.8 64 64 A G T X>5S- 0 0 0 -3,-1.5 4,-2.7 3,-0.1 3,-1.6 0.450 123.5 -8.0-106.9-111.4 0.5 14.7 21.6 65 65 A S H 3>5S+ 0 0 4 1,-0.3 4,-2.3 2,-0.2 -26,-0.1 0.779 130.6 64.5 -63.2 -25.3 1.5 16.7 18.5 66 66 A N H 34 S- 0 0 27 3,-0.3 3,-2.1 -6,-0.2 -1,-0.2 -0.993 85.3 -91.6-128.8 131.5 3.9 21.0 17.8 71 71 A P T 3 S- 0 0 8 0, 0.0 3,-0.1 0, 0.0 38,-0.0 -0.016 103.7 -7.9 -41.4 133.5 6.4 18.1 17.7 72 72 A F T > S+ 0 0 26 1,-0.2 6,-1.1 2,-0.1 3,-0.9 0.360 99.6 138.6 59.9 -2.8 6.5 15.9 20.8 73 73 A T T < + 0 0 2 -3,-2.1 -5,-0.6 1,-0.2 -3,-0.3 -0.583 58.8 19.4 -82.8 123.8 4.2 18.4 22.6 74 74 A G T 3 S+ 0 0 35 -2,-0.4 2,-0.2 1,-0.4 -1,-0.2 0.354 109.3 69.0 108.5 -7.4 1.5 17.2 24.9 75 75 A D S <> S- 0 0 46 -3,-0.9 4,-1.8 -13,-0.0 -1,-0.4 -0.740 97.1 -78.9-133.3-176.2 2.5 13.6 25.6 76 76 A A H > S+ 0 0 42 -2,-0.2 4,-1.1 1,-0.2 5,-0.2 0.788 120.4 60.2 -54.3 -34.4 5.2 11.5 27.4 77 77 A S H >> S+ 0 0 19 1,-0.2 4,-3.2 2,-0.2 3,-0.6 0.950 108.8 41.9 -62.7 -48.4 7.8 12.1 24.7 78 78 A G H 3> S+ 0 0 7 -6,-1.1 4,-1.9 -3,-0.4 -1,-0.2 0.836 107.7 60.9 -67.3 -32.4 7.8 15.8 25.1 79 79 A A H 3< S+ 0 0 74 -4,-1.8 -1,-0.2 -7,-0.2 -2,-0.2 0.792 116.1 34.7 -64.2 -26.8 7.7 15.6 28.9 80 80 A F H S+ 0 0 51 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.875 112.0 49.0 -65.8 -31.5 13.3 19.4 29.9 84 84 A L H X S+ 0 0 17 -4,-0.9 4,-2.1 -3,-0.4 -2,-0.2 0.849 105.4 56.7 -73.9 -34.0 16.5 17.7 28.7 85 85 A L H <>S+ 0 0 0 -4,-2.1 5,-2.7 1,-0.2 6,-0.4 0.922 110.3 46.5 -61.0 -41.6 16.9 20.1 25.8 86 86 A H H ><5S+ 0 0 68 -4,-1.9 3,-1.7 4,-0.2 5,-0.3 0.924 110.0 51.2 -66.5 -44.1 16.8 22.9 28.3 87 87 A E H 3<5S+ 0 0 132 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.1 55.4 -62.0 -31.7 19.3 21.2 30.6 88 88 A A T 3<5S- 0 0 3 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.513 120.6-110.9 -78.3 -5.0 21.6 20.7 27.6 89 89 A G T < 5S+ 0 0 41 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.785 87.5 115.3 80.1 30.0 21.5 24.5 27.0 90 90 A L < + 0 0 5 -5,-2.7 15,-2.5 -6,-0.2 2,-0.3 0.290 67.0 41.4-114.9 10.2 19.5 24.2 23.8 91 91 A S B S-F 104 0B 4 -6,-0.4 13,-0.2 -5,-0.3 -2,-0.1 -0.989 72.1-119.6-154.2 162.1 16.2 25.9 24.7 92 92 A S S S+ 0 0 36 11,-2.3 12,-0.1 -2,-0.3 -1,-0.1 0.714 93.4 5.1 -75.5 -25.2 14.6 28.9 26.5 93 93 A K - 0 0 47 10,-0.2 -1,-0.2 2,-0.1 -7,-0.1 -0.987 68.7-114.3-157.5 157.8 12.6 26.9 29.1 94 94 A P S S+ 0 0 55 0, 0.0 2,-0.2 0, 0.0 -8,-0.2 0.799 91.5 63.7 -62.7 -36.4 12.0 23.3 30.2 95 95 A E - 0 0 131 -13,-0.1 2,-0.5 -12,-0.1 -2,-0.1 -0.632 62.9-153.3 -98.9 154.3 8.3 23.0 29.2 96 96 A S + 0 0 14 -2,-0.2 -22,-0.3 -24,-0.1 -14,-0.1 -0.987 22.3 162.8-126.8 120.7 6.6 23.1 25.8 97 97 A L > - 0 0 98 -2,-0.5 3,-2.0 -24,-0.1 5,-0.3 -0.994 45.8 -98.3-135.7 140.5 3.0 24.2 25.4 98 98 A P T 3 S+ 0 0 70 0, 0.0 3,-0.1 0, 0.0 -29,-0.1 -0.338 110.3 19.6 -59.5 136.2 1.2 25.3 22.3 99 99 A G T 3 S+ 0 0 84 1,-0.2 2,-0.1 3,-0.1 -3,-0.0 0.460 97.7 124.9 85.1 -0.2 1.1 29.1 22.1 100 100 A D S < S- 0 0 40 -3,-2.0 -1,-0.2 1,-0.1 -4,-0.0 -0.239 72.9-110.4 -84.7 178.7 4.0 29.6 24.5 101 101 A D + 0 0 126 -3,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.004 60.5 148.5 -99.3 28.6 7.2 31.6 23.9 102 102 A L - 0 0 11 -5,-0.3 2,-0.4 -10,-0.1 -55,-0.1 -0.399 22.7-175.6 -64.5 134.2 9.5 28.5 23.8 103 103 A R - 0 0 169 -2,-0.1 -11,-2.3 -10,-0.0 2,-0.4 -0.996 16.5-141.9-135.2 140.6 12.5 28.9 21.5 104 104 A L B -F 91 0B 9 -2,-0.4 2,-1.0 -13,-0.2 -13,-0.3 -0.806 16.2-131.1-100.4 141.9 15.2 26.4 20.6 105 105 A Y S S- 0 0 115 -15,-2.5 3,-0.1 -2,-0.4 -53,-0.1 -0.767 82.7 -31.2 -97.2 96.6 18.8 27.4 20.2 106 106 A G S S+ 0 0 9 -2,-1.0 -54,-2.1 1,-0.2 -53,-2.1 0.710 113.0 114.2 70.9 22.0 20.1 26.0 16.9 107 107 A V E - b 0 53A 0 -56,-0.2 -59,-2.9 -17,-0.2 2,-0.4 -0.962 44.2-168.7-127.7 142.3 17.9 23.0 17.1 108 108 A Y E -Ab 47 54A 1 -55,-2.1 -53,-2.5 -2,-0.4 2,-0.4 -0.993 9.7-152.0-131.0 138.6 14.9 21.9 14.9 109 109 A L E +Ab 46 55A 0 -63,-3.3 -63,-2.4 -2,-0.4 2,-0.2 -0.926 32.3 123.8-117.0 132.3 12.4 19.1 15.7 110 110 A T E - b 0 56A 4 -55,-2.1 -53,-3.1 -2,-0.4 2,-0.3 -0.854 37.1-126.2-159.8-166.1 10.5 16.9 13.2 111 111 A A E - b 0 57A 14 -55,-0.3 -53,-0.2 -2,-0.2 -52,-0.1 -0.974 26.5-108.1-153.4 166.6 9.8 13.3 12.3 112 112 A A S S+ 0 0 3 -55,-2.0 2,-0.4 -2,-0.3 22,-0.2 0.831 110.0 34.9 -65.5 -36.4 9.8 10.7 9.5 113 113 A V - 0 0 2 -55,-2.1 -1,-0.1 -56,-0.1 14,-0.1 -0.958 68.2-162.0-120.9 139.3 6.0 10.6 9.4 114 114 A R + 0 0 4 -2,-0.4 -71,-2.9 -55,-0.2 2,-0.4 0.368 66.6 68.7-108.4 7.2 4.0 13.7 10.0 115 115 A C S S- 0 0 15 -73,-0.2 -95,-0.1 -55,-0.1 -53,-0.1 -0.977 91.7 -99.3-126.3 139.2 0.5 12.2 10.8 116 116 A A - 0 0 0 -2,-0.4 -55,-0.1 -75,-0.2 -93,-0.1 -0.344 41.0-158.6 -59.3 120.1 -0.4 10.2 13.9 117 117 A P > - 0 0 4 0, 0.0 3,-2.1 0, 0.0 -55,-0.2 -0.748 28.3 -91.7-102.8 151.2 -0.4 6.5 13.1 118 118 A P G > S+ 0 0 26 0, 0.0 3,-2.3 0, 0.0 -99,-0.0 -0.273 113.3 6.6 -56.6 142.6 -2.2 3.8 15.1 119 119 A K G 3 S- 0 0 179 1,-0.3 -58,-0.0 -3,-0.0 -3,-0.0 0.643 121.5 -83.9 57.4 15.8 -0.0 2.2 17.8 120 120 A N G < S+ 0 0 95 -3,-2.1 -1,-0.3 1,-0.2 -61,-0.1 0.805 103.8 122.6 57.1 30.8 2.5 4.9 16.9 121 121 A K < - 0 0 148 -3,-2.3 -1,-0.2 -63,-0.0 2,-0.1 -0.862 46.5-163.8-128.4 97.3 3.6 2.6 14.2 122 122 A P - 0 0 12 0, 0.0 -6,-0.0 0, 0.0 -63,-0.0 -0.372 24.3-115.2 -73.7 158.3 3.5 3.9 10.5 123 123 A T > - 0 0 48 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.471 25.4-107.4 -89.6 165.6 3.7 1.4 7.7 124 124 A P H > S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.890 122.6 53.8 -59.5 -35.9 6.6 1.2 5.2 125 125 A E H > S+ 0 0 139 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.894 108.8 47.0 -64.9 -40.7 4.2 2.7 2.6 126 126 A E H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.912 112.1 51.1 -67.4 -41.2 3.4 5.6 4.8 127 127 A L H X S+ 0 0 37 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.905 110.1 49.2 -61.8 -41.6 7.1 6.1 5.6 128 128 A R H < S+ 0 0 163 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.863 111.7 50.7 -66.8 -34.0 7.8 6.1 1.8 129 129 A A H >< S+ 0 0 16 -4,-1.8 3,-1.5 1,-0.2 4,-0.3 0.944 108.9 47.7 -68.8 -48.8 5.1 8.6 1.2 130 130 A C H >X S+ 0 0 14 -4,-2.6 3,-1.5 1,-0.3 4,-1.4 0.633 88.9 85.6 -70.9 -12.0 6.1 11.1 3.9 131 131 A A H 3X S+ 0 0 41 -4,-0.9 4,-2.0 1,-0.3 -1,-0.3 0.771 79.4 66.3 -59.3 -24.1 9.7 11.0 2.6 132 132 A R H <> S+ 0 0 125 -3,-1.5 4,-1.5 -4,-0.3 -1,-0.3 0.848 102.8 45.8 -66.2 -31.1 8.6 13.6 0.1 133 133 A W H <> S+ 0 0 27 -3,-1.5 4,-3.2 -4,-0.3 5,-0.2 0.781 106.3 58.2 -80.8 -28.1 8.1 16.1 3.0 134 134 A T H X S+ 0 0 5 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.896 105.9 51.6 -66.6 -37.4 11.4 15.1 4.6 135 135 A E H X S+ 0 0 126 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.949 114.6 41.5 -63.0 -48.5 13.0 16.2 1.3 136 136 A V H X S+ 0 0 37 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.942 117.4 46.9 -64.5 -47.8 11.3 19.5 1.4 137 137 A E H >< S+ 0 0 1 -4,-3.2 3,-0.8 1,-0.2 -2,-0.2 0.910 114.4 44.3 -64.4 -45.0 11.7 20.1 5.1 138 138 A L H >< S+ 0 0 9 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.800 105.3 64.8 -71.5 -24.5 15.4 19.2 5.3 139 139 A G H 3< S+ 0 0 58 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.759 97.9 55.6 -66.4 -23.2 16.0 21.3 2.2 140 140 A L T << S+ 0 0 50 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.422 101.1 61.7 -88.0 0.8 15.0 24.3 4.2 141 141 A L X + 0 0 5 -3,-1.5 3,-1.3 1,-0.1 -1,-0.2 -0.544 55.2 154.9-127.0 66.7 17.7 23.6 6.8 142 142 A P T 3 + 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -92,-0.1 0.638 68.5 64.0 -67.9 -15.2 21.0 23.8 4.9 143 143 A E T 3 S+ 0 0 82 -92,-0.2 2,-0.1 -3,-0.1 -93,-0.1 0.468 70.7 123.8 -89.9 -2.3 23.0 24.7 8.1 144 144 A V < + 0 0 1 -3,-1.3 -91,-0.2 -6,-0.2 -92,-0.2 -0.398 26.3 167.8 -63.4 130.5 22.3 21.4 9.8 145 145 A R + 0 0 107 -93,-2.8 39,-2.4 1,-0.3 2,-0.4 0.612 64.7 44.6-113.9 -25.8 25.5 19.6 10.8 146 146 A V E -cd 53 184A 0 -94,-2.0 -92,-2.7 37,-0.2 2,-0.5 -0.985 60.1-167.2-129.7 125.9 24.1 16.9 13.1 147 147 A Y E -cd 54 185A 3 37,-2.8 39,-3.1 -2,-0.4 2,-0.7 -0.952 9.4-159.5-111.0 122.5 21.1 14.7 12.6 148 148 A V E -cd 55 186A 0 -94,-3.4 -92,-3.2 -2,-0.5 2,-0.6 -0.901 5.5-153.2-107.4 111.7 19.9 12.8 15.6 149 149 A A E -cd 56 187A 0 37,-3.3 39,-2.4 -2,-0.7 2,-1.2 -0.728 2.8-153.0 -85.8 121.5 17.7 9.8 14.8 150 150 A L E - d 0 188A 4 -94,-2.8 4,-0.3 -2,-0.6 40,-0.2 -0.742 67.9 -13.6 -95.6 88.3 15.3 8.9 17.6 151 151 A G S > S- 0 0 7 37,-2.5 4,-1.9 -2,-1.2 5,-0.1 -0.187 87.6 -74.3 105.6 161.8 14.9 5.2 17.1 152 152 A R H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.882 125.8 50.4 -61.2 -45.0 15.6 2.6 14.4 153 153 A I H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.909 110.7 49.4 -63.8 -41.9 12.8 3.6 12.0 154 154 A A H > S+ 0 0 1 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.899 111.0 51.1 -63.1 -40.2 13.9 7.3 12.1 155 155 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.944 109.1 49.8 -62.2 -46.9 17.5 6.3 11.5 156 156 A E H X S+ 0 0 50 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.831 107.9 54.5 -61.9 -32.1 16.5 4.2 8.5 157 157 A A H X S+ 0 0 27 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.907 110.4 45.8 -68.1 -40.3 14.4 7.1 7.1 158 158 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.892 110.6 53.4 -68.8 -39.1 17.5 9.4 7.3 159 159 A L H X>S+ 0 0 2 -4,-2.6 5,-3.1 1,-0.2 4,-0.6 0.921 110.0 47.9 -61.1 -42.7 19.7 6.7 5.8 160 160 A A H ><5S+ 0 0 78 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.917 109.0 54.1 -64.3 -42.4 17.3 6.4 2.8 161 161 A H H 3<5S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.862 115.7 38.6 -59.8 -37.4 17.2 10.2 2.5 162 162 A F H 3<5S- 0 0 62 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.380 113.5-113.2 -96.5 4.6 21.0 10.4 2.2 163 163 A G T <<5 + 0 0 69 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.877 63.6 152.8 67.1 39.0 21.4 7.2 0.1 164 164 A L < - 0 0 44 -5,-3.1 2,-0.2 -6,-0.2 -1,-0.2 -0.811 46.9-111.0-105.1 143.1 23.2 5.3 2.9 165 165 A R > - 0 0 182 -2,-0.3 4,-0.6 1,-0.1 3,-0.1 -0.490 11.1-143.8 -73.9 133.7 23.2 1.5 3.3 166 166 A K T >4 S+ 0 0 127 -2,-0.2 3,-1.1 1,-0.2 -1,-0.1 0.912 100.2 59.0 -60.6 -41.5 21.4 0.1 6.3 167 167 A S T 34 S+ 0 0 100 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.880 106.8 44.1 -53.8 -46.7 24.1 -2.6 6.6 168 168 A A T 34 S+ 0 0 62 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.485 116.9 46.7 -81.2 -5.4 26.9 -0.1 7.1 169 169 A H S << S- 0 0 31 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.1 -0.441 79.7-175.2-135.0 61.1 25.0 2.1 9.6 170 170 A P - 0 0 70 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.137 28.6-107.9 -57.5 149.7 23.4 -0.3 12.1 171 171 A F + 0 0 61 -5,-0.0 2,-0.3 3,-0.0 -19,-0.1 -0.674 55.1 135.4 -86.2 133.1 21.1 1.0 14.7 172 172 A R > - 0 0 145 -2,-0.4 3,-1.8 -21,-0.1 2,-0.2 -0.928 61.2 -89.3-166.3 148.5 22.2 1.1 18.3 173 173 A H T 3 S+ 0 0 32 -2,-0.3 15,-0.2 1,-0.3 -2,-0.0 -0.496 114.9 20.8 -65.8 130.5 22.0 3.7 21.0 174 174 A G T 3 S+ 0 0 38 13,-2.5 -1,-0.3 1,-0.3 14,-0.1 0.437 84.4 154.0 92.8 -0.6 25.0 6.0 20.8 175 175 A A < - 0 0 0 -3,-1.8 12,-2.1 12,-0.2 2,-0.4 -0.322 23.7-165.2 -62.7 143.7 25.9 5.2 17.2 176 176 A H E -E 186 0A 70 10,-0.2 10,-0.2 2,-0.0 -1,-0.0 -0.971 9.1-178.2-137.4 120.5 27.8 7.9 15.4 177 177 A Y E -E 185 0A 37 8,-3.0 8,-2.2 -2,-0.4 2,-0.1 -0.947 17.9-143.8-123.4 112.8 28.3 8.1 11.6 178 178 A P E -E 184 0A 95 0, 0.0 6,-0.3 0, 0.0 3,-0.0 -0.474 17.9-161.2 -73.7 142.2 30.4 10.9 10.0 179 179 A L E >> -E 183 0A 22 4,-3.2 4,-1.3 -2,-0.1 3,-0.6 -0.855 31.1 -80.2-122.1 158.3 29.2 12.2 6.7 180 180 A P T 34 S+ 0 0 123 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.197 112.0 34.9 -55.2 145.2 30.9 14.2 3.9 181 181 A G T 34 S- 0 0 84 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.718 133.1 -66.7 83.4 21.0 31.2 17.9 4.6 182 182 A G T <4 S+ 0 0 43 -3,-0.6 2,-0.2 1,-0.2 -1,-0.2 0.782 94.9 142.0 71.0 26.7 31.7 17.7 8.3 183 183 A R E < - E 0 179A 62 -4,-1.3 -4,-3.2 -3,-0.2 2,-0.3 -0.605 32.7-156.4 -97.9 162.4 28.2 16.3 8.9 184 184 A H E -dE 146 178A 32 -39,-2.4 -37,-2.8 -6,-0.3 2,-0.5 -0.997 12.9-153.7-143.9 145.0 27.2 13.7 11.5 185 185 A L E -dE 147 177A 1 -8,-2.2 -8,-3.0 -2,-0.3 2,-0.4 -0.973 18.7-173.2-117.6 125.9 24.5 11.2 12.1 186 186 A L E -dE 148 176A 9 -39,-3.1 -37,-3.3 -2,-0.5 2,-0.4 -0.947 8.8-151.0-120.6 143.5 23.8 10.2 15.7 187 187 A A E +d 149 0A 1 -12,-2.1 -13,-2.5 -2,-0.4 2,-0.3 -0.921 16.9 171.5-117.7 141.6 21.4 7.4 16.8 188 188 A S E -d 150 0A 0 -39,-2.4 -37,-2.5 -2,-0.4 -33,-0.1 -0.934 42.4 -94.7-138.9 158.9 19.5 7.2 20.1 189 189 A Y - 0 0 64 -2,-0.3 -15,-0.0 -39,-0.2 -38,-0.0 -0.462 60.4 -92.9 -67.4 152.6 16.8 5.0 21.5 190 190 A H - 0 0 64 -40,-0.2 -39,-0.1 1,-0.1 -1,-0.1 -0.324 26.7-125.7 -66.9 154.9 13.4 6.6 20.8 191 191 A V + 0 0 4 -41,-0.1 -111,-0.2 4,-0.1 -110,-0.2 -0.039 62.2 138.3 -92.0 32.0 12.1 8.8 23.6 192 192 A S S > S- 0 0 22 1,-0.1 4,-1.9 -112,-0.1 5,-0.2 -0.244 70.2-105.5 -70.8 165.3 8.8 6.9 23.7 193 193 A R H > S+ 0 0 125 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.851 116.9 61.3 -62.1 -35.3 7.2 6.0 27.0 194 194 A Q H > S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 6,-0.3 0.939 109.6 39.1 -57.4 -51.0 8.2 2.4 26.7 195 195 A N H >>S+ 0 0 14 1,-0.2 6,-2.1 2,-0.2 4,-0.8 0.867 120.8 44.1 -68.5 -38.3 11.9 3.2 26.7 196 196 A T H <5S+ 0 0 30 -4,-1.9 -2,-0.2 4,-0.2 -1,-0.2 0.830 113.2 48.9 -78.7 -32.5 11.8 5.9 29.3 197 197 A Q H <5S+ 0 0 116 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.836 113.7 46.1 -76.1 -32.6 9.5 4.2 31.8 198 198 A T H <5S- 0 0 96 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.690 111.7-118.3 -81.9 -20.2 11.5 0.9 31.8 199 199 A G T <5S+ 0 0 38 -4,-0.8 3,-0.2 2,-0.3 -3,-0.2 0.453 78.5 126.2 95.7 0.7 14.8 2.8 32.1 200 200 A R S - 0 0 57 -2,-0.6 4,-2.0 -3,-0.2 5,-0.2 -0.423 31.1-114.0 -86.7 165.9 17.7 7.1 31.0 203 203 A R H > S+ 0 0 168 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 119.4 51.4 -65.2 -38.8 17.7 10.9 31.3 204 204 A E H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 107.6 53.6 -65.9 -37.2 21.5 10.9 31.6 205 205 A M H > S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.918 111.6 43.8 -63.7 -43.9 21.8 8.8 28.5 206 206 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.891 110.2 54.7 -70.6 -37.0 19.7 11.2 26.4 207 207 A L H X S+ 0 0 30 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.887 105.7 55.1 -61.4 -36.6 21.5 14.2 27.8 208 208 A E H X S+ 0 0 112 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.893 106.1 50.6 -62.1 -41.9 24.8 12.6 26.7 209 209 A V H X S+ 0 0 11 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.926 111.5 47.9 -62.6 -44.3 23.4 12.3 23.2 210 210 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.883 109.7 52.1 -64.2 -39.4 22.4 16.0 23.2 211 211 A M H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.877 110.3 49.0 -65.6 -35.6 25.8 17.0 24.5 212 212 A E H X S+ 0 0 55 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.900 108.6 52.9 -69.7 -39.5 27.5 15.1 21.7 213 213 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 6,-0.3 0.911 110.0 49.4 -61.1 -41.1 25.2 16.7 19.2 214 214 A K H <>S+ 0 0 40 -4,-2.2 5,-2.5 2,-0.2 4,-0.4 0.938 111.9 47.7 -62.7 -47.6 26.3 20.1 20.5 215 215 A R H ><5S+ 0 0 142 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.944 114.0 45.9 -58.6 -50.4 30.0 19.2 20.4 216 216 A L H 3<5S+ 0 0 14 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.730 110.9 53.9 -66.3 -23.7 29.8 17.8 16.8 217 217 A A T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.434 114.9-115.2 -90.2 -0.6 27.7 20.9 15.7 218 218 A G T < 5 0 0 53 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.656 360.0 360.0 75.9 14.8 30.4 23.2 17.0 219 219 A L < 0 0 110 -5,-2.5 -1,-0.2 -6,-0.3 -113,-0.0 -0.246 360.0 360.0 -87.4 360.0 27.9 24.6 19.6