==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION/DNA 10-MAY-12 4F43 . COMPND 2 MOLECULE: PROTELOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR K.SHI,H.AIHARA . 320 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 3.4 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 . 1 0.3 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 . 17 5.3 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 . 144 45.0 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 2 1 0 1 1 1 2 1 2 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 102 A D 0 0 62 0, 0.0 86,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 15.1 18.5 -44.0 -5.8 2 103 A Y + 0 0 218 84,-0.2 2,-0.5 1,-0.2 85,-0.0 0.937 360.0 40.1 -64.1 -48.0 20.0 -43.6 -9.3 3 104 A P + 0 0 39 0, 0.0 -1,-0.2 0, 0.0 3,-0.0 -0.919 62.9 175.3 -99.1 130.0 23.3 -42.3 -7.8 4 105 A K + 0 0 130 -2,-0.5 38,-3.3 38,-0.1 39,-0.4 0.538 66.0 55.3-102.8 -10.9 24.4 -44.0 -4.7 5 106 A T + 0 0 90 36,-0.2 2,-0.3 37,-0.1 33,-0.1 -0.931 61.8 139.9-125.2 147.5 27.7 -42.2 -4.3 6 107 A G - 0 0 15 -2,-0.3 2,-0.4 31,-0.2 77,-0.2 -0.975 31.2-141.2-174.9 163.3 28.6 -38.5 -4.2 7 108 A V - 0 0 89 75,-0.5 2,-1.4 -2,-0.3 3,-0.1 -0.977 14.6-141.3-142.6 124.9 30.7 -35.8 -2.6 8 109 A A > - 0 0 4 -2,-0.4 4,-1.8 1,-0.2 3,-0.3 -0.684 21.9-173.8 -83.3 90.6 29.7 -32.2 -1.6 9 110 A T H > S+ 0 0 63 -2,-1.4 4,-2.6 1,-0.2 5,-0.2 0.752 75.2 63.9 -61.2 -28.2 32.9 -30.5 -2.7 10 111 A S H > S+ 0 0 50 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.968 106.6 40.4 -59.9 -56.5 31.9 -27.2 -1.3 11 112 A I H > S+ 0 0 20 -3,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.917 115.7 52.4 -58.6 -47.0 31.8 -28.4 2.3 12 113 A V H X S+ 0 0 50 -4,-1.8 4,-2.6 1,-0.2 3,-0.4 0.914 111.5 45.0 -57.8 -48.2 35.0 -30.4 1.9 13 114 A E H X S+ 0 0 106 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.881 109.9 55.9 -64.3 -38.1 36.9 -27.5 0.5 14 115 A K H X S+ 0 0 59 -4,-2.4 4,-0.7 -5,-0.2 -1,-0.2 0.753 111.6 44.7 -65.2 -24.2 35.6 -25.3 3.2 15 116 A I H X S+ 0 0 28 -4,-1.3 4,-0.6 -3,-0.4 -2,-0.2 0.875 110.0 52.3 -84.0 -43.7 37.0 -27.8 5.7 16 117 A E H >< S+ 0 0 116 -4,-2.6 3,-0.5 1,-0.2 4,-0.4 0.854 111.0 49.5 -60.3 -36.3 40.3 -28.2 4.0 17 118 A R H >< S+ 0 0 143 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.868 112.1 48.0 -67.1 -37.1 40.7 -24.4 4.0 18 119 A A H 3< S+ 0 0 21 -4,-0.7 3,-0.4 1,-0.2 -2,-0.2 0.418 85.6 89.8 -88.2 1.0 39.8 -24.3 7.7 19 120 A E T << S+ 0 0 141 -4,-0.6 2,-0.5 -3,-0.5 -1,-0.2 0.863 95.5 38.1 -63.6 -35.9 42.2 -27.1 8.7 20 121 A F S < S+ 0 0 162 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.3 -0.772 81.6 144.7-121.6 86.6 44.9 -24.5 9.3 21 122 A N - 0 0 110 -2,-0.5 3,-0.1 -3,-0.4 -3,-0.1 -0.922 48.7-137.6-123.8 150.0 43.5 -21.3 10.9 22 123 A T S S- 0 0 157 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.913 82.7 -21.1 -68.3 -44.7 45.0 -18.9 13.4 23 124 A A S S+ 0 0 85 2,-0.0 -1,-0.1 0, 0.0 2,-0.1 -0.861 82.1 89.4-150.7-177.7 41.7 -18.6 15.4 24 125 A G - 0 0 69 -2,-0.3 -3,-0.1 -3,-0.1 0, 0.0 -0.395 67.8 -42.1 113.0 174.3 38.0 -19.1 15.2 25 126 A R - 0 0 235 -2,-0.1 -2,-0.0 1,-0.1 0, 0.0 -0.198 57.3-104.8 -71.0 164.9 35.2 -21.6 15.8 26 127 A K - 0 0 154 1,-0.1 2,-3.3 3,-0.0 3,-0.3 -0.845 30.7-120.0 -93.7 127.4 35.4 -25.3 14.8 27 128 A P > + 0 0 35 0, 0.0 4,-1.9 0, 0.0 5,-0.1 -0.266 53.5 154.4 -65.9 63.2 33.2 -26.1 11.7 28 129 A T H > + 0 0 85 -2,-3.3 4,-2.2 2,-0.2 5,-0.1 0.888 69.6 47.9 -60.8 -45.2 31.0 -28.6 13.6 29 130 A V H > S+ 0 0 37 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.924 111.0 50.2 -64.2 -46.5 28.0 -28.2 11.4 30 131 A L H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.861 110.8 52.0 -58.2 -36.7 30.0 -28.5 8.2 31 132 A L H X S+ 0 0 75 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.900 108.1 49.6 -66.0 -42.7 31.5 -31.7 9.7 32 133 A R H X S+ 0 0 93 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.874 112.3 48.4 -64.9 -37.5 28.1 -33.1 10.5 33 134 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.902 111.4 50.2 -66.8 -42.5 27.0 -32.4 6.9 34 135 A A H X S+ 0 0 24 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.921 112.5 45.7 -61.6 -45.8 30.2 -34.0 5.5 35 136 A D H X S+ 0 0 105 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.792 111.3 55.7 -67.5 -28.9 29.7 -37.1 7.7 36 137 A F H X S+ 0 0 2 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.972 110.2 42.1 -65.3 -56.5 26.1 -37.1 6.6 37 138 A I H X S+ 0 0 6 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.850 114.5 54.9 -58.7 -35.1 26.9 -37.2 2.9 38 139 A A H >< S+ 0 0 59 -4,-2.1 3,-1.0 -5,-0.2 -1,-0.2 0.929 109.0 45.1 -63.7 -47.5 29.6 -39.7 3.7 39 140 A A H 3< S+ 0 0 44 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.783 104.8 64.2 -68.6 -27.8 27.2 -42.1 5.4 40 141 A M H >< S+ 0 0 3 -4,-1.9 3,-1.6 -5,-0.1 2,-0.4 0.717 77.8 109.1 -67.3 -21.1 24.7 -41.6 2.5 41 142 A N T << S+ 0 0 63 -3,-1.0 -36,-0.2 -4,-0.6 -37,-0.1 -0.429 88.0 6.6 -64.9 115.1 27.2 -43.2 0.2 42 143 A G T 3 S+ 0 0 40 -38,-3.3 -1,-0.2 -2,-0.4 2,-0.2 0.296 88.9 142.9 101.1 -8.5 26.0 -46.7 -0.9 43 144 A M < + 0 0 43 -3,-1.6 -1,-0.3 -39,-0.4 3,-0.1 -0.443 15.0 161.1 -69.7 134.7 22.6 -46.6 0.7 44 145 A D + 0 0 132 -2,-0.2 2,-0.4 1,-0.0 -1,-0.2 0.456 55.4 81.5-125.6 -15.3 19.7 -48.2 -1.3 45 146 A A > - 0 0 36 1,-0.1 4,-0.7 2,-0.0 3,-0.0 -0.777 63.1-154.0 -96.7 141.3 17.2 -48.7 1.6 46 147 A K H > S+ 0 0 129 -2,-0.4 4,-2.4 2,-0.2 -1,-0.1 0.643 87.7 67.9 -91.0 -16.7 15.1 -45.7 2.6 47 148 A Q H > S+ 0 0 164 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.876 103.5 46.0 -68.3 -38.3 14.5 -46.8 6.2 48 149 A D H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.809 110.4 53.5 -74.8 -31.5 18.1 -46.2 7.0 49 150 A M H X S+ 0 0 3 -4,-0.7 4,-2.7 2,-0.2 5,-0.2 0.945 110.2 48.2 -61.0 -48.6 18.0 -42.9 5.2 50 151 A Q H X S+ 0 0 80 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.857 111.9 49.2 -60.9 -38.1 15.0 -42.0 7.4 51 152 A A H X S+ 0 0 54 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.916 110.5 50.1 -67.5 -44.3 17.0 -43.1 10.5 52 153 A L H X S+ 0 0 37 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.931 113.9 44.8 -58.8 -47.9 20.0 -41.1 9.5 53 154 A W H X S+ 0 0 9 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.811 110.4 55.5 -68.2 -30.7 17.9 -38.0 9.0 54 155 A D H X S+ 0 0 85 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.897 111.6 43.3 -68.1 -41.0 16.0 -38.6 12.2 55 156 A A H X S+ 0 0 53 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.942 113.6 50.9 -66.8 -48.0 19.3 -38.7 14.1 56 157 A E H X S+ 0 0 12 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.861 113.3 45.9 -59.2 -38.1 20.6 -35.6 12.3 57 158 A I H < S+ 0 0 60 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.894 107.0 58.4 -68.6 -41.1 17.4 -33.8 13.1 58 159 A A H < S+ 0 0 61 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.774 100.1 62.3 -60.4 -27.4 17.6 -35.0 16.7 59 160 A I H < S+ 0 0 85 -4,-1.5 2,-2.9 1,-0.2 3,-0.5 0.999 99.5 47.5 -59.4 -73.8 21.0 -33.3 16.9 60 161 A M S < S+ 0 0 21 -4,-1.1 3,-0.3 1,-0.2 -1,-0.2 -0.357 80.6 125.5 -70.6 68.7 20.0 -29.6 16.3 61 162 A N + 0 0 125 -2,-2.9 2,-0.9 -3,-0.4 -1,-0.2 0.898 59.7 49.9 -97.3 -50.2 17.2 -29.8 18.8 62 163 A G S S+ 0 0 64 -3,-0.5 2,-0.2 2,-0.0 -1,-0.2 -0.219 96.2 98.2 -88.7 46.4 17.6 -27.1 21.3 63 164 A R S S- 0 0 185 -2,-0.9 2,-0.2 -3,-0.3 -3,-0.0 -0.540 80.3 -71.9-122.4-174.6 18.0 -24.3 18.7 64 165 A A > - 0 0 48 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.548 34.6-129.3 -82.2 147.9 16.1 -21.6 16.9 65 166 A Q H > S+ 0 0 94 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.877 110.2 51.6 -64.9 -39.6 13.5 -22.6 14.3 66 167 A T H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 110.8 49.1 -61.2 -43.9 15.0 -20.2 11.7 67 168 A T H > S+ 0 0 48 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.913 110.9 50.0 -60.5 -45.8 18.4 -21.7 12.4 68 169 A I H X S+ 0 0 26 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.913 111.6 48.2 -59.5 -45.7 17.0 -25.2 12.0 69 170 A I H X S+ 0 0 32 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.926 112.0 48.7 -62.1 -46.5 15.3 -24.2 8.7 70 171 A S H X S+ 0 0 63 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.916 111.5 49.8 -59.4 -45.1 18.5 -22.6 7.3 71 172 A Y H X S+ 0 0 68 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.868 107.5 54.2 -62.4 -38.1 20.5 -25.7 8.3 72 173 A I H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.902 106.4 52.4 -62.3 -40.4 18.0 -27.9 6.6 73 174 A T H X S+ 0 0 70 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.917 108.9 51.2 -58.5 -43.2 18.5 -25.7 3.5 74 175 A K H X S+ 0 0 94 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.949 111.3 46.1 -58.0 -52.8 22.3 -26.4 3.9 75 176 A Y H X S+ 0 0 7 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.931 113.6 49.1 -55.1 -50.3 21.8 -30.2 4.1 76 177 A R H X S+ 0 0 47 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.892 111.3 48.6 -60.7 -43.4 19.4 -30.2 1.1 77 178 A N H X S+ 0 0 94 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.877 110.2 52.7 -63.2 -37.9 21.8 -28.2 -1.0 78 179 A A H X S+ 0 0 3 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.899 110.0 48.2 -63.1 -41.3 24.6 -30.5 -0.0 79 180 A I H X>S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-1.2 0.915 110.8 50.5 -64.9 -44.5 22.5 -33.5 -1.1 80 181 A R H <5S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 113.7 46.4 -60.9 -37.0 21.7 -31.8 -4.4 81 182 A E H <5S+ 0 0 83 -4,-2.1 -74,-0.2 -5,-0.2 -2,-0.2 0.898 118.5 40.0 -72.0 -41.6 25.4 -31.1 -5.0 82 183 A A H <5S+ 0 0 14 -4,-2.4 -75,-0.5 -76,-0.2 -2,-0.2 0.939 136.5 3.1 -76.6 -49.8 26.6 -34.6 -4.0 83 184 A F T <5S- 0 0 18 -4,-2.7 2,-0.3 1,-0.2 -3,-0.2 0.867 100.6-110.1-106.8 -60.0 23.9 -36.9 -5.6 84 185 A G > < - 0 0 14 -5,-1.2 3,-0.6 1,-0.1 -1,-0.2 -0.936 35.2 -64.0 152.0-172.6 21.4 -34.9 -7.6 85 186 A D T 3 S+ 0 0 101 -2,-0.3 -5,-0.1 1,-0.2 -1,-0.1 0.212 120.1 62.3 -91.8 13.9 17.8 -33.7 -7.8 86 187 A D T 3 S+ 0 0 115 -6,-0.1 -1,-0.2 -83,-0.0 -84,-0.2 0.413 71.0 118.5-118.1 -3.4 16.5 -37.3 -8.1 87 188 A H X - 0 0 2 -3,-0.6 3,-1.6 1,-0.1 4,-0.3 -0.481 63.0-137.1 -74.7 135.3 17.6 -38.7 -4.8 88 189 A P T >> S+ 0 0 26 0, 0.0 3,-1.7 0, 0.0 4,-0.6 0.703 98.2 75.4 -62.1 -22.5 14.8 -40.0 -2.4 89 190 A M H >> S+ 0 0 1 1,-0.3 4,-5.2 2,-0.2 3,-0.5 0.776 83.4 66.7 -62.2 -27.1 16.6 -38.3 0.5 90 191 A L H <4 S+ 0 0 4 -3,-1.6 -1,-0.3 1,-0.3 -14,-0.0 0.742 102.5 46.3 -65.1 -23.9 15.3 -35.0 -0.8 91 192 A K H <4 S+ 0 0 159 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.576 121.6 38.8 -91.3 -13.2 11.8 -36.2 0.1 92 193 A I H << S+ 0 0 21 -4,-0.6 2,-2.3 -3,-0.5 -2,-0.2 0.826 103.6 66.6 -99.5 -48.5 13.1 -37.4 3.5 93 194 A A S < S+ 0 0 0 -4,-5.2 2,-0.3 -5,-0.1 -1,-0.2 -0.446 81.0 110.4 -78.3 70.3 15.5 -34.6 4.4 94 195 A T - 0 0 60 -2,-2.3 2,-0.1 -3,-0.2 3,-0.1 -0.938 68.7 -94.5-139.1 163.4 12.9 -31.9 4.8 95 196 A G - 0 0 9 -2,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.352 48.3 -87.6 -77.9 156.2 11.4 -29.8 7.6 96 197 A D >> - 0 0 107 1,-0.1 3,-2.1 -2,-0.1 4,-1.1 -0.430 36.0-130.2 -59.8 131.4 8.2 -30.6 9.5 97 198 A A H 3> S+ 0 0 68 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.729 106.5 58.5 -61.2 -24.4 5.3 -29.0 7.6 98 199 A A H 3> S+ 0 0 63 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.555 99.8 59.7 -82.2 -8.8 4.0 -27.4 10.8 99 200 A M H <> S+ 0 0 16 -3,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.890 103.2 48.0 -82.9 -45.1 7.3 -25.6 11.3 100 201 A Y H X S+ 0 0 75 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.840 111.0 52.6 -64.2 -35.0 7.2 -23.7 8.0 101 202 A D H X S+ 0 0 86 -4,-1.0 4,-2.7 2,-0.2 -1,-0.2 0.890 109.2 48.2 -68.7 -41.0 3.6 -22.6 8.7 102 203 A E H X S+ 0 0 80 -4,-0.9 4,-2.7 2,-0.2 -2,-0.2 0.893 111.5 52.3 -63.9 -39.8 4.6 -21.3 12.1 103 204 A A H X S+ 0 0 38 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.944 111.3 45.0 -59.5 -51.0 7.5 -19.5 10.4 104 205 A R H X S+ 0 0 151 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.925 113.1 51.6 -58.8 -48.0 5.1 -17.9 7.8 105 206 A R H X S+ 0 0 115 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.935 111.5 46.1 -53.1 -52.9 2.6 -17.0 10.5 106 207 A V H X S+ 0 0 35 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.891 113.1 51.7 -60.1 -40.9 5.3 -15.3 12.6 107 208 A K H X S+ 0 0 108 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.978 112.5 41.6 -59.7 -60.7 6.7 -13.5 9.6 108 209 A M H X S+ 0 0 60 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.791 113.2 56.8 -60.1 -29.0 3.4 -12.0 8.4 109 210 A E H X S+ 0 0 91 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.932 107.1 47.7 -65.8 -46.6 2.6 -11.2 12.0 110 211 A K H X S+ 0 0 111 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 111.9 49.5 -59.0 -47.6 5.8 -9.2 12.3 111 212 A I H X S+ 0 0 22 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.915 109.9 52.1 -57.5 -43.8 5.0 -7.4 9.1 112 213 A A H X S+ 0 0 61 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.896 109.6 48.6 -60.1 -43.1 1.5 -6.6 10.4 113 214 A N H < S+ 0 0 99 -4,-2.4 3,-0.5 1,-0.2 4,-0.3 0.882 110.8 50.9 -63.6 -39.4 3.0 -5.2 13.6 114 215 A K H >< S+ 0 0 95 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.796 106.2 55.5 -68.8 -29.5 5.4 -3.0 11.6 115 216 A H H 3< S+ 0 0 69 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.706 106.7 49.8 -76.9 -20.4 2.6 -1.7 9.4 116 217 A G T 3< S+ 0 0 73 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.421 116.7 41.5 -96.4 -0.6 0.6 -0.5 12.5 117 218 A A S < S- 0 0 66 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 -0.536 76.9-171.1-147.8 73.8 3.6 1.3 14.0 118 219 A L - 0 0 75 -3,-0.3 2,-0.5 -2,-0.1 189,-0.2 -0.342 22.2-123.2 -68.8 147.3 5.6 3.2 11.4 119 220 A I E -a 307 0A 25 187,-2.6 189,-2.8 -5,-0.1 2,-0.9 -0.802 18.4-128.1 -96.2 129.5 9.0 4.7 12.3 120 221 A T E -a 308 0A 28 -2,-0.5 2,-1.9 187,-0.2 3,-0.2 -0.656 14.3-158.0 -81.7 105.7 9.5 8.4 11.7 121 222 A F > + 0 0 0 187,-1.6 3,-1.0 -2,-0.9 -1,-0.1 -0.545 25.8 164.5 -82.8 76.2 12.7 8.9 9.7 122 223 A E T 3 + 0 0 97 -2,-1.9 3,-0.4 1,-0.3 -1,-0.2 0.891 69.1 40.7 -65.5 -45.7 13.2 12.5 10.8 123 224 A N T 3> S+ 0 0 61 129,-0.4 4,-1.2 -3,-0.2 -1,-0.3 -0.156 75.5 123.1 -98.3 40.0 16.8 13.0 9.8 124 225 A Y H <> + 0 0 7 -3,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.820 67.1 60.3 -72.6 -31.4 16.6 11.1 6.5 125 226 A R H > S+ 0 0 162 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.884 104.0 51.6 -61.1 -39.4 17.8 14.1 4.4 126 227 A Q H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 109.6 49.6 -64.6 -39.7 21.1 14.1 6.4 127 228 A V H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.924 110.1 50.0 -65.0 -46.2 21.5 10.4 5.7 128 229 A L H X S+ 0 0 30 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.899 111.1 50.0 -57.5 -42.6 20.9 10.9 2.0 129 230 A K H X S+ 0 0 105 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.882 108.2 53.5 -63.4 -39.3 23.5 13.7 2.1 130 231 A I H X S+ 0 0 41 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.920 110.5 46.1 -62.2 -45.1 25.9 11.3 3.9 131 232 A C H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.933 110.3 53.6 -61.7 -45.8 25.5 8.7 1.2 132 233 A E H < S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.2 4,-0.2 0.817 110.3 48.1 -58.1 -32.3 25.9 11.4 -1.5 133 234 A D H >< S+ 0 0 72 -4,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.823 106.1 56.2 -77.1 -33.5 29.2 12.4 0.2 134 235 A C H >< S+ 0 0 12 -4,-1.9 3,-1.0 1,-0.3 -2,-0.2 0.708 94.4 70.4 -69.3 -20.2 30.3 8.7 0.3 135 236 A L T 3< S+ 0 0 2 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.720 100.9 45.2 -65.9 -21.8 29.8 8.7 -3.4 136 237 A K T < S+ 0 0 118 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.309 90.8 110.7-106.7 6.5 32.9 11.0 -3.8 137 238 A S < - 0 0 38 -3,-1.0 -3,-0.0 2,-0.1 0, 0.0 -0.272 65.0-138.8 -75.5 167.2 35.1 9.1 -1.3 138 239 A S S S+ 0 0 104 -2,-0.0 -1,-0.1 4,-0.0 -4,-0.0 0.489 78.5 95.1-104.5 -8.4 38.1 7.1 -2.4 139 240 A D S >> S- 0 0 72 1,-0.1 4,-2.1 -5,-0.1 3,-0.7 -0.789 70.6-146.5 -87.0 113.9 37.5 4.2 -0.1 140 241 A P H 3> S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.759 97.6 57.6 -52.6 -32.5 35.6 1.5 -2.2 141 242 A L H 3> S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.941 108.1 45.6 -62.5 -49.3 33.6 0.5 0.9 142 243 A M H <> S+ 0 0 48 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.913 111.4 51.9 -60.6 -46.0 32.3 4.0 1.4 143 244 A I H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.876 109.4 52.5 -57.2 -38.6 31.5 4.3 -2.3 144 245 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.931 109.2 47.6 -62.1 -48.3 29.6 1.1 -1.8 145 246 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.939 112.9 48.0 -57.7 -51.0 27.6 2.4 1.1 146 247 A G H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.844 110.0 53.6 -59.3 -35.3 26.7 5.6 -0.7 147 248 A L H X>S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 5,-0.8 0.882 107.7 50.2 -67.6 -39.3 25.7 3.5 -3.7 148 249 A I H X5S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.910 113.1 47.2 -62.1 -42.6 23.4 1.5 -1.6 149 250 A G H <5S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.832 121.4 35.2 -68.2 -33.1 21.9 4.7 -0.2 150 251 A M H <5S+ 0 0 2 -4,-2.0 53,-1.0 -5,-0.2 -2,-0.2 0.926 128.5 27.1 -90.9 -52.7 21.5 6.3 -3.6 151 252 A T H <5S- 0 0 0 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.669 94.0-135.8 -89.5 -18.1 20.6 3.6 -6.1 152 253 A G << + 0 0 0 -5,-0.8 -4,-0.2 -4,-0.8 -3,-0.1 0.535 49.5 146.4 80.6 7.7 19.0 1.3 -3.5 153 254 A R - 0 0 0 -6,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.376 54.6 -95.6 -74.3 157.2 20.5 -2.0 -4.7 154 255 A A > - 0 0 15 1,-0.1 4,-3.5 -2,-0.1 5,-0.2 -0.344 32.5-110.3 -71.2 152.6 21.3 -4.7 -2.1 155 256 A P H > S+ 0 0 11 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.848 120.0 49.9 -49.9 -42.1 24.9 -5.0 -0.7 156 257 A Y H >>S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 5,-0.8 0.945 114.7 43.7 -63.9 -48.3 25.5 -8.2 -2.6 157 258 A E H >>S+ 0 0 4 3,-0.2 4,-1.4 2,-0.2 5,-0.7 0.947 117.8 45.6 -59.1 -51.6 24.3 -6.7 -5.9 158 259 A V H <5S+ 0 0 0 -4,-3.5 4,-0.5 1,-0.2 -2,-0.2 0.946 121.5 33.8 -58.7 -55.3 26.2 -3.4 -5.3 159 260 A F H <5S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.789 132.5 22.7 -75.8 -29.3 29.5 -4.9 -4.2 160 261 A T H <5S+ 0 0 1 -4,-2.2 67,-1.9 -5,-0.3 -3,-0.2 0.794 130.4 8.3-112.7 -34.4 29.6 -8.1 -6.4 161 262 A Q T < S-B 172 0B 186 3,-4.0 2,-2.7 -2,-0.2 3,-0.5 -0.799 75.6 -60.2-108.0 84.4 15.2 10.2 -21.7 170 271 A G T 3 S- 0 0 78 -2,-0.7 3,-0.1 1,-0.3 4,-0.1 -0.421 126.4 -13.0 73.5 -68.5 13.9 10.3 -25.3 171 272 A K T 3 S+ 0 0 196 -2,-2.7 -1,-0.3 2,-0.1 3,-0.1 0.583 128.4 46.2-122.7 -71.3 17.4 11.2 -26.6 172 273 A G E < S-B 169 0B 46 -3,-0.5 -3,-4.0 1,-0.2 -1,-0.1 0.007 96.8 -71.9 -70.4 179.7 19.9 12.3 -23.9 173 274 A V E -B 168 0B 83 -5,-0.3 2,-0.4 1,-0.1 -1,-0.2 -0.231 48.4-108.4 -69.7 161.4 20.6 10.7 -20.6 174 275 A S E - 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0 0 31 -4,-0.9 -4,-0.1 -5,-0.5 6,-0.0 -0.326 54.8-129.2 -64.4 122.6 5.8 8.0 -8.2 278 379 A P > - 0 0 51 0, 0.0 3,-0.8 0, 0.0 8,-0.1 -0.163 19.3-117.1 -59.2 160.2 3.2 8.5 -11.0 279 380 A P T 3 S+ 0 0 132 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.640 106.6 59.3 -80.2 -14.9 -0.5 9.3 -10.1 280 381 A H T 3 S+ 0 0 160 2,-0.1 2,-0.3 0, 0.0 -3,-0.0 0.136 94.4 75.5-103.7 19.7 -2.0 6.1 -11.6 281 382 A V S < S- 0 0 44 -3,-0.8 2,-0.1 4,-0.0 -4,-0.0 -0.926 71.0-126.9-129.2 154.9 -0.0 3.5 -9.5 282 383 A T > - 0 0 82 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.416 30.6-107.1 -91.5 172.6 -0.2 2.3 -6.0 283 384 A K H > S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 119.5 50.7 -66.3 -44.3 2.7 2.1 -3.4 284 385 A N H > S+ 0 0 47 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.880 110.7 49.8 -60.2 -39.9 2.9 -1.7 -3.7 285 386 A S H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 112.5 45.1 -67.2 -46.3 3.1 -1.5 -7.5 286 387 A Y H X S+ 0 0 26 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.902 113.7 51.1 -64.9 -42.1 5.8 1.2 -7.6 287 388 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.944 111.3 47.1 -57.9 -50.1 7.8 -0.7 -4.9 288 389 A A H X>S+ 0 0 14 -4,-2.6 5,-1.4 1,-0.2 4,-0.7 0.835 113.8 50.3 -61.2 -33.3 7.6 -3.9 -6.8 289 390 A A H <5S+ 0 0 57 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.931 116.5 36.6 -72.0 -47.8 8.6 -2.1 -10.0 290 391 A I H <5S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.748 119.4 48.3 -80.8 -24.8 11.7 -0.3 -8.6 291 392 A L H <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.589 108.2-124.8 -90.8 -12.1 12.8 -3.2 -6.4 292 393 A G T <5 + 0 0 3 -4,-0.7 -99,-0.2 -5,-0.2 2,-0.2 0.989 43.2 171.6 66.8 83.1 12.5 -5.7 -9.1 293 394 A H < - 0 0 22 -5,-1.4 3,-0.1 1,-0.2 -1,-0.1 -0.555 38.9 -64.8-114.3 178.5 10.2 -8.5 -7.9 294 395 A N S > S- 0 0 86 -2,-0.2 3,-1.8 1,-0.1 -102,-0.2 -0.238 71.3 -79.9 -58.4 150.6 8.4 -11.6 -9.2 295 396 A N T 3 S+ 0 0 103 -104,-1.5 -1,-0.1 1,-0.3 3,-0.1 -0.314 114.0 1.0 -57.3 131.8 5.7 -10.9 -11.9 296 397 A N T 3 S+ 0 0 163 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.723 95.2 141.2 60.7 25.1 2.4 -9.8 -10.4 297 398 A D < + 0 0 33 -3,-1.8 -1,-0.2 1,-0.1 -4,-0.1 -0.880 11.4 152.3-102.0 116.2 3.9 -10.0 -6.9 298 399 A L + 0 0 86 -2,-0.6 4,-0.2 -3,-0.1 -1,-0.1 0.361 61.6 72.2-120.4 0.1 2.7 -7.1 -4.6 299 400 A E S > S+ 0 0 114 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.658 85.7 64.2 -92.4 -21.6 3.0 -8.8 -1.2 300 401 A T G > S+ 0 0 57 1,-0.2 3,-1.4 2,-0.2 4,-0.2 0.817 93.8 63.5 -71.4 -29.1 6.8 -8.8 -1.0 301 402 A S G > S+ 0 0 0 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.715 84.0 77.2 -66.5 -21.4 6.7 -5.0 -1.0 302 403 A L G X S+ 0 0 45 -3,-0.6 3,-0.7 1,-0.3 -1,-0.3 0.759 88.4 58.4 -59.7 -26.0 4.9 -5.2 2.3 303 404 A S G < S+ 0 0 60 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.573 100.0 57.7 -80.6 -9.9 8.2 -6.0 4.0 304 405 A Y G < S+ 0 0 22 -3,-1.9 2,-0.8 -4,-0.2 3,-0.3 0.387 84.9 86.5-102.2 2.1 9.7 -2.7 2.7 305 406 A M < + 0 0 35 -3,-0.7 -1,-0.1 -4,-0.3 3,-0.0 -0.804 46.0 110.6-108.9 92.5 7.2 -0.4 4.3 306 407 A T + 0 0 16 -2,-0.8 -187,-2.6 -187,-0.1 2,-0.3 0.417 60.7 73.5-136.8 -11.5 8.4 0.4 7.8 307 408 A Y E -a 119 0A 7 -3,-0.3 2,-0.4 -189,-0.2 -187,-0.2 -0.727 57.3-155.8-107.4 157.9 9.4 4.1 7.7 308 409 A T E -a 120 0A 26 -189,-2.8 -187,-1.6 -2,-0.3 -3,-0.0 -0.993 22.0-122.7-134.1 130.0 7.3 7.3 7.5 309 410 A L > - 0 0 0 -2,-0.4 4,-2.4 -189,-0.2 3,-0.5 -0.467 18.1-126.2 -74.4 139.7 8.6 10.6 6.1 310 411 A P H > S+ 0 0 13 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.812 109.2 52.4 -52.6 -40.9 8.5 13.7 8.4 311 412 A E H > S+ 0 0 46 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.876 109.9 47.9 -67.0 -39.3 6.6 15.8 5.9 312 413 A D H > S+ 0 0 53 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.923 110.7 51.8 -64.6 -44.8 3.9 13.1 5.5 313 414 A R H X S+ 0 0 78 -4,-2.4 4,-0.7 2,-0.2 -2,-0.2 0.844 113.0 48.2 -57.4 -35.8 3.7 12.9 9.3 314 415 A D H >< S+ 0 0 89 -4,-1.7 3,-1.3 -5,-0.2 4,-0.4 0.981 113.0 41.6 -70.7 -60.0 3.3 16.6 9.3 315 416 A N H 3< S+ 0 0 90 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.597 108.8 61.7 -70.7 -9.8 0.6 17.1 6.7 316 417 A A H >< S+ 0 0 41 -4,-1.5 3,-0.6 -5,-0.2 -1,-0.3 0.750 105.2 47.7 -79.1 -27.2 -1.3 14.1 8.1 317 418 A L T << S+ 0 0 121 -3,-1.3 -2,-0.2 -4,-0.7 -1,-0.2 0.454 91.1 82.2 -87.9 -3.5 -1.6 16.1 11.3 318 419 A A T 3 S+ 0 0 79 -4,-0.4 2,-1.4 1,-0.2 -1,-0.2 0.648 74.0 79.0 -72.5 -16.0 -2.7 19.0 9.2 319 420 A R < 0 0 203 -3,-0.6 -1,-0.2 1,-0.2 -3,-0.0 -0.509 360.0 360.0 -88.1 64.3 -6.1 17.3 9.4 320 421 A L 0 0 136 -2,-1.4 -1,-0.2 -3,-0.1 -2,-0.1 0.536 360.0 360.0-134.5 360.0 -6.8 18.6 12.9