==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-OCT-04 1XSN . COMPND 2 MOLECULE: 5'-D(*CP*GP*GP*CP*AP*AP*TP*AP*CP*TP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.GARCIA-DIAZ,K.BEBENEK,J.M.KRAHN,T.A.KUNKEL,L.C.PEDERSEN . 324 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16765.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.2 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 . 1 0.3 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 . 16 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 1 0 2 3 2 1 0 0 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 0 3 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 252 A H 0 0 217 0, 0.0 2,-0.3 0, 0.0 35,-0.1 0.000 360.0 360.0 360.0 8.0 30.3 12.7 27.3 2 253 A N + 0 0 75 1,-0.1 4,-0.2 38,-0.0 36,-0.1 -0.986 360.0 75.8-175.6-174.0 30.7 8.9 27.2 3 254 A L > - 0 0 19 -2,-0.3 3,-3.2 1,-0.1 4,-0.2 0.925 37.3-155.2 49.2 76.5 30.0 5.2 26.5 4 255 A H T > S+ 0 0 88 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.479 84.6 90.1 -52.5 1.1 30.5 4.3 22.9 5 256 A I T >> S+ 0 0 21 1,-0.2 4,-0.9 2,-0.2 3,-0.7 0.771 78.9 64.4 -67.4 -22.7 28.1 1.5 23.6 6 257 A T H <> S+ 0 0 26 -3,-3.2 4,-4.0 1,-0.2 5,-0.3 0.816 85.8 67.0 -68.7 -32.7 25.6 4.1 22.5 7 258 A E H <> S+ 0 0 59 -3,-0.6 4,-0.9 1,-0.3 -1,-0.2 0.793 102.3 49.7 -60.9 -25.2 27.0 4.2 19.0 8 259 A K H <> S+ 0 0 24 -3,-0.7 4,-1.0 -4,-0.5 -1,-0.3 0.825 114.5 43.3 -80.3 -32.3 25.6 0.7 18.7 9 260 A L H X S+ 0 0 5 -4,-0.9 4,-3.0 2,-0.2 -2,-0.2 0.863 105.8 61.3 -78.8 -37.7 22.2 1.9 20.0 10 261 A E H X S+ 0 0 103 -4,-4.0 4,-2.4 1,-0.2 5,-0.2 0.867 101.4 55.8 -56.0 -37.2 22.2 5.1 17.9 11 262 A V H X S+ 0 0 64 -4,-0.9 4,-1.8 -5,-0.3 -1,-0.2 0.932 110.3 43.3 -61.9 -46.8 22.3 2.7 14.9 12 263 A L H X S+ 0 0 4 -4,-1.0 4,-2.9 2,-0.2 5,-0.3 0.927 111.4 54.4 -64.8 -44.9 19.1 1.0 16.1 13 264 A A H X S+ 0 0 7 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.907 110.9 45.6 -55.2 -45.3 17.4 4.2 17.0 14 265 A K H X S+ 0 0 83 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.855 111.1 53.9 -67.6 -35.8 18.0 5.6 13.5 15 266 A A H X S+ 0 0 3 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.941 111.6 43.5 -64.1 -48.5 16.8 2.3 12.0 16 267 A Y H <>S+ 0 0 32 -4,-2.9 5,-2.2 2,-0.2 4,-0.4 0.869 113.3 54.8 -64.9 -36.0 13.5 2.4 13.9 17 268 A S H ><5S+ 0 0 69 -4,-2.1 3,-1.6 -5,-0.3 -2,-0.2 0.963 109.7 42.5 -63.2 -52.6 13.2 6.1 13.1 18 269 A V H 3<5S+ 0 0 12 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.777 112.3 56.7 -66.8 -24.4 13.5 5.8 9.3 19 270 A Q T 3<5S- 0 0 66 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.521 118.6-112.4 -83.1 -6.4 11.2 2.7 9.4 20 271 A G T < 5S+ 0 0 34 -3,-1.6 2,-2.3 -4,-0.4 3,-0.2 0.482 76.8 131.1 92.5 -0.1 8.5 4.7 11.2 21 272 A D >< + 0 0 62 -5,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.494 30.9 167.1 -83.8 71.8 8.5 3.1 14.6 22 273 A K H > + 0 0 114 -2,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.823 64.8 48.6 -59.4 -42.1 8.6 6.5 16.1 23 274 A W H > S+ 0 0 169 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.897 112.4 48.7 -68.1 -40.0 7.8 5.8 19.7 24 275 A R H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.936 111.8 50.1 -63.7 -44.8 10.4 2.9 19.9 25 276 A A H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.845 107.9 53.6 -61.8 -35.2 13.0 5.2 18.4 26 277 A L H X S+ 0 0 30 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.904 106.0 53.8 -65.6 -41.0 12.1 7.9 20.9 27 278 A G H X S+ 0 0 37 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.912 111.3 44.2 -59.2 -44.0 12.7 5.3 23.7 28 279 A Y H X S+ 0 0 15 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.900 109.9 57.4 -67.9 -38.9 16.2 4.5 22.3 29 280 A A H X S+ 0 0 26 -4,-2.4 4,-3.9 1,-0.2 -2,-0.2 0.940 109.5 43.5 -55.7 -51.2 16.8 8.2 21.9 30 281 A K H < S+ 0 0 124 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.861 111.9 53.6 -64.2 -36.8 16.2 8.9 25.6 31 282 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 3,-0.3 0.897 118.2 36.6 -64.3 -40.0 18.2 5.9 26.6 32 283 A I H X S+ 0 0 16 -4,-2.6 4,-0.7 2,-0.2 -2,-0.2 0.893 111.8 57.8 -76.7 -43.4 21.1 7.2 24.6 33 284 A N H < S+ 0 0 58 -4,-3.9 4,-0.4 -5,-0.3 -1,-0.2 0.496 115.6 42.2 -65.1 -2.9 20.4 10.8 25.4 34 285 A A H > S+ 0 0 17 -3,-0.3 4,-0.9 -5,-0.2 -2,-0.2 0.760 100.4 62.8-109.5 -48.4 20.8 9.5 29.0 35 286 A L H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.559 109.4 49.2 -57.8 -5.4 23.8 7.2 28.8 36 287 A K T < S+ 0 0 28 -4,-0.7 -1,-0.2 -35,-0.1 -2,-0.1 0.856 104.2 50.4 -99.0 -50.1 25.7 10.3 27.8 37 288 A S T 4 S+ 0 0 102 -4,-0.4 -2,-0.2 -5,-0.2 -3,-0.1 0.498 100.1 93.9 -68.1 -2.8 24.7 12.9 30.5 38 289 A F S < S- 0 0 62 -4,-0.9 -3,-0.1 1,-0.1 13,-0.0 -0.087 73.0-139.9 -78.1-176.0 25.7 10.1 32.8 39 290 A H + 0 0 146 1,-0.3 -1,-0.1 -37,-0.0 3,-0.0 0.793 67.3 37.1-116.5 -48.6 29.2 9.8 34.4 40 291 A K S S- 0 0 34 -38,-0.1 -1,-0.3 1,-0.1 -38,-0.0 -0.819 86.4 -94.4-113.2 148.6 30.7 6.3 34.6 41 292 A P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.305 44.7-114.0 -58.4 142.4 30.5 3.3 32.2 42 293 A V + 0 0 8 1,-0.1 3,-0.1 -7,-0.1 6,-0.0 -0.677 39.9 170.7 -80.1 125.8 27.7 1.0 33.2 43 294 A T + 0 0 99 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.494 56.7 55.8-113.2 -6.7 29.2 -2.3 34.3 44 295 A S S > S- 0 0 51 1,-0.1 4,-1.0 0, 0.0 -1,-0.1 -0.970 70.3-133.2-133.7 146.6 26.1 -4.1 35.7 45 296 A Y H > S+ 0 0 104 -2,-0.3 4,-1.7 1,-0.3 3,-0.2 0.852 114.9 44.6 -59.5 -40.0 22.6 -5.0 34.5 46 297 A Q H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.724 105.9 61.9 -77.3 -22.4 21.1 -3.6 37.7 47 298 A E H 4 S+ 0 0 36 2,-0.2 4,-0.3 1,-0.1 -2,-0.2 0.746 104.5 50.2 -74.9 -20.3 23.3 -0.6 37.4 48 299 A A H >< S+ 0 0 2 -4,-1.0 3,-3.7 -3,-0.2 6,-0.3 0.975 102.8 55.7 -76.4 -63.7 21.5 0.0 34.1 49 300 A C H 3< S+ 0 0 58 -4,-1.7 4,-0.2 1,-0.3 -2,-0.2 0.742 100.1 65.3 -38.9 -30.4 18.0 -0.2 35.4 50 301 A S T 3< S+ 0 0 84 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.738 81.9 90.0 -69.4 -25.3 19.0 2.5 37.9 51 302 A I S X S- 0 0 9 -3,-3.7 3,-2.4 -4,-0.3 2,-0.6 -0.621 88.1-116.5 -78.6 125.8 19.5 5.1 35.2 52 303 A P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.460 104.3 29.3 -64.6 108.3 16.3 7.1 34.4 53 304 A G T 3 S+ 0 0 48 -2,-0.6 2,-0.4 1,-0.4 -22,-0.1 0.180 100.9 95.2 125.8 -13.6 15.5 6.2 30.8 54 305 A I < - 0 0 13 -3,-2.4 -1,-0.4 -6,-0.3 2,-0.2 -0.907 51.2-178.8-110.8 136.9 17.0 2.7 30.8 55 306 A G > - 0 0 34 -2,-0.4 4,-3.4 -3,-0.1 5,-0.2 -0.604 45.7 -84.7-123.5-174.3 14.8 -0.4 31.4 56 307 A K H > S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.869 127.2 49.5 -59.6 -39.3 15.2 -4.1 31.6 57 308 A R H > S+ 0 0 190 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.920 116.3 41.8 -67.0 -43.4 14.8 -4.5 27.9 58 309 A M H >> S+ 0 0 20 1,-0.2 4,-1.4 2,-0.2 3,-0.8 0.894 110.9 56.4 -70.9 -41.6 17.5 -1.8 27.2 59 310 A A H 3X S+ 0 0 1 -4,-3.4 4,-1.2 1,-0.3 3,-0.5 0.905 101.3 57.0 -57.3 -44.5 19.8 -3.1 30.0 60 311 A E H 3X S+ 0 0 113 -4,-1.9 4,-0.6 1,-0.3 -1,-0.3 0.789 109.6 46.6 -58.8 -27.5 19.9 -6.6 28.4 61 312 A K H << S+ 0 0 43 -3,-0.8 4,-0.5 -4,-0.6 -1,-0.3 0.720 107.3 56.4 -85.9 -22.9 21.2 -4.9 25.3 62 313 A I H < S+ 0 0 9 -4,-1.4 4,-0.3 -3,-0.5 -2,-0.2 0.641 106.0 52.5 -81.3 -14.3 23.7 -2.8 27.2 63 314 A I H X S+ 0 0 37 -4,-1.2 4,-2.7 -5,-0.2 5,-0.4 0.692 103.0 55.9 -91.7 -23.9 25.1 -6.1 28.6 64 315 A E T < S+ 0 0 65 -4,-0.6 6,-2.0 1,-0.2 -2,-0.2 0.644 105.4 53.5 -81.9 -15.6 25.6 -7.7 25.2 65 316 A I T 4 S+ 0 0 21 -4,-0.5 -1,-0.2 4,-0.3 -2,-0.2 0.660 122.6 28.3 -91.0 -17.9 27.7 -4.8 24.2 66 317 A L T 4 S+ 0 0 94 -4,-0.3 -2,-0.2 3,-0.1 -3,-0.1 0.826 125.5 41.9-104.4 -55.7 30.0 -5.1 27.2 67 318 A E S < S+ 0 0 90 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.732 139.0 17.6 -65.8 -23.3 29.8 -8.8 28.1 68 319 A S S S- 0 0 88 -5,-0.4 -3,-0.2 -4,-0.1 -1,-0.2 0.599 93.5-133.8-120.2 -25.6 30.1 -9.6 24.3 69 320 A G S S+ 0 0 55 -6,-0.2 2,-0.3 1,-0.1 -4,-0.3 0.701 80.2 67.0 76.3 18.5 31.3 -6.4 22.8 70 321 A H S S- 0 0 119 -6,-2.0 2,-0.7 -62,-0.0 -1,-0.1 -0.926 73.7-131.1-168.3 142.6 28.7 -6.6 20.1 71 322 A L > - 0 0 3 -2,-0.3 3,-1.2 1,-0.1 4,-0.4 -0.881 10.0-160.8-103.8 111.8 25.0 -6.3 19.7 72 323 A R G > S+ 0 0 48 -2,-0.7 3,-0.9 1,-0.3 4,-0.2 0.687 85.1 74.2 -62.5 -20.1 23.5 -9.2 17.6 73 324 A K G > S+ 0 0 77 1,-0.2 3,-1.8 2,-0.2 -1,-0.3 0.870 87.7 60.6 -61.9 -36.9 20.4 -7.1 16.9 74 325 A L G X S+ 0 0 41 -3,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.767 92.7 66.8 -61.8 -26.8 22.3 -4.9 14.5 75 326 A D G < S+ 0 0 73 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.570 101.4 48.7 -72.1 -9.1 23.0 -8.0 12.3 76 327 A H G < S+ 0 0 160 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.2 0.164 76.1 132.4-117.2 18.3 19.3 -8.3 11.5 77 328 A I < - 0 0 46 -3,-1.2 -3,-0.0 1,-0.1 -65,-0.0 -0.533 69.4 -96.4 -71.9 132.6 18.6 -4.7 10.5 78 329 A S > - 0 0 51 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 -0.165 21.1-131.3 -51.8 136.9 16.7 -4.5 7.2 79 330 A E T 3 S+ 0 0 168 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.647 105.3 69.1 -63.8 -14.3 18.8 -4.0 4.2 80 331 A S T 3> S+ 0 0 13 1,-0.2 4,-2.6 2,-0.1 3,-0.3 0.705 76.6 83.6 -78.7 -19.7 16.3 -1.2 3.3 81 332 A V H <> S+ 0 0 12 -3,-1.8 4,-2.8 1,-0.2 5,-0.3 0.889 86.2 50.7 -52.9 -51.5 17.4 1.0 6.1 82 333 A P H > S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.895 115.2 45.4 -55.7 -40.1 20.4 2.7 4.4 83 334 A V H > S+ 0 0 24 -4,-0.4 4,-2.7 -3,-0.3 -2,-0.2 0.886 111.1 51.7 -70.4 -39.7 18.1 3.5 1.5 84 335 A L H X S+ 0 0 6 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.901 111.9 47.7 -64.0 -38.7 15.3 4.7 3.7 85 336 A E H X S+ 0 0 53 -4,-2.8 4,-0.7 2,-0.2 -2,-0.2 0.904 110.0 52.6 -66.6 -41.8 17.7 7.0 5.5 86 337 A L H >< S+ 0 0 53 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.949 114.6 42.2 -58.2 -49.1 19.1 8.2 2.1 87 338 A F H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.877 110.4 54.4 -67.1 -42.1 15.6 9.1 1.0 88 339 A S H 3< S+ 0 0 30 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.544 93.8 71.3 -73.6 -5.9 14.3 10.7 4.2 89 340 A N T << S+ 0 0 64 -4,-0.7 2,-0.5 -3,-0.7 -1,-0.3 0.387 74.6 101.8 -86.2 2.7 17.3 13.0 4.2 90 341 A I S X S- 0 0 1 -3,-1.6 3,-2.3 3,-0.1 2,-0.2 -0.780 89.8-110.8 -83.6 125.4 15.6 14.8 1.3 91 342 A W T 3 S+ 0 0 60 -2,-0.5 34,-0.5 1,-0.3 35,-0.2 -0.423 105.0 23.0 -59.5 122.6 13.9 17.9 2.8 92 343 A G T 3 S+ 0 0 35 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.337 102.6 99.6 102.1 -9.1 10.2 17.3 2.6 93 344 A A < + 0 0 11 -3,-2.3 -1,-0.3 -5,-0.2 2,-0.2 -0.940 46.5 170.8-112.8 136.3 10.4 13.6 2.5 94 345 A G > - 0 0 35 -2,-0.4 4,-2.6 -3,-0.1 5,-0.2 -0.437 54.1 -64.4-123.1-161.4 9.8 11.6 5.7 95 346 A T H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.896 129.1 53.1 -58.8 -43.0 9.4 7.9 6.6 96 347 A K H > S+ 0 0 166 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.927 114.2 41.2 -61.3 -45.3 6.1 7.5 4.7 97 348 A T H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 114.4 51.7 -69.5 -42.3 7.5 8.9 1.5 98 349 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.927 111.2 47.8 -59.2 -45.3 10.8 7.0 1.8 99 350 A Q H X S+ 0 0 76 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.876 111.5 50.7 -64.5 -37.5 9.0 3.7 2.4 100 351 A M H X S+ 0 0 84 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.944 110.7 48.0 -65.3 -47.1 6.7 4.4 -0.6 101 352 A W H <>S+ 0 0 1 -4,-2.7 5,-2.3 1,-0.2 -1,-0.2 0.868 112.5 49.8 -60.9 -37.5 9.7 5.1 -2.9 102 353 A Y H ><5S+ 0 0 43 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 0.915 109.3 50.5 -67.7 -42.7 11.4 2.0 -1.7 103 354 A Q H 3<5S+ 0 0 153 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.853 104.5 59.9 -64.6 -30.4 8.3 -0.1 -2.3 104 355 A Q T 3<5S- 0 0 94 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.408 126.4-101.4 -78.7 4.2 8.2 1.4 -5.8 105 356 A G T < 5S+ 0 0 43 -3,-1.8 -3,-0.2 1,-0.3 2,-0.1 0.374 73.3 145.0 95.0 -3.8 11.6 -0.1 -6.5 106 357 A F < + 0 0 19 -5,-2.3 -1,-0.3 -6,-0.2 3,-0.1 -0.438 12.0 161.0 -72.5 140.6 13.7 3.1 -6.0 107 358 A R + 0 0 103 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.495 56.5 37.4-134.6 -12.9 17.1 2.6 -4.4 108 359 A S S > S- 0 0 40 1,-0.1 4,-2.2 -22,-0.0 -1,-0.2 -0.918 78.5-110.3-140.5 165.5 19.2 5.7 -5.2 109 360 A L H > S+ 0 0 39 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.798 120.0 60.1 -66.4 -27.0 18.9 9.4 -5.6 110 361 A E H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.920 105.1 48.9 -64.2 -41.5 19.4 8.9 -9.3 111 362 A D H >>S+ 0 0 42 2,-0.2 4,-2.6 1,-0.2 5,-0.9 0.940 112.9 47.2 -60.5 -47.6 16.3 6.7 -9.2 112 363 A I H X5S+ 0 0 0 -4,-2.2 4,-1.1 3,-0.2 -2,-0.2 0.955 112.3 50.2 -59.2 -49.9 14.5 9.5 -7.3 113 364 A R H <5S+ 0 0 152 -4,-3.4 -2,-0.2 1,-0.2 -1,-0.2 0.914 120.4 32.8 -55.5 -49.9 15.7 12.2 -9.7 114 365 A S H <5S+ 0 0 61 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.765 134.9 15.4 -83.6 -26.3 14.6 10.4 -12.9 115 366 A Q H <5S+ 0 0 128 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.693 94.7 94.1-123.8 -24.3 11.5 8.5 -11.9 116 367 A A S < - 0 0 69 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.388 39.3-101.0 -76.3 167.3 6.6 17.7 -4.4 120 371 A T H > S+ 0 0 115 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.898 124.8 49.3 -57.2 -41.6 7.9 21.2 -4.9 121 372 A Q H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.914 109.9 50.4 -64.3 -44.1 9.6 21.1 -1.5 122 373 A Q H > S+ 0 0 9 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.819 105.4 56.3 -65.6 -32.7 11.3 17.7 -2.2 123 374 A A H X S+ 0 0 47 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.878 110.5 46.0 -65.7 -36.3 12.6 18.9 -5.6 124 375 A I H X S+ 0 0 18 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.910 111.7 51.6 -70.9 -41.8 14.3 21.8 -3.7 125 376 A G H < S+ 0 0 1 -4,-2.4 3,-0.3 -34,-0.5 7,-0.2 0.901 111.1 46.7 -61.6 -42.1 15.6 19.4 -1.1 126 377 A L H >< S+ 0 0 32 -4,-2.5 3,-1.8 1,-0.2 4,-0.2 0.921 107.1 57.7 -67.0 -39.9 17.1 17.1 -3.7 127 378 A K H 3< S+ 0 0 131 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.786 119.3 31.3 -60.5 -28.4 18.6 20.0 -5.5 128 379 A H T 3X S+ 0 0 5 -4,-1.3 4,-3.0 -3,-0.3 -1,-0.3 -0.001 81.3 134.2-118.6 27.3 20.5 20.9 -2.3 129 380 A Y T <4 S+ 0 0 28 -3,-1.8 4,-0.5 1,-0.2 -1,-0.1 0.884 75.7 38.8 -45.2 -56.5 20.9 17.4 -0.9 130 381 A S T >> S+ 0 0 82 -4,-0.2 3,-1.5 1,-0.2 4,-0.7 0.942 116.1 51.7 -63.0 -48.3 24.6 17.7 0.1 131 382 A D G >4 S+ 0 0 16 1,-0.3 3,-1.2 2,-0.2 -2,-0.2 0.901 106.0 54.9 -56.5 -42.6 24.3 21.3 1.3 132 383 A F G 3< S+ 0 0 21 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.592 104.4 55.1 -69.7 -8.3 21.3 20.4 3.5 133 384 A L G <4 S+ 0 0 84 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.621 96.2 85.6 -95.7 -13.8 23.4 17.7 5.2 134 385 A E << - 0 0 117 -3,-1.2 2,-0.3 -4,-0.7 -3,-0.0 -0.517 68.5-142.0 -89.3 153.4 26.2 20.1 6.1 135 386 A R - 0 0 123 -2,-0.2 40,-0.2 101,-0.1 41,-0.1 -0.835 18.2-134.6-110.1 148.5 26.4 22.3 9.2 136 387 A M E -A 174 0A 1 38,-3.2 38,-2.7 -2,-0.3 2,-0.1 -0.696 25.2-100.3-102.5 158.6 27.8 25.8 8.9 137 388 A P E >> -A 173 0A 55 0, 0.0 3,-1.5 0, 0.0 4,-1.2 -0.518 35.3-117.4 -72.5 147.2 30.3 27.5 11.3 138 389 A R H 3> S+ 0 0 59 34,-2.7 4,-1.9 1,-0.3 5,-0.1 0.795 113.2 69.6 -57.6 -23.2 28.5 29.8 13.7 139 390 A E H 3> S+ 0 0 119 33,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.878 100.3 45.4 -59.7 -40.0 30.5 32.6 12.2 140 391 A E H <> S+ 0 0 10 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.822 107.4 58.2 -72.9 -32.8 28.5 32.2 8.9 141 392 A A H X S+ 0 0 0 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.854 103.2 54.1 -65.0 -35.1 25.2 32.0 10.9 142 393 A T H X S+ 0 0 48 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.956 107.8 49.9 -63.4 -45.9 26.1 35.4 12.3 143 394 A E H X S+ 0 0 76 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.865 112.4 47.3 -58.8 -40.9 26.5 36.8 8.8 144 395 A I H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.940 111.8 48.9 -68.8 -46.5 23.1 35.3 7.8 145 396 A E H X S+ 0 0 13 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.914 112.6 49.6 -59.8 -38.4 21.3 36.7 10.9 146 397 A Q H X S+ 0 0 99 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.832 106.5 55.4 -69.4 -31.5 22.9 40.1 10.2 147 398 A T H X S+ 0 0 27 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.2 0.873 112.8 41.7 -67.6 -38.5 21.8 40.0 6.6 148 399 A V H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.910 114.7 51.0 -74.8 -43.0 18.2 39.4 7.7 149 400 A Q H X S+ 0 0 42 -4,-2.6 4,-3.3 -5,-0.2 5,-0.3 0.904 109.5 50.3 -60.9 -44.1 18.3 42.0 10.5 150 401 A K H X S+ 0 0 163 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.908 112.2 47.0 -61.6 -43.1 19.7 44.7 8.2 151 402 A A H < S+ 0 0 4 -4,-1.4 4,-0.5 -5,-0.2 -1,-0.2 0.774 116.6 46.0 -70.1 -26.6 17.0 44.1 5.7 152 403 A A H >X S+ 0 0 0 -4,-1.7 3,-1.5 2,-0.2 4,-0.5 0.955 112.0 46.0 -79.6 -56.8 14.4 44.1 8.5 153 404 A Q H 3< S+ 0 0 70 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.616 98.6 79.7 -62.5 -8.7 15.6 47.2 10.4 154 405 A A T 3< S+ 0 0 78 -4,-0.6 -1,-0.3 -5,-0.3 3,-0.2 0.889 104.8 27.3 -66.6 -40.5 15.8 48.8 6.9 155 406 A F T <4 S+ 0 0 56 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.320 143.0 16.3-104.7 8.5 12.0 49.4 6.8 156 407 A N >< - 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0 0 4 -4,-1.9 2,-0.2 -3,-0.2 -1,-0.1 -0.296 68.5-135.1 65.4-147.4 15.1 24.9 22.2 258 509 A S > - 0 0 6 65,-0.1 4,-2.8 -4,-0.1 -1,-0.2 0.496 33.6-127.6 -65.6 177.8 16.7 22.4 22.1 259 510 A A H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.946 110.8 45.9 -59.0 -51.4 13.9 20.2 20.7 260 511 A H H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.826 112.1 53.2 -63.2 -31.0 14.3 17.6 23.4 261 512 A F H > S+ 0 0 2 61,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.931 108.2 49.7 -68.9 -45.6 14.4 20.4 26.0 262 513 A N H X S+ 0 0 16 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.914 111.0 49.3 -59.2 -43.4 11.1 21.9 24.7 263 514 A R H X S+ 0 0 120 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.887 111.2 49.5 -64.8 -38.3 9.5 18.5 24.9 264 515 A S H X S+ 0 0 54 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.934 113.4 46.2 -64.8 -47.0 10.7 17.9 28.4 265 516 A M H X S+ 0 0 8 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.915 113.5 48.0 -62.6 -44.3 9.4 21.4 29.6 266 517 A R H X S+ 0 0 78 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.883 110.0 53.0 -65.6 -36.3 6.1 20.9 27.8 267 518 A A H X S+ 0 0 57 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.886 108.8 50.4 -65.3 -37.6 5.7 17.5 29.4 268 519 A L H X S+ 0 0 48 -4,-2.1 4,-1.2 1,-0.2 3,-0.3 0.958 107.4 53.2 -64.2 -48.9 6.4 19.0 32.8 269 520 A A H ><>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 3,-0.6 0.886 106.4 54.0 -52.5 -42.8 3.7 21.7 32.2 270 521 A K H ><5S+ 0 0 101 -4,-2.0 3,-2.1 1,-0.3 -1,-0.2 0.897 101.8 56.0 -61.4 -43.0 1.2 19.0 31.4 271 522 A T H 3<5S+ 0 0 112 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.778 108.1 52.2 -60.7 -24.3 1.8 17.1 34.6 272 523 A K T <<5S- 0 0 103 -4,-1.2 12,-0.3 -3,-0.6 -1,-0.3 0.189 122.0-105.9 -96.3 15.3 0.9 20.4 36.3 273 524 A G T < 5S+ 0 0 29 -3,-2.1 12,-2.1 1,-0.3 11,-0.6 0.838 88.3 114.3 63.7 30.4 -2.3 20.9 34.5 274 525 A M E < -F 283 0C 12 -5,-2.7 2,-0.3 9,-0.2 -1,-0.3 -0.725 53.6-145.4-123.8 173.9 -0.6 23.6 32.4 275 526 A S E -F 282 0C 17 7,-2.7 7,-3.7 -2,-0.2 2,-0.4 -0.991 5.8-164.1-149.2 138.6 0.4 24.0 28.8 276 527 A L E +F 281 0C 12 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.983 19.5 150.7-127.4 131.5 3.3 25.6 26.9 277 528 A S - 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0 0 73 4,-2.6 3,-2.1 -2,-0.4 -1,-0.1 -0.066 48.6 -79.6 -75.5-175.4 -9.4 14.4 28.6 289 540 A T T 3 S+ 0 0 142 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.585 131.5 58.6 -63.2 -8.2 -8.3 10.9 29.8 290 541 A H T 3 S- 0 0 167 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.231 116.9-109.2-106.4 13.1 -6.0 10.9 26.8 291 542 A G S < S+ 0 0 24 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.556 75.2 140.5 72.4 5.6 -4.0 14.0 27.6 292 543 A A - 0 0 45 1,-0.1 -4,-2.6 2,-0.0 2,-0.4 -0.602 60.3-107.7 -81.4 142.0 -5.8 15.7 24.8 293 544 A K E +H 287 0D 113 -2,-0.3 -6,-0.3 -6,-0.3 -1,-0.1 -0.569 47.2 158.6 -76.2 125.9 -6.7 19.3 25.4 294 545 A V E + 0 0 74 -8,-3.8 -7,-0.2 -2,-0.4 -1,-0.2 0.631 69.7 42.2-114.4 -30.2 -10.5 19.9 25.9 295 546 A G E -H 286 0D 13 -9,-3.1 -9,-1.9 1,-0.1 -1,-0.3 -0.986 68.7-148.3-124.5 128.9 -10.3 23.2 27.8 296 547 A P - 0 0 100 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.844 30.4-166.6 -60.5 -43.6 -7.9 26.1 26.9 297 548 A G - 0 0 35 -13,-0.1 2,-0.4 -12,-0.1 -13,-0.2 -0.438 34.8 -42.8 85.7-160.6 -7.4 27.5 30.4 298 549 A R E -G 283 0C 157 -15,-3.2 -15,-2.6 -2,-0.1 2,-0.4 -0.898 46.9-125.7-114.0 139.3 -5.8 30.8 31.2 299 550 A V E -G 282 0C 103 -2,-0.4 -17,-0.2 -17,-0.2 -2,-0.0 -0.638 29.3-141.9 -78.1 131.2 -2.8 32.4 29.6 300 551 A L - 0 0 30 -19,-3.2 -19,-0.5 -2,-0.4 2,-0.3 -0.733 23.7-100.6 -95.6 146.5 -0.2 33.4 32.3 301 552 A P + 0 0 102 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.485 44.9 171.7 -66.2 122.4 1.8 36.6 32.1 302 553 A T + 0 0 16 -2,-0.3 -53,-0.4 -56,-0.2 -52,-0.3 -0.592 11.1 161.7-135.8 74.1 5.3 35.7 30.8 303 554 A P S S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.816 72.1 20.7 -60.1 -33.8 7.3 38.9 30.1 304 555 A T S >> S- 0 0 67 -3,-0.1 4,-1.2 1,-0.1 3,-0.6 -0.901 81.5-108.1-136.1 165.1 10.6 37.0 30.1 305 556 A E H >> S+ 0 0 12 -2,-0.3 4,-1.8 1,-0.3 3,-0.5 0.914 117.4 60.1 -57.5 -44.6 12.0 33.5 29.8 306 557 A K H 3> S+ 0 0 127 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.851 98.3 60.3 -53.1 -35.9 12.7 33.4 33.5 307 558 A D H <> S+ 0 0 27 -3,-0.6 4,-3.4 2,-0.2 5,-0.3 0.938 102.1 51.1 -58.4 -47.4 9.0 33.9 34.1 308 559 A V H <>S+ 0 0 0 -4,-1.8 5,-2.5 2,-0.2 3,-0.8 0.962 113.9 50.5 -58.6 -51.3 10.6 28.7 34.4 310 561 A R H ><5S+ 0 0 150 -4,-3.2 3,-2.4 1,-0.3 -2,-0.2 0.936 108.3 50.9 -51.5 -54.3 9.4 30.4 37.6 311 562 A L H 3<5S+ 0 0 49 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.771 111.0 50.5 -57.3 -26.4 5.8 29.6 36.8 312 563 A L T <<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.363 116.9-113.9 -93.7 4.6 6.8 26.0 36.3 313 564 A G T < 5S+ 0 0 64 -3,-2.4 -3,-0.2 -4,-0.3 -2,-0.1 0.867 74.4 131.0 66.1 36.2 8.6 25.8 39.5 314 565 A L < - 0 0 58 -5,-2.5 -1,-0.2 -6,-0.1 2,-0.2 -0.921 62.0-113.1-122.3 146.8 12.0 25.4 37.7 315 566 A P - 0 0 94 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.534 47.1 -96.6 -75.7 144.5 15.3 27.2 38.2 316 567 A Y - 0 0 64 -2,-0.2 2,-0.4 1,-0.0 -10,-0.1 -0.257 37.6-157.0 -61.6 146.6 16.3 29.3 35.2 317 568 A R - 0 0 72 -3,-0.1 -8,-0.1 5,-0.0 5,-0.1 -0.994 15.2-126.0-130.5 127.6 18.6 27.8 32.7 318 569 A E > - 0 0 101 -2,-0.4 3,-2.4 1,-0.1 4,-0.2 -0.309 36.6-103.6 -64.3 154.8 20.8 29.8 30.3 319 570 A P G > S+ 0 0 16 0, 0.0 3,-2.5 0, 0.0 -150,-0.2 0.892 123.3 58.6 -47.7 -44.5 20.4 28.9 26.6 320 571 A A G > S+ 0 0 69 1,-0.3 3,-0.6 -152,-0.2 -151,-0.1 0.704 100.7 57.7 -60.4 -19.0 23.7 26.9 26.7 321 572 A E G < S+ 0 0 95 -3,-2.4 -1,-0.3 1,-0.2 -3,-0.1 0.326 96.7 63.5 -93.2 8.1 22.2 24.8 29.5 322 573 A R G < + 0 0 0 -3,-2.5 2,-2.6 -4,-0.2 -61,-0.3 0.237 62.9 119.0-113.1 10.6 19.3 23.8 27.3 323 574 A D < 0 0 56 -3,-0.6 -1,-0.1 1,-0.2 -65,-0.1 -0.340 360.0 360.0 -76.6 60.4 21.4 21.9 24.7 324 575 A W 0 0 119 -2,-2.6 -1,-0.2 0, 0.0 -2,-0.0 0.946 360.0 360.0 -86.1 360.0 19.6 18.6 25.4