==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE, LYASE/DNA 05-APR-07 2PFP . COMPND 2 MOLECULE: TEMPLATE; . SOURCE 2 MOL_ID: 2; . AUTHOR M.GARCIA-DIAZ,K.BEBENEK,J.M.KRAHN,L.C.PEDERSEN,T.A.KUNKEL . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 9.8 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 . 45 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 2 0 2 2 2 1 0 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 4 0 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 1 250 A T 0 0 126 0, 0.0 2,-0.6 0, 0.0 38,-0.0 0.000 360.0 360.0 360.0 34.4 31.8 12.7 29.2 2 251 A N + 0 0 59 1,-0.1 3,-0.4 2,-0.1 36,-0.1 -0.450 360.0 177.0 -64.9 109.2 30.3 9.7 27.5 3 252 A H S S+ 0 0 37 -2,-0.6 -1,-0.1 37,-0.4 35,-0.1 -0.153 72.2 60.7-104.0 36.6 31.8 6.6 29.1 4 253 A N >> + 0 0 13 39,-0.1 4,-2.5 34,-0.0 3,-1.7 -0.019 52.4 136.3-152.7 36.5 29.7 4.2 27.0 5 254 A L H 3> S+ 0 0 51 -3,-0.4 4,-2.3 1,-0.3 5,-0.3 0.879 75.0 56.9 -55.6 -41.7 30.5 4.8 23.4 6 255 A H H 34 S+ 0 0 171 2,-0.2 -1,-0.3 1,-0.2 4,-0.1 0.631 114.1 40.6 -67.8 -12.0 30.7 1.1 22.6 7 256 A I H X> S+ 0 0 18 -3,-1.7 4,-1.6 2,-0.1 3,-0.8 0.867 118.2 41.0 -97.5 -58.1 27.1 0.8 23.9 8 257 A T H 3X S+ 0 0 3 -4,-2.5 4,-3.9 1,-0.2 5,-0.3 0.893 107.2 62.6 -58.6 -44.1 25.4 3.8 22.5 9 258 A E H 3X S+ 0 0 53 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.832 108.9 43.8 -52.1 -33.5 27.1 3.6 19.1 10 259 A K H <> S+ 0 0 16 -3,-0.8 4,-1.2 -5,-0.3 -1,-0.3 0.842 116.1 46.1 -80.5 -35.7 25.3 0.2 18.7 11 260 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -2,-0.2 0.865 104.5 60.9 -74.6 -37.3 22.0 1.5 20.0 12 261 A E H X S+ 0 0 78 -4,-3.9 4,-2.1 1,-0.2 -1,-0.2 0.832 103.3 52.3 -59.7 -31.9 22.0 4.7 17.9 13 262 A V H X S+ 0 0 77 -4,-0.7 4,-2.0 -5,-0.3 -1,-0.2 0.931 111.3 45.8 -68.6 -45.2 22.1 2.5 14.8 14 263 A L H X S+ 0 0 6 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.852 111.4 53.8 -66.0 -33.9 19.1 0.6 16.1 15 264 A A H X S+ 0 0 14 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.928 109.2 46.4 -66.8 -45.9 17.3 3.9 17.0 16 265 A K H X S+ 0 0 35 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.877 109.4 56.6 -64.2 -38.0 17.8 5.4 13.5 17 266 A A H X S+ 0 0 2 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.959 110.8 42.3 -57.8 -52.7 16.6 2.1 12.0 18 267 A Y H <>S+ 0 0 35 -4,-2.1 5,-2.0 1,-0.2 4,-0.3 0.881 113.4 54.8 -62.2 -38.7 13.3 2.3 13.9 19 268 A S H ><5S+ 0 0 67 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.939 109.6 43.7 -62.6 -49.0 13.0 6.0 13.2 20 269 A V H 3<5S+ 0 0 15 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.815 109.7 58.0 -67.3 -29.2 13.2 5.8 9.5 21 270 A Q T 3<5S- 0 0 62 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.488 120.4-110.1 -78.5 -1.9 10.9 2.8 9.4 22 271 A G T < 5S+ 0 0 35 -3,-1.3 2,-2.6 -4,-0.3 3,-0.2 0.439 76.6 135.1 90.3 -1.9 8.3 4.9 11.1 23 272 A D >< + 0 0 61 -5,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.443 27.6 167.3 -80.1 69.6 8.3 3.2 14.6 24 273 A K H > + 0 0 121 -2,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.860 65.0 45.8 -52.0 -51.5 8.4 6.6 16.2 25 274 A W H > S+ 0 0 168 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 112.9 49.0 -67.3 -38.6 7.6 5.7 19.8 26 275 A R H > S+ 0 0 107 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 112.1 50.5 -67.4 -38.7 10.1 2.8 20.0 27 276 A A H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.884 107.4 53.5 -63.5 -39.6 12.7 5.1 18.5 28 277 A L H X S+ 0 0 34 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.948 106.0 54.3 -59.0 -46.6 11.9 7.7 21.1 29 278 A G H X S+ 0 0 41 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.921 111.0 44.1 -52.2 -49.2 12.4 5.1 23.7 30 279 A Y H X S+ 0 0 35 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.894 108.2 59.4 -63.6 -41.2 15.9 4.3 22.4 31 280 A A H X S+ 0 0 33 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.899 107.9 44.1 -55.1 -45.5 16.7 8.0 22.0 32 281 A K H X S+ 0 0 124 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.882 113.7 50.5 -69.1 -38.2 16.2 8.7 25.7 33 282 A A H X S+ 0 0 1 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.942 112.4 46.5 -63.7 -47.8 18.1 5.5 26.7 34 283 A I H < S+ 0 0 9 -4,-3.1 4,-0.4 1,-0.2 -1,-0.2 0.872 111.8 51.9 -61.0 -39.2 21.0 6.5 24.5 35 284 A N H >< S+ 0 0 79 -4,-2.0 3,-1.0 -5,-0.3 -1,-0.2 0.919 110.6 48.5 -63.8 -44.4 20.9 10.0 25.9 36 285 A A H >X S+ 0 0 15 -4,-2.5 3,-3.1 1,-0.3 4,-1.4 0.960 105.2 57.0 -59.9 -53.3 21.0 8.7 29.4 37 286 A L T 3< S+ 0 0 1 -4,-2.9 -34,-0.3 1,-0.3 -1,-0.3 0.599 105.2 54.6 -55.8 -11.7 24.0 6.4 28.7 38 287 A K T <4 S+ 0 0 79 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.415 108.9 46.3-102.5 -0.1 25.9 9.5 27.6 39 288 A S T <4 S+ 0 0 79 -3,-3.1 2,-1.6 -4,-0.2 -2,-0.2 0.527 84.1 98.5-113.3 -15.9 25.3 11.3 30.9 40 289 A F < - 0 0 26 -4,-1.4 -37,-0.4 1,-0.2 4,-0.2 -0.598 61.7-159.8 -79.3 87.1 26.2 8.4 33.2 41 290 A H S S+ 0 0 80 -2,-1.6 -1,-0.2 -39,-0.1 -4,-0.0 0.722 74.4 63.5 -34.0 -38.5 29.8 9.4 34.0 42 291 A K S S- 0 0 125 -3,-0.1 2,-0.6 -38,-0.0 -39,-0.1 -0.762 95.7-112.0 -98.8 139.2 30.5 5.8 35.1 43 292 A P - 0 0 69 0, 0.0 -39,-0.1 0, 0.0 -2,-0.1 -0.590 40.9-109.5 -72.2 114.7 30.4 2.9 32.5 44 293 A V + 0 0 31 -2,-0.6 3,-0.1 -4,-0.2 6,-0.0 -0.105 40.3 177.2 -43.0 137.3 27.4 0.7 33.5 45 294 A T + 0 0 86 1,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.504 54.5 48.0-124.2 -11.6 28.8 -2.6 34.8 46 295 A S S > S- 0 0 63 1,-0.1 4,-1.7 0, 0.0 -1,-0.1 -0.924 72.9-124.3-134.2 157.9 25.7 -4.5 35.9 47 296 A Y H > S+ 0 0 103 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.763 121.4 45.7 -65.9 -24.2 22.3 -5.5 34.6 48 297 A Q H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.876 105.0 57.3 -83.9 -44.1 21.1 -3.8 37.7 49 298 A E H 4 S+ 0 0 36 1,-0.2 -2,-0.2 2,-0.2 -1,-0.1 0.829 109.9 49.6 -55.8 -31.4 23.3 -0.7 37.4 50 299 A A H >< S+ 0 0 1 -4,-1.7 3,-3.5 2,-0.2 -2,-0.2 0.984 107.5 48.8 -71.1 -61.3 21.5 -0.2 34.1 51 300 A C H 3< S+ 0 0 53 -4,-1.5 5,-0.2 1,-0.3 -2,-0.2 0.823 103.0 66.7 -47.5 -33.9 17.9 -0.6 35.2 52 301 A S T 3< S+ 0 0 92 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.598 85.2 90.1 -65.6 -11.7 18.9 1.9 37.9 53 302 A I S X S- 0 0 30 -3,-3.5 3,-2.1 -5,-0.1 -16,-0.1 -0.768 87.1-114.1 -94.4 127.9 19.4 4.5 35.3 54 303 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.341 104.5 28.3 -58.0 129.0 16.4 6.7 34.3 55 304 A G T 3 S+ 0 0 47 1,-0.2 2,-0.5 -4,-0.1 -22,-0.1 0.358 102.4 98.7 100.0 -4.5 15.4 6.0 30.7 56 305 A I < + 0 0 13 -3,-2.1 -1,-0.2 -5,-0.2 2,-0.2 -0.969 47.3 176.9-121.4 127.3 16.7 2.4 30.8 57 306 A G > - 0 0 39 -2,-0.5 4,-3.0 -3,-0.1 5,-0.2 -0.447 48.9 -83.5-113.4-170.7 14.4 -0.6 31.4 58 307 A K H > S+ 0 0 46 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.938 127.4 49.6 -60.2 -49.3 14.9 -4.4 31.5 59 308 A R H > S+ 0 0 183 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.925 115.2 43.1 -56.2 -48.8 14.6 -4.7 27.8 60 309 A M H > S+ 0 0 18 1,-0.2 4,-0.8 2,-0.2 3,-0.2 0.943 115.2 49.3 -63.9 -48.9 17.2 -2.0 27.2 61 310 A A H >X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 3,-1.5 0.920 103.4 61.6 -56.1 -48.1 19.5 -3.2 29.9 62 311 A E H >X S+ 0 0 104 -4,-3.2 4,-1.6 1,-0.3 3,-0.6 0.894 107.4 42.8 -45.5 -50.8 19.4 -6.8 28.6 63 312 A K H 3X S+ 0 0 21 -4,-1.4 4,-0.9 1,-0.2 -1,-0.3 0.616 105.1 63.9 -76.1 -12.7 20.9 -5.8 25.3 64 313 A I H > - 0 0 9 -2,-0.3 3,-1.2 1,-0.2 4,-0.6 -0.907 10.0-158.2-121.7 104.1 24.3 -6.8 19.4 74 323 A R G >4 S+ 0 0 45 -2,-0.6 3,-1.6 1,-0.3 4,-0.2 0.842 91.4 62.0 -43.9 -43.9 22.5 -9.7 17.6 75 324 A K G >4 S+ 0 0 95 1,-0.3 3,-2.8 2,-0.2 -1,-0.3 0.878 92.2 63.0 -53.7 -44.1 19.7 -7.4 16.7 76 325 A L G X4 S+ 0 0 48 -3,-1.2 3,-0.9 1,-0.3 -1,-0.3 0.750 95.4 62.9 -54.9 -24.3 21.9 -5.2 14.5 77 326 A D G << S+ 0 0 123 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.518 103.2 48.9 -79.9 -5.2 22.5 -8.2 12.3 78 327 A H G < S+ 0 0 158 -3,-2.8 2,-0.4 -4,-0.2 -1,-0.2 0.067 73.6 132.3-123.1 25.9 18.8 -8.4 11.4 79 328 A I < - 0 0 47 -3,-0.9 -3,-0.0 1,-0.1 -65,-0.0 -0.646 69.2 -97.8 -78.4 130.3 18.1 -4.8 10.4 80 329 A S > - 0 0 54 -2,-0.4 3,-1.3 1,-0.2 -1,-0.1 -0.114 21.6-129.2 -48.8 141.3 16.2 -4.6 7.1 81 330 A E T 3 S+ 0 0 162 1,-0.3 4,-0.5 2,-0.1 -1,-0.2 0.663 105.0 71.1 -66.3 -16.7 18.4 -4.0 4.1 82 331 A S T 3> S+ 0 0 13 1,-0.2 4,-2.5 2,-0.1 3,-0.5 0.768 76.0 83.2 -72.0 -25.6 16.0 -1.2 3.2 83 332 A V H <> S+ 0 0 16 -3,-1.3 4,-2.7 1,-0.2 5,-0.3 0.876 86.1 50.4 -48.2 -54.2 17.1 1.0 6.1 84 333 A P H > S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.906 115.9 45.7 -54.1 -39.3 20.1 2.7 4.5 85 334 A V H > S+ 0 0 23 -4,-0.5 4,-2.5 -3,-0.5 -2,-0.2 0.884 110.4 51.5 -71.2 -39.4 17.9 3.5 1.5 86 335 A L H X S+ 0 0 3 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.872 111.7 48.6 -65.0 -35.9 15.0 4.8 3.7 87 336 A E H X S+ 0 0 85 -4,-2.7 4,-0.6 -5,-0.2 -1,-0.2 0.877 109.5 52.2 -69.8 -39.4 17.5 7.0 5.5 88 337 A L H >< S+ 0 0 49 -4,-1.9 3,-0.7 -5,-0.3 -2,-0.2 0.948 115.0 42.5 -60.3 -48.9 18.8 8.3 2.2 89 338 A F H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.915 111.1 52.2 -65.4 -48.1 15.3 9.1 1.0 90 339 A S H 3< S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.552 94.1 74.0 -69.7 -5.2 14.1 10.7 4.2 91 340 A N T << S+ 0 0 66 -3,-0.7 2,-0.5 -4,-0.6 -1,-0.3 0.417 74.2 98.5 -85.4 2.0 17.1 12.9 4.2 92 341 A I S X S- 0 0 2 -3,-1.8 3,-2.1 3,-0.1 2,-0.2 -0.795 90.0-113.1 -86.5 127.3 15.4 14.8 1.4 93 342 A W T 3 S+ 0 0 69 -2,-0.5 34,-0.4 1,-0.3 35,-0.2 -0.468 104.0 25.3 -64.2 125.3 13.7 17.9 3.0 94 343 A G T 3 S+ 0 0 33 1,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.260 102.4 97.5 103.5 -12.3 10.0 17.4 2.7 95 344 A A < + 0 0 8 -3,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.942 49.6 173.5-111.5 131.6 10.1 13.6 2.5 96 345 A G > - 0 0 36 -2,-0.5 4,-2.7 -3,-0.1 5,-0.2 -0.433 51.8 -66.5-119.5-163.1 9.5 11.6 5.6 97 346 A T H > S+ 0 0 38 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.898 128.8 52.0 -56.4 -44.5 9.1 8.0 6.6 98 347 A K H > S+ 0 0 163 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 113.8 42.0 -59.8 -47.3 5.8 7.5 4.7 99 348 A T H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.887 113.7 53.5 -67.6 -39.8 7.2 8.9 1.4 100 349 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.940 110.7 45.5 -61.2 -47.3 10.5 7.0 1.9 101 350 A Q H X S+ 0 0 75 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.853 112.0 52.4 -66.0 -34.5 8.7 3.7 2.3 102 351 A M H X S+ 0 0 88 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.958 110.9 46.6 -64.6 -50.4 6.4 4.4 -0.6 103 352 A W H <>S+ 0 0 1 -4,-2.7 5,-2.1 1,-0.2 -2,-0.2 0.890 113.2 49.0 -58.0 -41.8 9.4 5.1 -2.9 104 353 A Y H ><5S+ 0 0 42 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.895 109.3 52.9 -64.7 -39.8 11.2 2.0 -1.6 105 354 A Q H 3<5S+ 0 0 157 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.860 104.2 56.8 -63.0 -36.0 8.0 -0.0 -2.3 106 355 A Q T 3<5S- 0 0 106 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.399 126.4-100.7 -78.1 4.1 7.9 1.3 -5.8 107 356 A G T < 5S+ 0 0 41 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.362 72.4 145.6 96.4 -6.2 11.4 -0.0 -6.4 108 357 A F < + 0 0 17 -5,-2.1 -1,-0.3 -6,-0.2 3,-0.1 -0.410 11.6 162.4 -68.9 139.4 13.5 3.2 -6.0 109 358 A R + 0 0 104 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.484 55.7 36.7-133.6 -11.8 16.9 2.7 -4.4 110 359 A S S > S- 0 0 41 1,-0.1 4,-2.0 -22,-0.0 -1,-0.2 -0.914 78.4-109.5-141.7 167.2 18.9 5.8 -5.2 111 360 A L H > S+ 0 0 40 -2,-0.3 4,-3.6 1,-0.2 5,-0.2 0.825 120.4 59.9 -67.1 -28.1 18.6 9.6 -5.6 112 361 A E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.918 105.0 48.3 -63.8 -41.6 19.2 9.0 -9.3 113 362 A D H >>S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.8 0.919 114.3 46.8 -62.4 -43.1 16.0 6.8 -9.2 114 363 A I H X5S+ 0 0 0 -4,-2.0 4,-1.5 3,-0.2 -2,-0.2 0.964 112.7 48.7 -62.6 -52.9 14.2 9.6 -7.3 115 364 A R H <5S+ 0 0 148 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.896 121.5 34.2 -54.5 -46.1 15.4 12.3 -9.6 116 365 A S H <5S+ 0 0 57 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.807 135.9 13.1 -85.0 -29.8 14.5 10.5 -12.8 117 366 A Q H <5S+ 0 0 130 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.649 93.7 100.4-124.0 -18.2 11.3 8.6 -11.8 118 367 A A << - 0 0 16 -4,-1.5 2,-0.7 -5,-0.8 -4,-0.0 -0.405 67.5-125.2 -76.2 148.2 9.8 9.8 -8.5 119 368 A S - 0 0 107 -2,-0.1 2,-0.4 0, 0.0 -1,-0.1 -0.823 38.1-164.0 -88.9 119.6 6.9 12.1 -8.3 120 369 A L - 0 0 54 -2,-0.7 2,-0.1 -5,-0.1 -25,-0.0 -0.850 17.3-131.7-114.3 145.5 8.1 15.0 -6.1 121 370 A T > 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S+ 0 0 33 -3,-1.7 4,-0.5 1,-0.2 -1,-0.1 0.905 78.1 36.8 -46.9 -55.8 20.6 17.4 -0.8 132 381 A S H >> S+ 0 0 84 -4,-0.3 3,-1.4 1,-0.2 4,-0.7 0.939 115.9 53.5 -66.0 -46.2 24.3 17.8 0.2 133 382 A D H >4 S+ 0 0 14 1,-0.3 3,-1.2 2,-0.2 -2,-0.2 0.901 106.4 53.0 -55.1 -43.5 24.0 21.4 1.3 134 383 A F H 3< S+ 0 0 37 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.609 105.2 54.8 -70.9 -11.8 21.1 20.6 3.7 135 384 A L H << S+ 0 0 89 -3,-1.4 -1,-0.3 -4,-0.5 2,-0.2 0.553 96.7 85.3 -95.5 -7.6 23.1 17.8 5.3 136 385 A E << - 0 0 97 -3,-1.2 2,-0.4 -4,-0.7 -3,-0.0 -0.606 68.7-141.5 -94.0 153.5 26.0 20.2 6.1 137 386 A R - 0 0 126 -2,-0.2 40,-0.2 101,-0.1 -2,-0.1 -0.859 16.3-136.2-111.1 146.3 26.3 22.5 9.1 138 387 A M E -A 176 0A 1 38,-3.0 38,-2.7 -2,-0.4 2,-0.1 -0.678 27.0 -98.8-101.3 157.4 27.7 26.0 8.8 139 388 A P E >> -A 175 0A 57 0, 0.0 3,-1.5 0, 0.0 4,-1.2 -0.483 37.7-116.8 -69.6 146.7 30.2 27.7 11.2 140 389 A R H 3> S+ 0 0 64 34,-2.8 4,-2.4 1,-0.3 5,-0.2 0.836 113.0 68.7 -56.6 -30.4 28.3 29.9 13.6 141 390 A E H 3> S+ 0 0 126 33,-0.3 4,-1.7 1,-0.3 -1,-0.3 0.868 100.5 47.4 -54.6 -39.1 30.1 32.9 12.1 142 391 A E H <> S+ 0 0 9 -3,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.846 106.9 56.7 -71.5 -34.2 28.2 32.4 8.9 143 392 A A H X S+ 0 0 0 -4,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.906 104.8 53.5 -61.9 -40.5 25.0 32.1 10.9 144 393 A T H X S+ 0 0 46 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.946 106.9 51.0 -58.3 -48.2 25.8 35.5 12.3 145 394 A E H X S+ 0 0 73 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.876 111.3 48.5 -57.7 -39.8 26.1 36.9 8.8 146 395 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.920 111.8 47.5 -68.6 -44.0 22.8 35.4 7.8 147 396 A E H X S+ 0 0 11 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.950 112.8 50.7 -61.3 -46.0 21.0 36.8 10.9 148 397 A Q H X S+ 0 0 99 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.870 108.4 52.3 -58.6 -38.4 22.6 40.2 10.2 149 398 A T H X S+ 0 0 28 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.910 113.7 42.7 -65.6 -42.0 21.4 40.1 6.6 150 399 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.939 115.8 48.9 -69.3 -45.7 17.9 39.4 7.7 151 400 A Q H X S+ 0 0 40 -4,-3.3 4,-3.2 1,-0.2 5,-0.3 0.894 108.9 53.0 -60.5 -43.4 18.0 42.0 10.5 152 401 A K H X S+ 0 0 61 -4,-2.8 4,-0.8 -5,-0.2 -1,-0.2 0.940 111.3 45.9 -58.6 -47.5 19.4 44.7 8.2 153 402 A A H X S+ 0 0 6 -4,-1.8 4,-0.6 -5,-0.2 -1,-0.2 0.806 116.0 47.2 -65.9 -30.9 16.6 44.2 5.8 154 403 A A H >< S+ 0 0 1 -4,-1.8 3,-0.8 1,-0.2 4,-0.4 0.944 111.8 46.4 -75.9 -51.2 14.0 44.2 8.6 155 404 A Q H 3< S+ 0 0 73 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.601 97.9 78.3 -68.0 -10.2 15.3 47.2 10.4 156 405 A A H 3< S+ 0 0 80 -4,-0.8 3,-0.2 -5,-0.3 -1,-0.2 0.939 105.4 28.3 -64.5 -48.2 15.5 49.0 7.1 157 406 A F S << S+ 0 0 90 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.339 142.4 17.4 -96.5 8.2 11.7 49.6 6.9 158 407 A N > - 0 0 48 -4,-0.4 3,-1.9 -3,-0.1 -1,-0.3 -0.415 59.0-166.9-177.6 92.8 11.3 49.8 10.7 159 408 A S T 3 S+ 0 0 105 1,-0.3 -4,-0.1 -3,-0.2 -3,-0.1 0.574 86.3 72.1 -62.4 -9.6 14.3 50.2 13.0 160 409 A G T 3 + 0 0 32 2,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.727 69.8 111.0 -79.4 -21.7 12.1 49.2 15.9 161 410 A L < - 0 0 1 -3,-1.9 2,-0.5 -7,-0.2 24,-0.2 -0.314 61.6-143.9 -58.6 127.7 12.0 45.6 14.8 162 411 A L E -B 184 0B 66 22,-2.9 22,-1.8 -2,-0.1 2,-0.4 -0.822 18.1-170.2 -95.4 129.5 13.9 43.3 17.2 163 412 A C E +B 183 0B 10 -2,-0.5 2,-0.4 20,-0.2 20,-0.2 -0.982 8.5 172.7-126.4 131.0 15.8 40.4 15.6 164 413 A V E -B 182 0B 42 18,-2.3 18,-3.1 -2,-0.4 2,-0.4 -0.995 28.2-134.8-141.5 134.1 17.4 37.5 17.3 165 414 A A E +B 181 0B 5 -2,-0.4 16,-0.2 16,-0.2 14,-0.0 -0.719 36.9 169.8 -83.4 133.5 19.0 34.3 16.0 166 415 A C >> + 0 0 0 14,-3.6 4,-1.6 -2,-0.4 3,-1.0 0.150 32.0 68.3-118.4-134.0 17.8 31.3 18.1 167 416 A G H 3> S- 0 0 6 90,-2.1 4,-1.3 1,-0.2 3,-0.5 -0.009 117.7 -18.8 47.6-151.0 18.1 27.6 17.8 168 417 A S H 34>S+ 0 0 13 1,-0.2 5,-2.5 2,-0.2 -1,-0.2 0.746 135.0 65.8 -57.4 -26.0 21.5 26.0 18.2 169 418 A Y H X45S+ 0 0 49 -3,-1.0 3,-1.7 1,-0.2 -1,-0.2 0.964 103.8 42.0 -62.2 -53.2 23.1 29.4 17.6 170 419 A R H 3<5S+ 0 0 63 -4,-1.6 152,-0.3 -3,-0.5 -1,-0.2 0.751 107.4 62.5 -67.0 -23.4 21.7 31.0 20.8 171 420 A R T 3<5S- 0 0 36 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.513 120.7-111.9 -79.2 -2.8 22.5 27.8 22.7 172 421 A G T < 5 + 0 0 51 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.643 56.3 164.5 85.9 17.2 26.2 28.6 21.8 173 422 A K < - 0 0 85 -5,-2.5 -1,-0.2 1,-0.1 -33,-0.0 -0.302 41.7-132.6 -68.8 151.1 27.0 25.8 19.4 174 423 A A S S+ 0 0 74 1,-0.1 -34,-2.8 -35,-0.1 2,-0.3 0.831 91.4 30.0 -71.2 -33.6 30.1 26.1 17.1 175 424 A T E S-A 139 0A 59 -36,-0.3 2,-0.4 -35,-0.1 -1,-0.1 -0.939 71.8-149.2-128.2 152.7 28.1 25.1 14.0 176 425 A C E -A 138 0A 0 -38,-2.7 -38,-3.0 -2,-0.3 3,-0.1 -0.962 14.3-150.8-125.1 138.7 24.5 25.5 13.0 177 426 A G S S- 0 0 30 -2,-0.4 62,-0.5 -40,-0.2 2,-0.3 0.820 85.3 -24.5 -72.1 -32.7 22.3 23.3 10.8 178 427 A D S S- 0 0 31 60,-0.1 2,-0.5 -40,-0.1 62,-0.2 -0.905 76.2 -88.3-161.1-174.8 20.3 26.4 9.7 179 428 A V E - c 0 240B 3 60,-2.1 62,-3.0 -2,-0.3 2,-0.7 -0.949 27.7-162.7-117.6 123.5 19.5 29.8 10.9 180 429 A D E - c 0 241B 20 -2,-0.5 -14,-3.6 -14,-0.3 2,-0.6 -0.885 11.0-173.4-106.1 106.4 16.5 30.5 13.2 181 430 A V E -Bc 165 242B 0 60,-3.1 62,-2.3 -2,-0.7 2,-0.4 -0.884 6.1-163.8-107.4 118.0 15.6 34.2 13.2 182 431 A L E -Bc 164 243B 1 -18,-3.1 -18,-2.3 -2,-0.6 2,-0.4 -0.787 8.7-169.3 -96.2 139.1 12.8 35.4 15.6 183 432 A I E +Bc 163 244B 0 60,-2.5 62,-2.5 -2,-0.4 2,-0.3 -0.996 17.5 145.1-134.6 130.8 11.3 38.8 14.9 184 433 A T E -B 162 0B 0 -22,-1.8 -22,-2.9 -2,-0.4 -2,-0.0 -0.880 34.7-126.4-149.1 176.6 9.0 40.9 17.1 185 434 A H > - 0 0 18 60,-0.4 3,-2.1 -2,-0.3 62,-0.4 -0.988 11.0-138.9-139.9 129.3 8.4 44.5 18.0 186 435 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 0.632 101.2 65.4 -57.0 -18.5 8.3 46.2 21.5 187 436 A D T 3 S- 0 0 77 -27,-0.1 -27,-0.0 1,-0.0 0, 0.0 0.474 103.0-131.0 -86.1 1.3 5.2 48.3 20.5 188 437 A G S < S+ 0 0 42 -3,-2.1 60,-0.1 1,-0.1 -1,-0.0 0.582 89.1 49.6 64.0 12.3 3.2 45.1 20.2 189 438 A R S > S+ 0 0 65 57,-0.1 3,-1.3 58,-0.0 -1,-0.1 0.543 79.2 77.9-148.6 -26.0 1.7 45.9 16.8 190 439 A S T 3 S+ 0 0 48 1,-0.3 -29,-0.1 -5,-0.1 -30,-0.0 0.508 80.5 81.3 -75.2 -0.5 4.1 47.0 14.1 191 440 A H T > S+ 0 0 30 -6,-0.2 3,-0.5 2,-0.1 2,-0.4 0.375 72.0 104.3 -84.5 7.3 5.1 43.3 13.7 192 441 A R T < S+ 0 0 72 -3,-1.3 28,-0.1 1,-0.2 -3,-0.0 -0.717 84.5 2.8 -98.6 140.9 2.0 42.7 11.5 193 442 A G T 3 S+ 0 0 51 26,-0.5 4,-0.4 -2,-0.4 -1,-0.2 0.813 89.0 121.3 62.6 32.5 2.1 42.3 7.8 194 443 A I <> + 0 0 11 -3,-0.5 4,-3.2 2,-0.2 3,-0.4 0.773 51.5 76.5 -95.1 -30.1 5.9 42.5 7.6 195 444 A F H > S+ 0 0 12 1,-0.3 4,-2.3 2,-0.2 5,-0.5 0.874 94.7 55.5 -46.8 -40.4 6.6 39.1 6.0 196 445 A S H > S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.945 114.2 37.9 -58.0 -49.7 5.5 40.7 2.7 197 446 A R H > S+ 0 0 34 -4,-0.4 4,-2.3 -3,-0.4 -2,-0.2 0.925 119.0 46.7 -69.6 -47.3 8.0 43.5 3.0 198 447 A L H X S+ 0 0 1 -4,-3.2 4,-2.9 2,-0.2 5,-0.2 0.952 114.5 43.9 -61.4 -55.3 10.9 41.5 4.5 199 448 A L H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.869 113.6 53.4 -59.7 -37.7 10.8 38.6 2.1 200 449 A D H X S+ 0 0 104 -4,-1.3 4,-2.1 -5,-0.5 -1,-0.2 0.935 111.2 46.0 -61.8 -46.5 10.3 41.0 -0.8 201 450 A S H X S+ 0 0 39 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.904 111.4 51.0 -63.8 -42.9 13.4 42.9 0.3 202 451 A L H <>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.2 6,-1.3 0.759 112.0 48.2 -68.5 -22.8 15.5 39.7 0.8 203 452 A R H ><5S+ 0 0 85 -4,-1.5 3,-1.7 -5,-0.2 -1,-0.2 0.842 103.5 60.5 -83.5 -35.6 14.5 38.6 -2.7 204 453 A Q H 3<5S+ 0 0 85 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.919 108.2 44.4 -57.2 -44.9 15.3 41.9 -4.3 205 454 A E T 3<5S- 0 0 110 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.397 116.0-119.3 -81.7 6.5 18.9 41.5 -3.1 206 455 A G T < 5S+ 0 0 48 -3,-1.7 -3,-0.2 -5,-0.1 -2,-0.1 0.692 75.7 129.1 66.0 20.0 18.9 37.9 -4.3 207 456 A F < + 0 0 4 -5,-1.9 22,-1.8 -6,-0.2 2,-0.4 0.893 58.1 64.0 -72.8 -41.2 19.5 36.6 -0.8 208 457 A L E +D 228 0B 16 -6,-1.3 20,-0.3 20,-0.2 3,-0.1 -0.707 56.1 173.3 -85.8 134.8 16.6 34.1 -0.8 209 458 A T E + 0 0 51 18,-3.1 2,-0.3 -2,-0.4 19,-0.2 0.681 62.3 12.6-113.0 -27.3 16.9 31.3 -3.4 210 459 A D E -D 227 0B 19 17,-1.4 17,-2.5 -84,-0.0 2,-0.5 -0.996 59.1-141.2-151.9 148.5 14.0 29.0 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113.3 41.8 -59.7 -50.4 8.3 30.6 32.3 311 560 A F H ><>S+ 0 0 3 -4,-1.9 5,-2.7 2,-0.2 3,-0.5 0.951 116.0 50.4 -60.7 -50.4 10.7 28.6 34.5 312 561 A R H ><5S+ 0 0 144 -4,-3.1 3,-3.0 1,-0.3 -2,-0.2 0.957 108.9 50.0 -52.0 -57.9 9.5 30.4 37.6 313 562 A L H 3<5S+ 0 0 49 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.772 110.6 51.8 -54.4 -27.7 5.9 29.7 37.0 314 563 A L T <<5S- 0 0 1 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.386 118.9-112.7 -90.3 3.4 6.8 26.0 36.3 315 564 A G T < 5S+ 0 0 64 -3,-3.0 -3,-0.2 1,-0.2 -2,-0.1 0.896 74.2 134.1 67.0 39.9 8.6 25.9 39.6 316 565 A L < - 0 0 53 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.2 -0.934 60.9-115.2-125.7 146.1 11.9 25.5 37.9 317 566 A P - 0 0 101 0, 0.0 -9,-0.0 0, 0.0 0, 0.0 -0.573 48.6 -98.6 -76.2 139.9 15.3 27.1 38.3 318 567 A Y - 0 0 66 -2,-0.2 2,-0.4 1,-0.1 -10,-0.1 -0.086 35.4-151.7 -55.8 156.2 16.3 29.1 35.2 319 568 A R - 0 0 119 -3,-0.1 5,-0.1 5,-0.0 -8,-0.1 -0.998 13.2-127.0-135.6 130.0 18.6 27.7 32.6 320 569 A E > - 0 0 117 -2,-0.4 3,-2.1 1,-0.1 4,-0.1 -0.410 35.1-108.3 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