==== 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 DNA BINDING PROTEIN 21-MAR-02 1L8Q . COMPND 2 MOLECULE: CHROMOSOMAL REPLICATION INITIATOR PROTEIN DNAA; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.P.ERZBERGER,M.M.PIRRUCCELLO,J.M.BERGER . 321 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18264.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 245 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 1 1 1 1 1 1 0 4 1 2 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 77 A D 0 0 72 0, 0.0 68,-2.4 0, 0.0 56,-0.0 0.000 360.0 360.0 360.0 -39.4 50.1 64.3 13.4 2 78 A F + 0 0 148 1,-0.2 2,-0.3 66,-0.1 66,-0.1 0.710 360.0 155.5 81.6 24.6 49.5 67.8 12.0 3 79 A L - 0 0 20 64,-0.1 -1,-0.2 54,-0.1 52,-0.0 -0.623 37.8-144.6 -87.0 141.5 50.2 69.7 15.2 4 80 A N > - 0 0 72 -2,-0.3 3,-2.1 1,-0.1 54,-0.1 -0.899 9.7-148.4-104.5 105.5 51.4 73.4 15.1 5 81 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.686 86.2 79.1 -46.9 -24.8 53.8 73.8 18.0 6 82 A K T 3 S+ 0 0 137 -3,-0.0 2,-0.6 2,-0.0 5,-0.1 0.710 78.2 78.0 -62.6 -23.2 52.7 77.5 18.5 7 83 A Y < + 0 0 55 -3,-2.1 2,-0.3 47,-0.1 51,-0.2 -0.785 63.5 162.8 -89.5 119.9 49.6 76.4 20.4 8 84 A T - 0 0 21 -2,-0.6 3,-0.4 1,-0.1 4,-0.2 -0.972 52.1-128.0-138.0 156.6 50.3 75.5 24.0 9 85 A L S S+ 0 0 5 46,-0.4 3,-0.5 -2,-0.3 -1,-0.1 0.752 114.6 59.9 -63.8 -24.0 48.5 75.0 27.3 10 86 A E S S+ 0 0 131 1,-0.2 -1,-0.2 45,-0.1 -3,-0.0 0.825 108.1 40.0 -78.2 -30.9 51.1 77.3 28.6 11 87 A N S S+ 0 0 65 -3,-0.4 2,-0.7 2,-0.1 -1,-0.2 0.201 88.6 108.0-101.6 16.2 50.2 80.2 26.2 12 88 A F - 0 0 19 -3,-0.5 2,-0.3 -4,-0.2 -5,-0.0 -0.853 66.8-142.6 -88.2 115.1 46.5 79.6 26.6 13 89 A I - 0 0 30 -2,-0.7 2,-0.4 156,-0.0 -2,-0.1 -0.659 14.4-140.8 -80.1 137.8 45.2 82.5 28.8 14 90 A V + 0 0 51 -2,-0.3 2,-0.3 3,-0.0 -1,-0.0 -0.853 30.6 154.4-110.5 131.3 42.5 81.5 31.2 15 91 A G >> - 0 0 11 -2,-0.4 3,-1.9 149,-0.2 4,-1.1 -0.848 61.3 -86.8-139.9 175.2 39.4 83.5 32.2 16 92 A E T 34 S+ 0 0 146 1,-0.3 4,-0.3 -2,-0.3 149,-0.1 0.669 122.5 63.6 -69.7 -3.7 36.1 82.5 33.5 17 93 A G T 34 S+ 0 0 11 1,-0.1 147,-2.6 2,-0.1 -1,-0.3 0.637 116.8 22.6 -90.4 -14.9 34.9 82.0 29.9 18 94 A N T <> S+ 0 0 3 -3,-1.9 4,-2.5 145,-0.2 -2,-0.2 0.260 91.6 103.2-133.7 8.7 37.3 79.1 29.1 19 95 A R H X S+ 0 0 105 -4,-1.1 4,-4.0 2,-0.2 5,-0.3 0.936 79.6 50.8 -59.9 -54.7 38.2 77.7 32.5 20 96 A L H > S+ 0 0 93 -4,-0.3 4,-3.5 2,-0.2 5,-0.3 0.964 114.1 44.0 -47.6 -63.9 35.9 74.6 32.3 21 97 A A H > S+ 0 0 0 141,-0.4 4,-2.9 1,-0.2 5,-0.3 0.934 117.0 47.5 -48.6 -52.1 37.2 73.5 28.9 22 98 A Y H X S+ 0 0 38 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.922 114.8 44.4 -57.7 -48.0 40.8 74.3 30.0 23 99 A E H X S+ 0 0 73 -4,-4.0 4,-3.2 2,-0.2 5,-0.2 0.939 114.0 49.7 -65.0 -45.7 40.5 72.4 33.3 24 100 A V H X S+ 0 0 4 -4,-3.5 4,-2.5 -5,-0.3 -2,-0.2 0.928 110.7 49.4 -58.4 -46.6 38.7 69.4 31.8 25 101 A V H X S+ 0 0 1 -4,-2.9 4,-1.5 -5,-0.3 -1,-0.2 0.923 113.9 47.1 -60.4 -42.0 41.3 69.1 29.1 26 102 A K H X S+ 0 0 105 -4,-2.3 4,-1.1 -5,-0.3 -2,-0.2 0.895 110.0 50.6 -67.0 -44.0 44.1 69.3 31.7 27 103 A E H >X S+ 0 0 82 -4,-3.2 3,-0.6 1,-0.2 4,-0.6 0.920 110.2 53.5 -56.1 -41.4 42.4 66.8 34.0 28 104 A A H >< S+ 0 0 2 -4,-2.5 3,-0.7 1,-0.2 6,-0.3 0.825 101.1 57.8 -66.0 -32.9 42.2 64.5 31.0 29 105 A L H >< S+ 0 0 9 -4,-1.5 3,-0.6 1,-0.2 -1,-0.2 0.804 103.9 53.4 -68.3 -27.0 45.9 64.8 30.2 30 106 A E H << S+ 0 0 135 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.600 124.6 25.3 -84.1 -12.4 46.7 63.4 33.6 31 107 A N T XX S- 0 0 81 -3,-0.7 3,-2.8 -4,-0.6 4,-0.9 -0.219 90.1-156.3-143.3 49.9 44.5 60.4 33.1 32 108 A L T <4 S- 0 0 25 -3,-0.6 -3,-0.1 1,-0.3 5,-0.1 0.108 73.4 -8.8 -33.5 125.9 44.4 60.0 29.3 33 109 A G T 34 S+ 0 0 6 3,-0.3 -1,-0.3 1,-0.1 98,-0.1 0.339 121.4 81.9 66.0 -3.0 41.3 58.1 28.1 34 110 A S T <4 S+ 0 0 64 -3,-2.8 -2,-0.2 -6,-0.3 3,-0.1 0.671 91.8 33.2-107.8 -19.3 40.2 57.2 31.6 35 111 A L S < S+ 0 0 88 -4,-0.9 2,-0.5 1,-0.3 -3,-0.1 0.854 125.1 16.7-102.0 -57.6 38.4 60.1 33.1 36 112 A Y - 0 0 57 -5,-0.2 -1,-0.3 -12,-0.1 -3,-0.3 -0.980 68.1-167.8-124.7 125.2 36.6 61.8 30.3 37 113 A N S S+ 0 0 19 1,-0.5 2,-0.1 -2,-0.5 97,-0.1 -0.815 73.2 16.7-161.9 114.4 35.9 60.2 27.0 38 114 A P S S- 0 0 1 0, 0.0 121,-2.6 0, 0.0 -1,-0.5 0.608 71.3-162.8 -91.0 173.5 35.0 61.8 24.9 39 115 A I E -ab 134 159A 0 94,-1.9 96,-3.3 -3,-0.2 2,-0.5 -0.955 9.5-168.2-105.2 129.5 35.6 65.5 25.5 40 116 A F E -ab 135 160A 0 119,-2.9 121,-2.1 -2,-0.5 2,-0.4 -0.934 2.3-168.3-125.1 105.5 33.4 67.7 23.2 41 117 A I E +ab 136 161A 0 94,-2.8 96,-2.4 -2,-0.5 2,-0.3 -0.791 9.2 178.3 -95.8 134.1 34.3 71.4 23.1 42 118 A Y E +ab 137 162A 36 119,-1.9 121,-3.1 -2,-0.4 2,-0.3 -0.988 14.8 121.8-138.8 148.1 32.0 73.9 21.5 43 119 A G - 0 0 6 94,-1.4 121,-0.1 -2,-0.3 4,-0.1 -0.946 55.0 -71.1 175.7 168.7 31.9 77.6 21.0 44 120 A S S S- 0 0 76 119,-0.4 3,-0.4 -2,-0.3 5,-0.3 -0.164 71.5 -59.8 -74.4 171.3 31.8 80.3 18.4 45 121 A V S S+ 0 0 92 1,-0.2 -1,-0.2 2,-0.1 93,-0.0 -0.135 119.1 16.4 -53.6 138.4 34.6 81.3 16.0 46 122 A G S S+ 0 0 35 -3,-0.1 -1,-0.2 153,-0.1 -2,-0.1 0.895 88.0 122.8 70.6 43.7 37.9 82.5 17.5 47 123 A T S S- 0 0 6 -3,-0.4 -2,-0.1 -4,-0.1 119,-0.1 0.477 87.0 -89.7-119.8 -5.6 37.1 81.2 20.9 48 124 A G S > S+ 0 0 17 -5,-0.1 4,-3.0 115,-0.1 5,-0.2 0.334 86.1 122.5 114.8 -5.1 40.0 78.8 21.6 49 125 A K H > S+ 0 0 14 -5,-0.3 4,-2.5 2,-0.2 5,-0.2 0.947 82.1 36.6 -54.9 -56.2 38.8 75.5 20.3 50 126 A T H > S+ 0 0 41 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.940 117.1 52.9 -67.2 -43.4 41.6 74.8 17.8 51 127 A H H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 111.9 45.8 -54.8 -47.0 44.2 76.3 20.1 52 128 A L H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.911 112.1 49.7 -67.8 -42.9 43.1 74.0 23.0 53 129 A L H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.951 115.4 44.2 -59.6 -47.0 42.9 70.8 20.9 54 130 A Q H X S+ 0 0 10 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.808 109.5 54.8 -71.5 -29.6 46.4 71.4 19.5 55 131 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 -5,-0.3 -46,-0.4 0.911 109.3 48.9 -68.9 -39.6 47.8 72.4 22.9 56 132 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.944 111.7 49.5 -60.6 -48.1 46.6 69.1 24.3 57 133 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.925 108.7 51.4 -58.7 -46.6 48.1 67.2 21.3 58 134 A N H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.895 111.8 48.4 -59.1 -39.0 51.4 69.0 21.7 59 135 A E H X S+ 0 0 35 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.952 110.3 49.1 -63.3 -52.9 51.5 68.0 25.4 60 136 A A H <>S+ 0 0 0 -4,-2.8 5,-3.1 1,-0.2 4,-0.3 0.849 114.4 47.3 -58.4 -32.7 50.6 64.4 24.8 61 137 A K H ><5S+ 0 0 98 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.909 107.1 54.1 -75.8 -41.6 53.3 64.2 22.2 62 138 A K H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.714 109.3 51.7 -63.4 -18.7 55.9 65.9 24.3 63 139 A R T 3<5S- 0 0 101 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.558 128.7 -98.9 -94.0 -11.1 55.0 63.1 26.8 64 140 A G T < 5S+ 0 0 66 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.407 73.6 141.1 111.1 0.9 55.5 60.4 24.2 65 141 A Y < - 0 0 91 -5,-3.1 2,-0.5 -6,-0.2 -1,-0.3 -0.410 55.9-114.4 -78.6 151.3 51.9 59.6 23.1 66 142 A R - 0 0 174 -2,-0.1 33,-2.8 31,-0.1 34,-1.6 -0.731 45.8-176.0 -83.1 123.0 50.9 58.9 19.5 67 143 A V E -c 100 0A 12 -2,-0.5 2,-0.4 31,-0.2 34,-0.2 -0.937 22.5-171.0-129.2 143.7 48.7 61.7 18.3 68 144 A I E -c 101 0A 15 32,-2.4 34,-2.5 -2,-0.4 2,-0.4 -0.998 5.3-172.7-130.2 136.2 46.6 62.7 15.4 69 145 A Y E +c 102 0A 29 -68,-2.4 2,-0.3 -2,-0.4 34,-0.2 -0.971 18.0 150.3-118.5 141.9 44.9 66.0 14.8 70 146 A S E -c 103 0A 9 32,-2.4 34,-2.4 -2,-0.4 2,-0.2 -0.944 41.5-120.2-167.2 144.6 42.6 66.7 11.9 71 147 A S E > -c 104 0A 19 -2,-0.3 4,-2.3 32,-0.2 3,-0.3 -0.583 36.5-115.3 -82.2 153.3 39.6 68.8 11.0 72 148 A A H > S+ 0 0 0 32,-2.8 4,-2.7 1,-0.2 5,-0.2 0.843 113.9 54.0 -59.9 -34.4 36.6 66.9 10.1 73 149 A D H > S+ 0 0 56 31,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 110.9 44.1 -69.9 -37.8 36.6 68.2 6.5 74 150 A D H > S+ 0 0 97 -3,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.850 112.4 54.4 -72.7 -33.6 40.2 67.1 5.9 75 151 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.956 110.4 46.4 -61.2 -49.1 39.3 63.8 7.6 76 152 A A H X S+ 0 0 5 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.903 114.1 47.4 -58.4 -45.8 36.4 63.4 5.2 77 153 A Q H X S+ 0 0 111 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.895 112.0 49.8 -66.8 -40.4 38.6 64.3 2.2 78 154 A A H X S+ 0 0 24 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.882 108.7 52.4 -67.4 -36.0 41.4 62.0 3.3 79 155 A X H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.912 109.0 49.0 -69.8 -37.2 39.0 59.0 3.8 80 156 A V H X S+ 0 0 61 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.825 111.0 52.2 -67.5 -31.7 37.6 59.4 0.3 81 157 A E H X S+ 0 0 105 -4,-1.5 4,-1.7 2,-0.2 6,-0.2 0.919 110.7 45.0 -70.0 -46.2 41.1 59.6 -1.1 82 158 A H H X>S+ 0 0 35 -4,-2.2 5,-3.0 1,-0.2 4,-1.0 0.882 109.1 59.4 -65.0 -36.6 42.3 56.4 0.6 83 159 A L H <5S+ 0 0 61 -4,-2.0 -1,-0.2 4,-0.3 -2,-0.2 0.876 110.5 39.3 -62.1 -40.0 39.1 54.7 -0.5 84 160 A K H <5S+ 0 0 167 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.778 111.8 56.3 -81.4 -26.2 39.7 55.3 -4.2 85 161 A K H <5S- 0 0 167 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.636 118.3-112.1 -77.0 -13.6 43.4 54.5 -4.0 86 162 A G T <5S+ 0 0 65 -4,-1.0 3,-0.3 -3,-0.2 -3,-0.2 0.546 92.0 106.3 93.8 12.9 42.5 51.2 -2.5 87 163 A T >>< + 0 0 37 -5,-3.0 3,-1.8 -6,-0.2 4,-1.7 0.146 21.3 126.4-113.1 19.9 43.9 52.1 0.9 88 164 A I H 3> S+ 0 0 22 -6,-0.7 4,-2.0 1,-0.3 -1,-0.2 0.854 76.4 62.1 -45.2 -32.8 40.8 52.6 3.1 89 165 A N H 3> S+ 0 0 94 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.830 99.9 48.6 -66.8 -33.5 42.5 50.1 5.4 90 166 A E H <> S+ 0 0 112 -3,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.810 108.4 58.5 -74.2 -28.3 45.6 52.2 6.1 91 167 A F H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.959 110.9 39.7 -60.5 -52.2 43.2 55.0 6.8 92 168 A R H X S+ 0 0 64 -4,-2.0 4,-3.3 1,-0.2 5,-0.3 0.972 114.5 50.9 -63.7 -55.6 41.5 53.1 9.6 93 169 A N H X S+ 0 0 104 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.871 108.6 54.7 -52.1 -40.9 44.5 51.5 11.0 94 170 A X H >< S+ 0 0 68 -4,-1.9 3,-1.2 1,-0.2 -1,-0.2 0.983 115.6 36.5 -52.3 -62.5 46.2 54.9 11.2 95 171 A Y H >< S+ 0 0 10 -4,-1.9 3,-1.0 1,-0.3 -2,-0.2 0.813 113.0 58.6 -65.7 -31.2 43.4 56.4 13.2 96 172 A K H 3< S+ 0 0 61 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.606 101.2 58.2 -76.6 -8.3 42.7 53.3 15.2 97 173 A S T << S+ 0 0 64 -3,-1.2 -1,-0.2 -4,-0.8 -2,-0.2 0.294 80.1 105.6-108.1 8.7 46.2 53.2 16.6 98 174 A V < - 0 0 5 -3,-1.0 -31,-0.2 1,-0.1 3,-0.2 -0.400 59.5-145.8 -88.6 165.9 46.6 56.6 18.3 99 175 A D S S+ 0 0 36 -33,-2.8 33,-1.8 1,-0.3 2,-0.3 0.618 94.3 29.7 -92.6 -21.3 46.7 57.4 22.0 100 176 A L E -cd 67 132A 0 -34,-1.6 -32,-2.4 31,-0.2 2,-0.5 -0.925 65.7-170.1-146.4 113.6 45.0 60.8 21.3 101 177 A L E -cd 68 133A 0 31,-2.6 33,-2.6 -2,-0.3 2,-0.6 -0.896 4.8-169.2-106.0 129.1 42.6 61.6 18.5 102 178 A L E -cd 69 134A 0 -34,-2.5 -32,-2.4 -2,-0.5 2,-0.6 -0.939 3.8-176.9-121.2 108.5 41.7 65.3 17.9 103 179 A L E -cd 70 135A 0 31,-2.1 33,-1.8 -2,-0.6 3,-0.4 -0.927 11.3-164.0-109.0 112.9 38.9 65.9 15.5 104 180 A D E +c 71 0A 0 -34,-2.4 -32,-2.8 -2,-0.6 -31,-0.2 -0.660 63.2 15.5 -99.0 149.2 38.3 69.6 15.0 105 181 A D > + 0 0 43 -2,-0.3 3,-2.4 -34,-0.2 32,-0.2 0.861 64.8 178.6 59.7 44.8 35.2 71.3 13.5 106 182 A V G > + 0 0 0 30,-2.7 3,-2.5 -3,-0.4 4,-0.2 0.698 66.8 80.6 -50.1 -26.6 32.9 68.2 13.8 107 183 A Q G > S+ 0 0 14 1,-0.3 3,-1.6 29,-0.2 -1,-0.3 0.805 81.4 66.0 -50.5 -33.8 30.0 70.2 12.3 108 184 A F G < S+ 0 0 101 -3,-2.4 -1,-0.3 1,-0.3 4,-0.2 0.465 78.1 83.0 -74.9 -0.9 31.4 69.5 8.9 109 185 A L G X + 0 0 0 -3,-2.5 3,-0.8 -4,-0.1 -1,-0.3 0.679 66.0 116.5 -68.8 -19.6 30.7 65.8 9.3 110 186 A S T < S+ 0 0 53 -3,-1.6 2,-0.2 1,-0.2 37,-0.2 -0.283 82.6 7.3 -60.2 133.3 27.1 66.6 8.2 111 187 A G T 3 S+ 0 0 54 35,-1.3 2,-2.7 1,-0.1 -1,-0.2 -0.188 98.6 107.2 90.5 -39.7 26.1 64.9 5.0 112 188 A K <> + 0 0 68 -3,-0.8 4,-2.8 -4,-0.2 5,-0.2 -0.401 41.9 167.2 -75.1 74.7 29.3 62.9 4.9 113 189 A E H > S+ 0 0 117 -2,-2.7 4,-3.2 1,-0.2 -1,-0.2 0.909 72.6 47.4 -57.4 -49.9 27.6 59.6 5.8 114 190 A R H > S+ 0 0 104 1,-0.2 4,-3.6 -3,-0.2 5,-0.3 0.938 112.1 51.0 -59.7 -47.7 30.5 57.3 4.9 115 191 A T H > S+ 0 0 3 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 110.8 48.8 -54.5 -46.4 32.8 59.6 6.8 116 192 A Q H X S+ 0 0 4 -4,-2.8 4,-2.8 -7,-0.3 -2,-0.2 0.966 113.0 47.9 -59.1 -50.5 30.5 59.5 9.8 117 193 A I H X S+ 0 0 77 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.937 113.1 46.9 -57.5 -46.8 30.3 55.7 9.6 118 194 A E H X S+ 0 0 8 -4,-3.6 4,-1.9 1,-0.2 -1,-0.2 0.894 112.7 50.6 -65.1 -33.9 34.0 55.4 9.3 119 195 A F H X S+ 0 0 0 -4,-2.7 4,-3.6 -5,-0.3 -1,-0.2 0.866 105.1 57.2 -69.7 -36.7 34.5 57.7 12.2 120 196 A F H X S+ 0 0 23 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.965 107.8 47.4 -56.0 -50.4 32.1 55.8 14.4 121 197 A H H X S+ 0 0 92 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.908 114.5 45.7 -62.3 -40.7 34.1 52.7 13.9 122 198 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.935 112.6 52.2 -64.8 -45.7 37.3 54.5 14.7 123 199 A F H X S+ 0 0 1 -4,-3.6 4,-2.9 1,-0.2 -2,-0.2 0.949 109.8 48.1 -53.0 -55.6 35.6 56.2 17.7 124 200 A N H X S+ 0 0 33 -4,-3.4 4,-3.5 2,-0.2 5,-0.3 0.913 111.6 50.6 -51.5 -48.5 34.4 52.8 19.1 125 201 A T H X S+ 0 0 42 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.970 113.1 42.9 -58.5 -57.0 37.9 51.3 18.8 126 202 A L H <>S+ 0 0 0 -4,-2.5 5,-3.7 1,-0.2 3,-0.3 0.913 116.4 51.9 -55.2 -39.6 39.7 54.0 20.5 127 203 A Y H ><5S+ 0 0 102 -4,-2.9 3,-2.2 -5,-0.3 -2,-0.2 0.937 106.1 50.0 -64.8 -48.7 36.9 54.0 23.1 128 204 A L H 3<5S+ 0 0 137 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.735 113.9 49.0 -63.2 -20.4 37.0 50.3 23.9 129 205 A L T 3<5S- 0 0 101 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.344 116.2-117.8 -98.1 4.3 40.8 50.7 24.3 130 206 A E T < 5 + 0 0 124 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.903 58.0 160.1 57.1 42.5 40.3 53.7 26.6 131 207 A K < - 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0 0 12 -3,-2.6 3,-1.2 -4,-0.3 2,-0.1 -0.552 49.6-172.4 -74.6 80.6 24.5 68.9 14.8 145 221 A D T 3 S+ 0 0 136 -2,-1.9 -35,-0.1 1,-0.2 3,-0.1 -0.510 71.0 27.1 -66.9 144.2 21.9 68.4 12.0 146 222 A G T 3 S+ 0 0 45 1,-0.2 -35,-1.3 -2,-0.1 2,-0.5 0.428 93.6 110.2 83.2 -4.1 23.1 65.8 9.5 147 223 A V S < S- 0 0 10 -3,-1.2 -1,-0.2 -37,-0.2 5,-0.1 -0.905 79.0 -99.5-103.1 136.1 25.2 63.9 12.0 148 224 A S > - 0 0 36 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.042 22.1-124.0 -52.4 155.5 23.9 60.5 12.9 149 225 A D H > S+ 0 0 142 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.855 109.7 57.1 -66.5 -37.1 22.0 60.0 16.2 150 226 A R H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 105.9 48.9 -68.0 -36.7 24.3 57.3 17.3 151 227 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 111.3 51.8 -66.8 -38.3 27.3 59.6 17.0 152 228 A V H X S+ 0 0 12 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.904 108.8 48.6 -65.6 -40.8 25.4 62.2 18.9 153 229 A S H X S+ 0 0 67 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.976 110.4 52.7 -62.8 -49.7 24.5 59.9 21.8 154 230 A R H >< S+ 0 0 81 -4,-2.3 3,-1.6 1,-0.3 4,-0.5 0.922 108.8 48.6 -50.1 -49.5 28.1 58.8 22.0 155 231 A F H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.3 -1,-0.3 0.918 108.9 55.7 -57.5 -38.6 29.3 62.3 22.3 156 232 A E H 3< S+ 0 0 77 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.643 93.7 68.0 -75.6 -7.5 26.7 62.9 24.9 157 233 A G T << S+ 0 0 67 -3,-1.6 -1,-0.3 -4,-1.0 -2,-0.2 0.626 104.3 48.7 -80.5 -12.9 28.1 60.0 27.0 158 234 A G S < S- 0 0 29 -3,-1.8 2,-0.5 -4,-0.5 -119,-0.2 0.360 107.6 -59.2 -97.9-132.4 31.2 62.1 27.6 159 235 A I E -b 39 0A 37 -121,-2.6 -119,-2.9 2,-0.0 2,-0.5 -0.984 40.2-163.0-125.2 124.1 31.8 65.6 28.7 160 236 A L E +b 40 0A 46 -2,-0.5 2,-0.4 -121,-0.2 -119,-0.2 -0.911 12.0 178.8-105.9 125.3 30.4 68.6 26.8 161 237 A V E -b 41 0A 1 -121,-2.1 -119,-1.9 -2,-0.5 2,-0.2 -0.965 20.1-143.0-134.8 122.3 31.9 72.0 27.6 162 238 A E E -b 42 0A 99 -2,-0.4 2,-0.4 -121,-0.2 -141,-0.4 -0.507 19.4-152.8 -74.3 143.8 31.1 75.4 26.0 163 239 A I + 0 0 1 -121,-3.1 -119,-0.4 -2,-0.2 2,-0.3 -0.963 14.3 179.5-125.3 138.0 34.0 77.7 25.5 164 240 A E - 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