==== 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 09-MAY-12 4F41 . COMPND 2 MOLECULE: PROTELOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR K.SHI,H.AIHARA . 319 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 68.0 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 . 1 0.3 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 . 16 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 2 1 3 0 1 1 2 2 1 0 0 0 1 0 1 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 1 103 A Y 0 0 123 0, 0.0 2,-0.2 0, 0.0 85,-0.1 0.000 360.0 360.0 360.0 75.7 19.4 -41.3 -8.8 2 104 A P - 0 0 53 0, 0.0 80,-0.0 0, 0.0 3,-0.0 -0.501 360.0-155.2 -80.6 157.7 23.2 -41.6 -8.1 3 105 A K S S+ 0 0 120 -2,-0.2 38,-2.3 37,-0.1 39,-0.3 0.440 76.7 64.5-105.6 -6.9 24.5 -43.4 -5.0 4 106 A T + 0 0 102 36,-0.2 2,-0.2 37,-0.1 36,-0.0 -0.841 57.8 112.5-122.2 153.9 27.7 -41.5 -5.2 5 107 A G - 0 0 19 -2,-0.3 2,-0.4 31,-0.1 77,-0.2 -0.727 39.0-133.0 156.2 155.7 28.7 -37.8 -4.8 6 108 A V - 0 0 84 75,-0.4 2,-1.5 74,-0.2 3,-0.1 -0.995 21.5-126.9-136.6 131.0 30.5 -35.2 -2.8 7 109 A A > - 0 0 2 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 -0.604 32.6-173.6 -73.0 91.8 29.5 -31.8 -1.6 8 110 A T H > S+ 0 0 67 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.902 74.1 51.2 -58.6 -51.2 32.6 -30.0 -2.9 9 111 A S H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 109.8 50.1 -58.0 -42.5 32.0 -26.5 -1.5 10 112 A I H > S+ 0 0 17 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.940 111.9 46.6 -62.3 -48.9 31.4 -27.7 2.1 11 113 A V H X S+ 0 0 47 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.845 111.3 53.6 -63.4 -34.1 34.6 -29.9 2.1 12 114 A E H X S+ 0 0 101 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.891 108.2 48.8 -66.2 -40.3 36.5 -26.9 0.6 13 115 A K H < S+ 0 0 60 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.735 112.7 51.0 -70.5 -22.5 35.2 -24.7 3.4 14 116 A I H >X S+ 0 0 19 -4,-1.4 3,-1.7 -5,-0.2 4,-0.6 0.931 110.2 45.3 -76.6 -50.4 36.4 -27.5 5.8 15 117 A E H 3< S+ 0 0 116 -4,-2.7 4,-0.4 1,-0.3 3,-0.3 0.746 109.8 56.8 -67.7 -24.3 39.9 -27.8 4.5 16 118 A R T 3< S+ 0 0 134 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.302 105.0 55.5 -86.3 9.0 40.3 -24.1 4.4 17 119 A A T X4 S+ 0 0 20 -3,-1.7 3,-0.9 3,-0.1 -2,-0.2 0.544 84.9 77.0-115.9 -14.4 39.5 -24.0 8.1 18 120 A E T 3< S+ 0 0 158 -4,-0.6 2,-0.3 -3,-0.3 -2,-0.1 0.894 98.4 44.6 -68.1 -41.2 42.1 -26.4 9.5 19 121 A F T 3 S+ 0 0 170 -4,-0.4 2,-0.3 3,-0.0 -1,-0.3 -0.318 83.8 137.8 -99.7 50.9 44.9 -23.9 9.3 20 122 A N < - 0 0 91 -3,-0.9 3,-0.1 -2,-0.3 -3,-0.1 -0.691 52.8-141.7 -88.4 148.0 43.0 -21.0 10.8 21 123 A T S S- 0 0 155 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.886 78.9 -18.5 -74.4 -39.9 44.6 -18.7 13.3 22 124 A A S S+ 0 0 81 2,-0.1 -1,-0.2 -3,-0.1 2,-0.1 -0.881 84.4 86.7-151.9-179.2 41.4 -18.3 15.3 23 125 A G S S- 0 0 69 -2,-0.3 -3,-0.1 -3,-0.1 0, 0.0 -0.194 70.6 -41.7 107.3 165.1 37.7 -18.7 15.2 24 126 A R - 0 0 227 1,-0.1 -2,-0.1 -2,-0.1 0, 0.0 -0.101 60.0-103.8 -59.1 158.5 35.0 -21.3 15.8 25 127 A K - 0 0 160 1,-0.1 2,-3.3 3,-0.0 3,-0.3 -0.738 32.4-116.2 -84.1 133.6 35.2 -24.9 14.5 26 128 A P > + 0 0 31 0, 0.0 4,-1.5 0, 0.0 5,-0.1 -0.272 57.6 153.3 -67.7 62.5 33.1 -25.6 11.4 27 129 A T H > + 0 0 79 -2,-3.3 4,-2.1 1,-0.2 5,-0.1 0.839 66.8 49.9 -65.9 -38.3 31.0 -28.1 13.3 28 130 A V H > S+ 0 0 32 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.918 111.0 48.5 -67.0 -44.8 27.9 -27.6 11.2 29 131 A L H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.793 111.0 52.7 -66.2 -27.7 29.8 -28.1 7.9 30 132 A L H X S+ 0 0 71 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.903 107.3 51.4 -68.5 -43.6 31.3 -31.2 9.6 31 133 A R H X S+ 0 0 86 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.940 113.7 44.3 -55.8 -49.7 27.8 -32.4 10.4 32 134 A I H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.875 112.4 51.9 -64.7 -40.9 26.8 -31.9 6.7 33 135 A A H X S+ 0 0 22 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.935 112.2 44.5 -62.7 -48.6 30.0 -33.5 5.4 34 136 A D H X S+ 0 0 96 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.808 112.6 55.6 -65.5 -30.5 29.6 -36.6 7.5 35 137 A F H X S+ 0 0 3 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.978 110.2 41.7 -63.1 -58.4 26.0 -36.6 6.4 36 138 A I H X S+ 0 0 5 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.848 114.7 54.0 -58.3 -36.2 26.7 -36.6 2.7 37 139 A A H >< S+ 0 0 59 -4,-2.3 3,-1.0 -5,-0.2 -1,-0.2 0.912 108.3 48.1 -64.4 -43.4 29.5 -39.2 3.4 38 140 A A H 3< S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.765 104.3 62.2 -68.7 -25.6 27.0 -41.5 5.1 39 141 A M H >< S+ 0 0 1 -4,-1.6 3,-1.8 -5,-0.1 2,-0.4 0.680 77.7 110.3 -72.9 -18.0 24.6 -41.1 2.2 40 142 A N T << S+ 0 0 64 -3,-1.0 -36,-0.2 -4,-0.6 3,-0.1 -0.450 90.7 5.2 -65.5 116.1 27.1 -42.6 -0.1 41 143 A G T 3 S+ 0 0 51 -38,-2.3 2,-0.3 -2,-0.4 -1,-0.3 0.337 94.7 142.3 94.6 -5.4 25.9 -46.0 -1.2 42 144 A M < + 0 0 43 -3,-1.8 -1,-0.3 -39,-0.3 3,-0.0 -0.522 12.5 148.8 -74.7 130.1 22.6 -45.7 0.5 43 145 A D + 0 0 120 -2,-0.3 2,-1.1 -3,-0.1 -1,-0.2 0.279 45.6 105.2-132.7 -2.8 19.5 -47.1 -1.2 44 146 A A > - 0 0 35 1,-0.2 4,-1.9 2,-0.1 3,-0.4 -0.723 53.0-166.4 -84.0 99.8 17.6 -48.0 2.0 45 147 A K H > S+ 0 0 140 -2,-1.1 4,-2.3 1,-0.3 -1,-0.2 0.834 87.6 55.2 -56.6 -36.5 15.0 -45.3 2.3 46 148 A Q H > S+ 0 0 165 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.898 108.1 47.7 -63.6 -42.3 14.3 -46.2 5.9 47 149 A D H > S+ 0 0 88 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.811 109.0 54.6 -69.8 -31.1 18.0 -45.8 6.8 48 150 A M H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.928 108.5 49.0 -62.9 -45.9 17.9 -42.4 5.0 49 151 A Q H X S+ 0 0 78 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.857 110.7 50.9 -60.8 -36.9 15.0 -41.5 7.2 50 152 A A H X S+ 0 0 53 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.896 109.3 50.3 -67.8 -41.8 17.0 -42.6 10.2 51 153 A L H X S+ 0 0 35 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.943 112.9 45.5 -60.9 -49.1 20.0 -40.5 9.2 52 154 A W H X S+ 0 0 7 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.803 109.8 55.5 -65.7 -29.8 17.8 -37.4 8.8 53 155 A D H X S+ 0 0 83 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.859 108.6 48.4 -70.4 -34.0 16.1 -38.2 12.1 54 156 A A H X S+ 0 0 47 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.959 112.3 47.9 -64.9 -53.0 19.6 -38.2 13.7 55 157 A E H X S+ 0 0 2 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.847 114.1 46.6 -56.4 -39.1 20.5 -34.9 12.0 56 158 A I H < S+ 0 0 58 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 107.3 57.5 -70.2 -40.1 17.2 -33.4 13.1 57 159 A A H < S+ 0 0 64 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.808 101.5 58.4 -60.0 -30.7 17.7 -34.7 16.6 58 160 A I H < S+ 0 0 88 -4,-1.7 2,-1.5 1,-0.2 -1,-0.2 0.938 93.1 69.2 -64.0 -47.8 20.9 -32.8 16.6 59 161 A M < + 0 0 15 -4,-1.2 2,-0.3 -3,-0.1 -1,-0.2 -0.595 70.0 136.1 -74.3 92.8 19.2 -29.5 16.0 60 162 A N + 0 0 138 -2,-1.5 3,-0.1 1,-0.0 -3,-0.0 -0.920 64.2 18.7-147.4 118.0 17.4 -29.1 19.3 61 163 A G S S+ 0 0 68 1,-0.5 2,-0.2 -2,-0.3 -2,-0.1 0.207 96.5 121.3 103.1 -10.6 17.2 -25.9 21.4 62 164 A R S S- 0 0 162 1,-0.1 -1,-0.5 2,-0.1 5,-0.0 -0.558 74.3 -92.2 -83.4 150.6 18.1 -24.0 18.2 63 165 A A > - 0 0 52 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.225 29.4-120.6 -61.0 150.6 15.7 -21.3 16.9 64 166 A Q H > S+ 0 0 102 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.905 115.6 50.8 -59.9 -43.7 13.2 -22.4 14.2 65 167 A T H > S+ 0 0 91 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.908 110.5 50.0 -58.4 -44.8 14.6 -19.9 11.7 66 168 A T H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.916 110.1 49.8 -59.8 -46.6 18.1 -21.4 12.4 67 169 A I H X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.903 110.6 50.6 -59.8 -42.8 16.8 -24.9 11.9 68 170 A I H X S+ 0 0 30 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.924 110.9 48.2 -61.4 -46.3 15.2 -23.9 8.6 69 171 A S H X S+ 0 0 64 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 111.3 50.2 -59.8 -46.3 18.4 -22.3 7.4 70 172 A Y H X S+ 0 0 61 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.916 108.8 52.3 -58.5 -44.9 20.4 -25.3 8.4 71 173 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.890 107.0 53.5 -58.6 -40.5 17.9 -27.5 6.5 72 174 A T H X S+ 0 0 67 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 108.6 49.6 -58.3 -46.1 18.4 -25.3 3.5 73 175 A K H X S+ 0 0 102 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 111.6 48.4 -57.3 -49.0 22.2 -25.9 3.8 74 176 A Y H X S+ 0 0 6 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.923 112.1 48.3 -57.3 -48.8 21.7 -29.6 4.0 75 177 A R H X S+ 0 0 47 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.893 111.4 49.7 -62.5 -42.0 19.4 -29.7 1.0 76 178 A N H X S+ 0 0 93 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.856 110.8 51.2 -64.6 -34.5 21.7 -27.6 -1.1 77 179 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.911 109.8 48.8 -66.8 -43.9 24.6 -30.0 -0.2 78 180 A I H X>S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-1.4 0.897 112.2 49.3 -62.2 -41.5 22.5 -33.0 -1.2 79 181 A R H <5S+ 0 0 100 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.869 111.9 49.3 -64.4 -37.3 21.7 -31.3 -4.5 80 182 A E H <5S+ 0 0 84 -4,-1.9 -74,-0.2 -5,-0.2 -2,-0.2 0.888 119.8 35.9 -69.0 -39.5 25.4 -30.5 -5.0 81 183 A A H <5S+ 0 0 15 -4,-2.4 -75,-0.4 -76,-0.2 -2,-0.2 0.942 137.1 9.6 -81.5 -51.5 26.5 -34.0 -4.3 82 184 A F T <5S- 0 0 11 -4,-2.7 2,-0.2 1,-0.2 -3,-0.2 0.793 102.2-118.9-105.3 -36.5 23.9 -36.3 -5.7 83 185 A G > < - 0 0 22 -5,-1.4 3,-0.6 1,-0.1 -1,-0.2 -0.671 34.4 -63.0 123.2-177.3 21.6 -34.0 -7.8 84 186 A D T 3 S+ 0 0 107 1,-0.2 -1,-0.1 -2,-0.2 -5,-0.1 0.647 120.5 64.9 -82.5 -16.4 17.9 -32.9 -7.9 85 187 A D T 3 S+ 0 0 133 -3,-0.2 -1,-0.2 -6,-0.1 -2,-0.0 -0.022 73.8 120.6 -99.4 30.3 16.6 -36.4 -8.6 86 188 A H X - 0 0 7 -3,-0.6 3,-1.7 1,-0.1 4,-0.3 -0.830 62.4-138.8-100.9 132.8 17.6 -37.9 -5.3 87 189 A P G > S+ 0 0 34 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.740 97.5 72.6 -57.8 -28.2 14.9 -39.3 -2.9 88 190 A M G >> S+ 0 0 0 1,-0.3 4,-4.3 2,-0.2 3,-1.5 0.778 83.8 68.5 -60.5 -28.3 16.6 -37.8 0.1 89 191 A L G <4 S+ 0 0 11 -3,-1.7 -1,-0.3 1,-0.3 -14,-0.0 0.735 100.0 49.0 -63.0 -23.4 15.4 -34.4 -1.0 90 192 A K G <4 S+ 0 0 189 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.461 119.9 37.8 -93.0 -3.5 11.9 -35.6 -0.2 91 193 A I T <4 S+ 0 0 20 -3,-1.5 2,-2.3 -4,-0.3 -2,-0.2 0.754 102.0 68.8-109.2 -46.0 13.0 -36.8 3.2 92 194 A A S < S+ 0 0 0 -4,-4.3 2,-0.3 -5,-0.1 -1,-0.1 -0.417 81.3 101.7 -79.4 67.1 15.5 -34.1 4.3 93 195 A T S S- 0 0 56 -2,-2.3 2,-0.1 -3,-0.1 3,-0.1 -0.977 73.5 -97.6-145.4 158.4 13.0 -31.3 4.8 94 196 A G - 0 0 11 -2,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.362 45.8 -96.2 -75.0 154.7 11.2 -29.7 7.7 95 197 A D >> - 0 0 102 1,-0.1 3,-1.3 -2,-0.1 4,-1.1 -0.380 34.5-113.9 -69.7 150.8 7.7 -30.6 8.8 96 198 A A H 3> S+ 0 0 67 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.777 111.7 64.1 -59.2 -31.6 4.9 -28.4 7.5 97 199 A A H 3> S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.842 99.9 53.8 -62.3 -34.1 4.0 -27.0 10.9 98 200 A M H <> S+ 0 0 13 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.937 112.1 42.4 -65.8 -48.1 7.5 -25.3 11.1 99 201 A Y H X S+ 0 0 73 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.893 114.8 50.3 -66.4 -41.8 7.1 -23.5 7.8 100 202 A D H X S+ 0 0 87 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.908 111.9 48.3 -62.9 -42.5 3.5 -22.5 8.5 101 203 A E H X S+ 0 0 89 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.906 110.8 51.0 -63.0 -43.0 4.5 -21.2 11.9 102 204 A A H X S+ 0 0 34 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 110.9 48.3 -60.2 -44.4 7.4 -19.3 10.3 103 205 A R H X S+ 0 0 140 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.908 110.5 51.9 -61.4 -43.9 5.0 -17.8 7.8 104 206 A R H X S+ 0 0 110 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.910 110.7 47.7 -58.7 -45.1 2.6 -16.8 10.5 105 207 A V H X S+ 0 0 40 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.910 111.8 50.3 -63.2 -44.4 5.3 -15.1 12.5 106 208 A K H X S+ 0 0 113 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.955 112.5 45.6 -57.9 -53.5 6.5 -13.2 9.4 107 209 A M H X S+ 0 0 103 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.873 112.4 52.6 -58.4 -40.1 3.0 -12.0 8.5 108 210 A E H X S+ 0 0 89 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.928 110.5 47.0 -61.5 -47.3 2.5 -11.0 12.2 109 211 A K H X S+ 0 0 124 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.923 112.9 48.3 -61.2 -47.3 5.7 -9.0 12.2 110 212 A I H X S+ 0 0 22 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.911 111.4 51.0 -60.9 -42.8 4.9 -7.2 9.0 111 213 A A H X S+ 0 0 58 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.925 110.0 49.4 -59.5 -46.6 1.4 -6.5 10.2 112 214 A N H X S+ 0 0 102 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.877 110.1 51.7 -60.3 -38.8 2.8 -5.0 13.4 113 215 A K H < S+ 0 0 69 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.897 110.0 48.1 -65.2 -41.5 5.2 -2.9 11.4 114 216 A H H < S+ 0 0 74 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.780 110.6 53.5 -68.5 -26.4 2.4 -1.6 9.2 115 217 A G H < S+ 0 0 70 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.663 119.9 31.7 -80.7 -17.6 0.4 -0.8 12.4 116 218 A A S < S- 0 0 69 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.1 -0.599 79.4-167.8-143.6 76.8 3.3 1.2 13.9 117 219 A L - 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0 0 11 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 -0.074 36.4-127.4 -40.6 137.4 15.4 6.8 14.3 254 356 A K T 3 S+ 0 0 190 1,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.732 101.6 67.5 -66.4 -23.5 15.7 6.0 18.1 255 357 A E T 3 S+ 0 0 107 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.846 108.0 26.1 -68.3 -35.8 13.5 2.9 17.8 256 358 A E S < S- 0 0 43 -3,-0.7 -1,-0.1 3,-0.0 -4,-0.0 -0.894 79.0-112.9-130.1 157.0 16.0 0.9 15.7 257 359 A L - 0 0 110 -2,-0.3 2,-0.6 1,-0.1 -8,-0.1 -0.660 48.9 -92.7 -85.9 145.5 19.8 0.7 15.2 258 360 A P + 0 0 9 0, 0.0 -10,-0.1 0, 0.0 -1,-0.1 -0.439 49.0 179.9 -65.0 108.2 21.1 1.6 11.7 259 361 A K >> - 0 0 105 -2,-0.6 3,-1.1 1,-0.1 4,-0.6 -0.866 34.4-122.6-106.9 146.6 21.3 -1.5 9.5 260 362 A P T >4 S+ 0 0 22 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.879 109.3 56.8 -51.7 -48.3 22.5 -1.4 5.8 261 363 A Y T >> S+ 0 0 83 1,-0.3 4,-1.6 2,-0.2 3,-1.2 0.737 92.7 71.6 -62.6 -23.0 19.3 -2.9 4.3 262 364 A G H <> S+ 0 0 8 -3,-1.1 4,-2.3 1,-0.3 5,-0.3 0.889 86.1 65.7 -55.5 -39.9 17.4 -0.1 5.9 263 365 A L H S+ 0 0 5 -3,-1.2 4,-2.3 -4,-0.4 -1,-0.2 0.970 110.5 47.6 -70.5 -56.1 17.0 0.2 0.8 265 367 A H H X S+ 0 0 27 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.950 114.4 45.5 -45.3 -69.7 13.7 0.5 2.7 266 368 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.4 0.867 109.2 58.6 -38.0 -51.3 14.1 4.3 3.2 267 369 A Y H X S+ 0 0 0 -4,-1.6 4,-3.4 -5,-0.3 5,-0.3 0.939 105.1 47.9 -47.2 -62.5 15.1 4.6 -0.5 268 370 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-0.2 0.888 109.9 54.9 -44.1 -52.3 11.8 3.1 -1.7 269 371 A E H >X S+ 0 0 5 -4,-2.0 4,-1.2 1,-0.2 3,-0.9 0.943 115.5 35.2 -50.1 -59.4 9.9 5.4 0.6 270 372 A V H 3X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.830 113.0 60.9 -70.6 -26.4 11.5 8.6 -0.8 271 373 A A H 3X S+ 0 0 0 -4,-3.4 4,-0.7 -5,-0.4 5,-0.3 0.789 108.7 44.4 -68.1 -25.2 11.6 7.1 -4.2 272 374 A Y H << S+ 0 0 81 -4,-1.9 4,-0.4 -3,-0.9 -1,-0.3 0.708 111.1 55.6 -85.5 -22.1 7.8 6.9 -3.9 273 375 A H H < S+ 0 0 67 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.715 119.9 25.4 -84.7 -21.7 7.7 10.4 -2.5 274 376 A N H < S+ 0 0 93 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.476 131.8 25.6-122.7 -6.3 9.5 12.2 -5.3 275 377 A F S < S+ 0 0 69 -4,-0.7 -3,-0.2 -5,-0.2 -2,-0.1 0.563 78.7 120.4-135.3 -18.9 9.0 10.1 -8.5 276 378 A A - 0 0 31 -4,-0.4 -4,-0.1 -5,-0.3 6,-0.1 -0.359 55.4-132.9 -66.9 125.9 5.8 8.0 -8.3 277 379 A P > - 0 0 45 0, 0.0 3,-0.9 0, 0.0 8,-0.1 -0.320 19.1-118.7 -68.6 158.2 3.2 8.6 -11.0 278 380 A P T 3 S+ 0 0 135 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.637 105.2 65.7 -76.8 -15.3 -0.5 9.0 -9.9 279 381 A H T 3 S+ 0 0 159 2,-0.1 2,-0.3 0, 0.0 -3,-0.0 0.239 93.5 72.5 -94.6 13.7 -1.8 6.0 -11.8 280 382 A V S < S- 0 0 40 -3,-0.9 2,-0.2 3,-0.0 -4,-0.0 -0.889 76.6-118.7-126.7 159.0 0.1 3.4 -9.8 281 383 A T > - 0 0 89 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.617 25.7-119.1 -92.2 153.1 -0.1 2.0 -6.3 282 384 A K H > S+ 0 0 48 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.871 118.6 51.0 -57.2 -38.9 2.7 2.3 -3.6 283 385 A N H > S+ 0 0 43 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 111.1 47.7 -62.5 -45.4 2.9 -1.5 -3.6 284 386 A S H > S+ 0 0 51 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.883 113.3 47.5 -63.9 -40.7 3.1 -1.6 -7.4 285 387 A Y H X S+ 0 0 28 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.907 112.5 48.6 -69.7 -42.8 5.8 1.1 -7.4 286 388 A F H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.948 113.0 47.9 -58.1 -49.5 7.8 -0.6 -4.7 287 389 A A H <>S+ 0 0 14 -4,-2.6 5,-1.7 1,-0.2 4,-0.4 0.724 113.8 50.5 -65.1 -21.7 7.6 -3.9 -6.6 288 390 A A H <5S+ 0 0 49 -4,-1.0 3,-0.4 3,-0.2 -2,-0.2 0.926 114.7 37.6 -81.3 -49.5 8.6 -2.0 -9.7 289 391 A I H <5S+ 0 0 6 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.1 0.583 116.3 53.5 -82.8 -10.2 11.7 -0.2 -8.5 290 392 A L T <5S- 0 0 0 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.589 108.4-121.6 -97.0 -14.4 12.9 -3.1 -6.3 291 393 A G T 5 + 0 0 4 -4,-0.4 -99,-0.5 -3,-0.4 -3,-0.2 0.869 48.2 172.8 77.6 39.6 12.7 -5.6 -9.2 292 394 A H < - 0 0 20 -5,-1.7 3,-0.1 -6,-0.2 -1,-0.1 -0.144 39.0 -71.2 -74.7 172.7 10.3 -8.0 -7.5 293 395 A N > - 0 0 81 1,-0.1 3,-1.7 -102,-0.1 -102,-0.2 -0.181 64.8 -79.8 -61.6 155.0 8.6 -11.0 -9.2 294 396 A N T 3 S+ 0 0 100 -104,-1.7 -1,-0.1 1,-0.3 3,-0.1 -0.311 113.0 1.2 -58.1 135.2 5.9 -10.6 -11.8 295 397 A N T 3 S+ 0 0 156 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.644 98.1 137.7 58.6 19.4 2.5 -9.8 -10.5 296 398 A D < + 0 0 37 -3,-1.7 -1,-0.2 1,-0.1 -4,-0.1 -0.845 17.1 154.1-100.9 126.3 3.8 -9.8 -6.9 297 399 A L + 0 0 92 -2,-0.5 4,-0.2 -3,-0.1 -1,-0.1 0.300 62.0 78.1-125.2 2.0 2.7 -7.1 -4.5 298 400 A E S > S+ 0 0 129 1,-0.2 3,-0.6 2,-0.2 4,-0.2 0.752 85.8 57.7 -88.7 -27.1 3.2 -9.0 -1.2 299 401 A T G > S+ 0 0 56 1,-0.2 3,-1.6 2,-0.2 4,-0.3 0.825 97.1 64.3 -71.2 -31.0 7.0 -8.6 -1.0 300 402 A S G >> S+ 0 0 0 1,-0.3 3,-1.1 2,-0.2 4,-0.6 0.710 87.2 72.5 -64.4 -20.8 6.6 -4.8 -1.1 301 403 A L G <4 S+ 0 0 54 -3,-0.6 3,-0.3 1,-0.2 -1,-0.3 0.746 90.5 58.6 -64.9 -24.7 4.7 -5.2 2.2 302 404 A S G <4 S+ 0 0 36 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.620 100.7 55.2 -82.0 -14.0 8.1 -5.9 3.9 303 405 A Y T <4 S+ 0 0 16 -3,-1.1 2,-1.8 -4,-0.3 3,-0.5 0.589 80.0 92.7 -96.9 -13.1 9.7 -2.6 2.9 304 406 A M < + 0 0 22 -4,-0.6 -1,-0.1 -3,-0.3 3,-0.0 -0.576 46.8 119.1 -83.3 79.6 7.0 -0.3 4.3 305 407 A T + 0 0 13 -2,-1.8 -187,-2.3 -43,-0.1 -1,-0.2 0.625 62.4 52.2-114.8 -24.7 8.7 0.3 7.7 306 408 A Y E -a 118 0A 5 -3,-0.5 2,-0.3 -189,-0.2 -187,-0.2 -0.601 58.2-155.1-110.4 170.6 9.2 4.0 7.7 307 409 A T E -a 119 0A 27 -189,-1.8 -187,-1.8 -2,-0.2 -41,-0.0 -0.973 26.5-115.9-144.9 135.3 7.2 7.2 7.1 308 410 A L > - 0 0 0 -2,-0.3 4,-2.1 -189,-0.2 3,-0.3 -0.436 19.8-127.8 -72.3 141.8 8.6 10.6 6.0 309 411 A P H > S+ 0 0 15 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.793 108.7 56.9 -60.1 -31.2 8.2 13.5 8.5 310 412 A E H > S+ 0 0 32 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 108.5 45.0 -66.0 -45.3 6.6 15.7 5.8 311 413 A D H > S+ 0 0 57 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.879 111.3 55.0 -62.8 -38.4 3.8 13.1 5.3 312 414 A R H X S+ 0 0 68 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.877 110.0 46.0 -61.4 -39.8 3.6 12.8 9.1 313 415 A D H X S+ 0 0 80 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.892 110.6 51.9 -69.7 -41.3 3.0 16.6 9.2 314 416 A N H < S+ 0 0 97 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.617 113.9 45.2 -72.3 -12.8 0.5 16.5 6.4 315 417 A A H >< S+ 0 0 61 -4,-0.9 3,-0.8 -3,-0.2 -1,-0.2 0.687 109.1 54.1 -98.5 -27.2 -1.4 13.8 8.3 316 418 A L H 3< S+ 0 0 121 -4,-1.6 -2,-0.2 1,-0.2 -3,-0.2 0.750 93.7 73.5 -72.5 -24.7 -1.2 15.5 11.6 317 419 A A T 3< + 0 0 76 -4,-1.4 2,-1.6 -5,-0.1 -1,-0.2 0.451 65.0 115.7 -72.2 0.7 -2.7 18.6 10.0 318 420 A R < 0 0 194 -3,-0.8 -1,-0.1 0, 0.0 -3,-0.0 -0.561 360.0 360.0 -75.7 88.2 -6.1 16.8 10.0 319 421 A L 0 0 211 -2,-1.6 -2,-0.1 0, 0.0 -3,-0.0 -0.502 360.0 360.0-140.4 360.0 -8.1 19.0 12.3