==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-DEC-08 3FHB . COMPND 2 MOLECULE: POLY [ADP-RIBOSE] POLYMERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.LEHTIO,T.KARLBERG,C.H.ARROWSMITH,H.BERGLUND,R.BUSAM, . 357 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17411.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 16.0 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 . 2 0.6 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 . 27 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 2 1 1 1 0 1 3 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 PARALLEL BRIDGES PER LADDER . 2 0 4 0 3 0 1 1 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 . 2 1 1 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 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 1 176 A S 0 0 179 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.6 23.7 39.6 22.0 2 177 A M - 0 0 173 1,-0.0 2,-0.1 133,-0.0 132,-0.0 -0.810 360.0-132.7 -95.9 118.2 20.9 37.1 22.9 3 178 A K - 0 0 72 -2,-0.6 2,-0.4 1,-0.1 132,-0.2 -0.415 14.5-123.7 -72.5 137.9 19.8 34.9 20.0 4 179 A R E -a 135 0A 166 130,-1.5 132,-3.0 -2,-0.1 2,-0.6 -0.658 15.2-144.3 -75.3 129.1 16.1 34.4 19.2 5 180 A V E -a 136 0A 95 -2,-0.4 133,-0.1 130,-0.2 3,-0.1 -0.883 23.0-134.6 -94.3 119.9 15.0 30.7 19.2 6 181 A Q - 0 0 80 130,-2.8 132,-0.1 -2,-0.6 3,-0.1 -0.383 29.1 -89.7 -75.5 151.0 12.3 30.5 16.4 7 182 A P - 0 0 121 0, 0.0 131,-0.4 0, 0.0 2,-0.4 -0.185 50.3 -96.4 -58.2 155.8 9.0 28.6 17.0 8 183 A C - 0 0 34 1,-0.1 7,-0.0 129,-0.1 -3,-0.0 -0.602 25.5-162.4 -78.4 131.4 9.0 24.8 16.2 9 184 A S + 0 0 97 -2,-0.4 2,-0.2 129,-0.1 -1,-0.1 0.572 59.8 103.3 -83.1 -9.0 7.7 23.9 12.8 10 185 A L S S- 0 0 21 1,-0.1 -2,-0.1 2,-0.1 131,-0.1 -0.489 70.8-123.5 -89.9 140.7 7.1 20.2 13.8 11 186 A D > - 0 0 58 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.284 38.3 -99.3 -71.0 164.6 3.9 18.4 14.8 12 187 A P H > S+ 0 0 111 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.881 120.3 49.8 -55.4 -43.9 3.7 16.7 18.2 13 188 A A H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.908 112.6 47.0 -66.6 -43.0 4.5 13.2 17.1 14 189 A T H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.867 109.2 54.5 -66.9 -37.6 7.5 14.3 15.1 15 190 A Q H X S+ 0 0 62 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.935 109.4 48.2 -57.1 -45.7 8.8 16.4 18.0 16 191 A K H X S+ 0 0 63 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.913 111.7 50.2 -64.6 -44.6 8.7 13.3 20.3 17 192 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.951 111.8 45.9 -52.7 -57.8 10.4 11.2 17.7 18 193 A I H X S+ 0 0 0 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.832 113.3 51.2 -61.3 -36.0 13.3 13.6 17.2 19 194 A T H >X S+ 0 0 69 -4,-2.4 4,-0.6 -5,-0.2 3,-0.5 0.932 112.0 47.9 -62.8 -48.2 13.5 14.0 21.0 20 195 A N H >< S+ 0 0 28 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.932 110.7 47.9 -59.2 -48.0 13.7 10.2 21.4 21 196 A I H 3< S+ 0 0 1 -4,-2.8 196,-0.3 1,-0.3 -1,-0.2 0.584 120.0 37.4 -80.2 -9.3 16.3 9.5 18.7 22 197 A F H << S+ 0 0 6 -4,-0.8 -1,-0.3 -3,-0.5 2,-0.2 0.325 85.4 134.2-113.5 4.6 18.8 12.2 19.9 23 198 A S S+ 0 0 101 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.902 99.8 53.0 -56.5 -45.7 21.3 11.6 25.7 25 200 A E H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.857 106.9 51.6 -56.0 -40.9 19.5 9.3 28.2 26 201 A M H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.945 111.8 47.4 -65.5 -45.5 18.5 7.0 25.4 27 202 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 113.0 46.6 -57.5 -52.1 22.1 6.8 24.3 28 203 A K H X S+ 0 0 88 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.927 111.8 53.0 -58.9 -45.0 23.5 6.2 27.8 29 204 A N H X S+ 0 0 60 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.881 107.9 50.5 -52.6 -45.5 20.8 3.6 28.3 30 205 A T H X S+ 0 0 3 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.912 111.0 49.2 -65.5 -39.9 21.9 1.9 25.1 31 206 A M H ><>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 3,-1.3 0.965 112.3 46.6 -64.0 -48.2 25.5 1.9 26.3 32 207 A A H ><5S+ 0 0 60 -4,-3.3 3,-1.2 1,-0.3 -1,-0.2 0.823 108.5 57.0 -60.0 -33.2 24.6 0.5 29.8 33 208 A L H 3<5S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.688 106.9 49.3 -70.3 -20.5 22.5 -2.2 28.0 34 209 A M T <<5S- 0 0 28 -3,-1.3 -1,-0.2 -4,-0.8 -2,-0.2 0.151 122.0-108.0-102.5 14.5 25.6 -3.2 26.1 35 210 A D T < 5 + 0 0 69 -3,-1.2 54,-2.8 1,-0.2 -3,-0.2 0.659 68.0 152.8 68.5 17.8 27.7 -3.4 29.3 36 211 A L B < -B 88 0B 4 -5,-2.5 2,-1.2 52,-0.3 52,-0.3 -0.535 51.1-122.2 -79.9 144.4 29.6 -0.3 28.4 37 212 A D > - 0 0 16 50,-2.6 4,-1.5 -2,-0.2 3,-0.5 -0.758 27.6-174.5 -91.7 95.2 31.0 1.8 31.2 38 213 A V T 4 S+ 0 0 37 -2,-1.2 -1,-0.2 1,-0.2 5,-0.1 0.687 79.2 60.9 -64.4 -22.2 29.4 5.1 30.6 39 214 A K T 4 S+ 0 0 115 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.902 114.0 33.5 -75.0 -41.2 31.3 6.8 33.4 40 215 A K T 4 S+ 0 0 139 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.607 129.5 39.7 -82.7 -16.4 34.7 6.0 31.8 41 216 A M S < S+ 0 0 2 -4,-1.5 -1,-0.2 46,-0.1 -2,-0.1 -0.569 80.3 179.1-136.2 68.7 33.3 6.4 28.2 42 217 A P >> - 0 0 51 0, 0.0 3,-2.4 0, 0.0 4,-1.2 -0.363 40.9-106.3 -80.3 158.5 30.8 9.4 28.2 43 218 A L T 34 S+ 0 0 18 1,-0.3 3,-0.4 2,-0.2 78,-0.1 0.807 118.2 49.1 -51.6 -42.4 28.9 10.6 25.1 44 219 A G T 34 S+ 0 0 80 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.529 111.2 49.2 -77.6 -10.0 31.0 13.7 24.6 45 220 A K T <4 S+ 0 0 145 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.549 82.6 117.3-100.0 -14.3 34.3 11.8 24.9 46 221 A L < - 0 0 14 -4,-1.2 2,-0.3 -3,-0.4 3,-0.1 -0.300 47.4-174.7 -57.7 129.8 33.2 9.1 22.4 47 222 A S > - 0 0 37 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.966 41.3-130.0-137.8 151.1 35.5 9.3 19.3 48 223 A K H > S+ 0 0 125 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.865 111.3 55.5 -61.8 -39.4 36.0 7.8 15.9 49 224 A Q H > S+ 0 0 148 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 108.6 48.0 -55.0 -43.4 39.7 7.0 16.7 50 225 A Q H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.941 111.2 47.6 -73.0 -47.4 38.7 5.0 19.7 51 226 A I H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.893 111.5 53.8 -57.0 -41.0 36.0 3.0 18.0 52 227 A A H X S+ 0 0 46 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.876 108.4 48.3 -60.2 -40.2 38.6 2.4 15.3 53 228 A R H X S+ 0 0 110 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.925 108.6 54.9 -67.3 -44.6 41.1 1.1 17.9 54 229 A G H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.917 107.4 49.7 -49.6 -49.3 38.3 -1.1 19.4 55 230 A F H X S+ 0 0 26 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.914 110.1 49.8 -62.7 -43.4 37.8 -2.8 15.9 56 231 A E H X S+ 0 0 120 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.893 108.6 52.8 -60.4 -39.0 41.5 -3.4 15.5 57 232 A A H X S+ 0 0 7 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.927 111.8 47.2 -61.9 -41.3 41.6 -5.0 19.0 58 233 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.884 108.5 54.0 -62.3 -44.6 38.7 -7.2 17.8 59 234 A E H X S+ 0 0 81 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.916 106.1 52.9 -54.8 -46.6 40.5 -8.0 14.5 60 235 A A H X S+ 0 0 43 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.869 109.8 49.8 -57.7 -37.6 43.5 -9.1 16.6 61 236 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.847 107.6 52.6 -68.7 -38.1 41.1 -11.4 18.5 62 237 A E H X S+ 0 0 78 -4,-2.0 4,-3.0 2,-0.2 5,-0.3 0.903 107.7 50.5 -69.7 -42.9 39.6 -12.9 15.3 63 238 A E H X S+ 0 0 91 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.948 110.3 53.3 -53.5 -46.8 43.0 -13.8 14.0 64 239 A A H < S+ 0 0 35 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.906 117.2 34.6 -56.3 -49.3 43.6 -15.4 17.4 65 240 A L H < S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.958 123.4 42.4 -70.2 -54.1 40.5 -17.6 17.3 66 241 A K H < S+ 0 0 89 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.477 111.3 71.0 -77.0 -4.7 40.4 -18.3 13.5 67 242 A G S < S- 0 0 33 -4,-1.3 2,-0.2 -5,-0.3 -3,-0.0 -0.365 88.2-106.8 -93.1-179.0 44.2 -18.9 13.6 68 243 A P - 0 0 105 0, 0.0 2,-2.2 0, 0.0 -1,-0.1 -0.556 48.3 -76.4 -99.0 174.8 46.1 -21.8 15.1 69 244 A T + 0 0 153 -2,-0.2 2,-0.1 2,-0.1 -5,-0.0 -0.457 69.9 149.9 -74.3 71.0 48.2 -21.9 18.3 70 245 A D S S- 0 0 114 -2,-2.2 -3,-0.0 1,-0.0 0, 0.0 -0.075 71.2 -75.7 -74.1-165.6 51.3 -20.1 17.0 71 246 A G S S+ 0 0 87 -2,-0.1 3,-0.1 3,-0.0 -2,-0.1 0.275 88.5 133.0 -83.7 16.0 53.2 -18.1 19.7 72 247 A G - 0 0 50 1,-0.2 2,-0.1 -8,-0.1 -3,-0.0 0.145 66.1 -71.9 -65.4 176.8 50.8 -15.2 19.7 73 248 A Q - 0 0 123 1,-0.1 -1,-0.2 2,-0.1 0, 0.0 -0.388 56.8-106.4 -64.0 142.2 49.1 -13.4 22.7 74 249 A S > - 0 0 52 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.194 25.2-110.9 -62.5 166.0 46.5 -15.4 24.5 75 250 A L H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 23,-0.4 0.831 118.9 59.4 -65.6 -32.4 42.7 -14.6 24.2 76 251 A E H > S+ 0 0 156 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.970 108.5 40.4 -61.6 -56.3 42.9 -13.4 27.8 77 252 A E H > S+ 0 0 104 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.898 117.0 49.7 -62.2 -38.9 45.6 -10.7 27.1 78 253 A L H X S+ 0 0 16 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.848 111.0 49.1 -69.1 -35.6 43.9 -9.7 23.8 79 254 A S H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.919 108.7 55.0 -64.1 -45.4 40.5 -9.4 25.5 80 255 A S H X S+ 0 0 71 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.838 105.9 50.4 -58.5 -38.2 42.1 -7.3 28.2 81 256 A H H >X S+ 0 0 81 -4,-1.7 4,-1.9 2,-0.2 3,-0.8 0.932 109.6 51.1 -66.3 -44.7 43.5 -4.9 25.6 82 257 A F H 3X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -2,-0.2 0.938 108.1 52.2 -53.8 -48.1 40.0 -4.6 24.0 83 258 A Y H 3< S+ 0 0 26 -4,-2.8 5,-0.4 1,-0.2 -1,-0.2 0.672 107.2 53.6 -68.7 -14.5 38.5 -3.8 27.4 84 259 A T H << S+ 0 0 102 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.863 114.3 40.1 -78.5 -42.2 41.2 -1.1 27.9 85 260 A V H < S+ 0 0 5 -4,-1.9 -2,-0.2 1,-0.3 -31,-0.2 0.866 128.5 32.2 -75.3 -41.1 40.3 0.6 24.7 86 261 A I S < S- 0 0 0 -4,-3.2 -1,-0.3 -5,-0.2 2,-0.2 -0.847 90.9-144.5-116.1 92.9 36.5 0.1 25.1 87 262 A P - 0 0 20 0, 0.0 -50,-2.6 0, 0.0 2,-0.3 -0.392 18.7-167.9 -64.5 122.3 35.8 0.3 28.9 88 263 A H B -B 36 0B 18 -5,-0.4 2,-0.5 -52,-0.3 -52,-0.3 -0.752 12.9-142.7-106.2 154.8 33.1 -2.1 30.0 89 264 A N + 0 0 59 -54,-2.8 5,-0.1 -2,-0.3 -51,-0.1 -0.988 26.5 162.1-120.0 125.7 31.2 -2.3 33.3 90 265 A F S > S- 0 0 60 -2,-0.5 3,-0.7 3,-0.3 -1,-0.0 -0.479 82.6 -71.5-130.9 57.9 30.3 -5.6 34.8 91 266 A G T 3 S- 0 0 56 1,-0.2 3,-0.1 2,-0.0 -2,-0.1 0.893 93.3 -60.3 48.4 43.4 29.6 -4.5 38.4 92 267 A H T 3 S+ 0 0 170 1,-0.2 2,-0.3 -4,-0.1 -1,-0.2 0.863 106.8 126.1 53.3 41.8 33.4 -4.0 38.8 93 268 A S S < S- 0 0 82 -3,-0.7 -3,-0.3 0, 0.0 -1,-0.2 -0.803 75.4 -82.0-111.8 164.1 34.3 -7.7 38.1 94 269 A Q - 0 0 94 -2,-0.3 -5,-0.1 -3,-0.1 0, 0.0 -0.515 52.5-117.1 -66.5 126.1 36.8 -8.8 35.5 95 270 A P - 0 0 45 0, 0.0 -1,-0.1 0, 0.0 -12,-0.0 -0.198 36.6 -94.5 -62.6 161.0 35.0 -8.8 32.0 96 271 A P - 0 0 55 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.490 38.9-102.5 -84.7 147.0 34.8 -12.2 30.3 97 272 A P - 0 0 56 0, 0.0 2,-1.1 0, 0.0 -21,-0.1 -0.424 26.7-126.6 -66.6 135.2 37.3 -13.4 27.7 98 273 A I + 0 0 0 -23,-0.4 -20,-0.1 1,-0.1 -19,-0.0 -0.724 55.7 145.3 -83.3 98.7 36.1 -13.1 24.0 99 274 A N + 0 0 85 -2,-1.1 -1,-0.1 -34,-0.0 3,-0.1 -0.013 44.6 54.4-138.7 26.5 36.8 -16.7 23.2 100 275 A S S > S- 0 0 28 1,-0.1 4,-2.2 0, 0.0 5,-0.1 -0.967 81.4-112.8-154.2 157.5 34.1 -17.9 20.7 101 276 A P H > S+ 0 0 89 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.932 116.5 57.0 -61.4 -39.2 32.9 -16.6 17.3 102 277 A E H > S+ 0 0 141 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.893 109.7 44.0 -56.2 -46.1 29.5 -15.8 18.9 103 278 A L H > S+ 0 0 50 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.892 111.8 54.2 -67.6 -39.3 31.1 -13.5 21.5 104 279 A L H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.950 111.3 43.5 -61.6 -51.3 33.4 -11.9 18.8 105 280 A Q H X S+ 0 0 47 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.891 109.0 59.0 -63.8 -38.5 30.5 -11.0 16.6 106 281 A A H X S+ 0 0 49 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.900 108.9 45.1 -56.0 -37.8 28.5 -9.7 19.6 107 282 A K H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.852 110.6 52.4 -78.9 -33.8 31.3 -7.3 20.3 108 283 A K H X S+ 0 0 14 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.929 109.4 50.9 -58.5 -44.6 31.5 -6.2 16.7 109 284 A D H X S+ 0 0 70 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.867 109.2 50.9 -65.5 -37.5 27.8 -5.5 16.7 110 285 A M H X S+ 0 0 10 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.928 108.9 49.5 -60.0 -51.1 28.2 -3.4 19.8 111 286 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.798 108.5 55.8 -65.4 -26.5 31.0 -1.4 18.3 112 287 A L H X S+ 0 0 27 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.884 109.8 44.7 -71.2 -38.8 28.7 -0.9 15.2 113 288 A V H X S+ 0 0 22 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.954 113.1 50.7 -67.3 -47.2 25.9 0.5 17.5 114 289 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.3 -2,-0.2 0.861 106.1 55.7 -58.4 -40.7 28.4 2.7 19.3 115 290 A A H X S+ 0 0 21 -4,-1.9 4,-2.3 2,-0.2 -1,-0.3 0.913 108.3 48.6 -54.6 -44.1 29.8 4.0 16.0 116 291 A D H X S+ 0 0 17 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.828 109.4 51.8 -71.8 -29.7 26.2 5.1 15.2 117 292 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.887 110.3 48.6 -65.3 -41.7 25.9 6.8 18.6 118 293 A E H X S+ 0 0 22 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.884 107.3 57.3 -65.5 -37.5 29.1 8.7 17.9 119 294 A L H X S+ 0 0 36 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.937 106.7 47.6 -54.5 -52.2 27.7 9.6 14.5 120 295 A A H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.929 113.2 48.5 -56.1 -47.7 24.6 11.2 16.1 121 296 A Q H < S+ 0 0 37 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.911 112.0 48.9 -60.2 -42.3 26.9 13.1 18.6 122 297 A A H >< S+ 0 0 44 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.878 107.3 56.3 -63.5 -40.0 29.1 14.3 15.7 123 298 A L H 3< S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.820 103.3 55.1 -63.2 -30.8 26.1 15.4 13.8 124 299 A Q T 3< S+ 0 0 30 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.545 76.3 123.0 -84.4 -10.5 25.0 17.6 16.6 125 300 A A < - 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