==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE,TRANSFERASE/DNA 06-APR-10 3MGH . COMPND 2 MOLECULE: DNA POLYMERASE LAMBDA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.GARCIA-DIAZ,K.BEBENEK,R.Z.ZHOU,L.F.POVIRK,T.KUNKEL . 640 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 431 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 10.0 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 . 4 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 . 25 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 2 2 5 2 3 2 1 0 4 0 1 5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 4 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 1 249 A A 0 0 158 0, 0.0 2,-0.3 0, 0.0 40,-0.0 0.000 360.0 360.0 360.0 4.5 39.2 -25.8 -20.0 2 250 A T - 0 0 88 40,-0.1 2,-0.8 38,-0.1 0, 0.0 -0.811 360.0-110.5-112.4 149.9 40.9 -25.1 -16.7 3 251 A N > - 0 0 41 -2,-0.3 3,-0.6 1,-0.2 36,-0.1 -0.685 27.9-177.9 -81.9 108.3 40.2 -22.5 -14.0 4 252 A H T 3 S+ 0 0 80 -2,-0.8 -1,-0.2 37,-0.6 35,-0.1 0.296 79.5 56.2 -86.3 10.3 43.1 -20.0 -14.1 5 253 A N T >> + 0 0 7 33,-0.2 4,-2.6 39,-0.1 3,-0.8 -0.004 63.2 132.8-132.0 31.8 41.5 -18.1 -11.1 6 254 A L H <> S+ 0 0 93 -3,-0.6 4,-2.6 1,-0.3 5,-0.2 0.862 70.4 52.6 -57.0 -49.7 41.2 -20.7 -8.4 7 255 A H H 3> S+ 0 0 93 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.821 116.3 45.3 -59.8 -27.0 42.6 -18.9 -5.4 8 256 A I H <> S+ 0 0 9 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.920 111.4 48.1 -81.2 -47.0 40.1 -16.1 -6.3 9 257 A T H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.837 107.6 58.0 -65.1 -31.7 37.0 -18.3 -6.9 10 258 A E H X S+ 0 0 85 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.973 108.4 44.1 -61.0 -54.7 37.6 -20.2 -3.7 11 259 A K H X S+ 0 0 47 -4,-1.1 4,-1.4 -5,-0.2 -2,-0.2 0.920 114.3 50.8 -56.1 -46.5 37.4 -17.0 -1.6 12 260 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.893 105.8 56.4 -57.8 -41.4 34.4 -15.8 -3.6 13 261 A E H X S+ 0 0 80 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.905 102.7 54.0 -61.2 -42.0 32.6 -19.1 -3.0 14 262 A V H X S+ 0 0 78 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.895 112.2 45.6 -55.9 -39.8 32.9 -18.8 0.8 15 263 A L H X S+ 0 0 3 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.904 112.9 48.6 -75.0 -38.7 31.3 -15.4 0.5 16 264 A A H X S+ 0 0 13 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.941 109.8 52.6 -62.7 -48.6 28.5 -16.5 -1.9 17 265 A K H X S+ 0 0 83 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.905 107.8 52.3 -54.9 -44.3 27.7 -19.6 0.3 18 266 A A H X S+ 0 0 3 -4,-1.8 4,-1.8 -5,-0.2 -1,-0.2 0.898 110.9 45.9 -60.0 -44.8 27.3 -17.3 3.4 19 267 A Y H <>S+ 0 0 30 -4,-1.8 5,-2.4 2,-0.2 -1,-0.2 0.895 111.6 55.1 -64.5 -39.6 24.9 -15.0 1.5 20 268 A S H ><5S+ 0 0 55 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.940 109.3 43.0 -61.1 -49.6 23.1 -18.1 0.3 21 269 A V H 3<5S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.852 108.8 59.8 -69.2 -29.6 22.4 -19.6 3.7 22 270 A Q T 3<5S- 0 0 80 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.481 119.4-112.5 -74.7 1.4 21.5 -16.2 5.2 23 271 A G T < 5S+ 0 0 33 -3,-1.5 2,-2.2 -4,-0.2 3,-0.2 0.564 74.9 137.5 79.3 8.7 18.7 -16.1 2.6 24 272 A D >< + 0 0 56 -5,-2.4 4,-2.4 1,-0.2 3,-0.3 -0.406 27.2 168.2 -81.9 63.9 20.2 -13.3 0.5 25 273 A K H > + 0 0 130 -2,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.800 64.8 46.0 -49.9 -43.7 19.2 -15.3 -2.6 26 274 A W H > S+ 0 0 180 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.893 112.3 48.4 -76.8 -37.6 19.7 -12.6 -5.2 27 275 A R H > S+ 0 0 123 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.909 111.4 52.7 -66.5 -39.0 23.1 -11.4 -4.0 28 276 A A H X S+ 0 0 12 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.907 107.7 51.2 -61.1 -40.9 24.2 -15.0 -3.8 29 277 A L H X S+ 0 0 23 -4,-1.9 4,-2.5 -5,-0.2 5,-0.3 0.956 106.5 53.9 -60.1 -48.7 23.1 -15.5 -7.4 30 278 A G H X S+ 0 0 33 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.901 110.5 47.8 -52.1 -44.8 25.1 -12.5 -8.5 31 279 A Y H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.942 107.9 54.6 -59.8 -48.6 28.1 -14.0 -6.9 32 280 A A H X S+ 0 0 22 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.908 108.9 48.0 -54.6 -47.1 27.6 -17.4 -8.5 33 281 A K H X S+ 0 0 103 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.913 111.4 50.2 -60.8 -43.5 27.5 -15.9 -12.0 34 282 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.2 0.915 110.4 51.6 -62.0 -39.4 30.7 -13.9 -11.3 35 283 A I H X S+ 0 0 5 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.897 109.6 47.0 -66.3 -42.5 32.3 -17.1 -10.1 36 284 A N H >X S+ 0 0 16 -4,-2.3 4,-1.8 1,-0.2 3,-0.5 0.942 109.5 54.7 -63.2 -43.9 31.5 -19.1 -13.2 37 285 A A H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.865 110.1 48.2 -55.6 -37.2 32.6 -16.3 -15.4 38 286 A L H 3< S+ 0 0 0 -4,-1.7 3,-0.4 1,-0.2 -34,-0.3 0.743 106.7 55.9 -74.1 -28.2 36.0 -16.4 -13.5 39 287 A K H << S+ 0 0 60 -4,-1.4 -35,-0.3 -3,-0.5 -2,-0.2 0.850 111.8 42.3 -73.4 -34.2 36.3 -20.2 -13.9 40 288 A S S < S+ 0 0 80 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.363 83.9 125.5 -96.0 4.8 36.0 -20.1 -17.6 41 289 A F - 0 0 33 -3,-0.4 -37,-0.6 -5,-0.2 -39,-0.1 -0.453 67.7-126.1 -71.5 138.0 38.2 -17.1 -18.2 42 290 A H S S+ 0 0 132 -2,-0.2 -1,-0.1 -39,-0.1 -40,-0.1 0.618 85.7 3.3 -59.2 -13.9 41.1 -17.8 -20.6 43 291 A K S S- 0 0 55 -5,-0.1 -39,-0.1 -38,-0.0 3,-0.1 -0.988 96.0 -67.1-163.5 163.2 43.7 -16.6 -18.1 44 292 A P - 0 0 64 0, 0.0 2,-0.2 0, 0.0 -39,-0.1 -0.388 60.0-111.8 -58.7 133.4 44.2 -15.4 -14.6 45 293 A V + 0 0 0 1,-0.1 3,-0.1 -7,-0.1 -7,-0.0 -0.500 38.6 179.1 -69.1 134.3 42.6 -11.9 -14.3 46 294 A T + 0 0 84 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.485 53.7 36.8-121.6 -5.4 45.3 -9.3 -13.9 47 295 A S > - 0 0 48 1,-0.1 4,-2.6 22,-0.0 3,-0.2 -0.999 68.7-123.0-151.1 149.4 43.6 -6.0 -13.7 48 296 A Y H > S+ 0 0 104 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.891 115.7 51.9 -51.8 -44.1 40.5 -4.2 -12.4 49 297 A Q H > S+ 0 0 164 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.850 107.8 50.5 -68.0 -33.8 39.7 -3.1 -15.9 50 298 A E H >4 S+ 0 0 36 -3,-0.2 3,-0.8 2,-0.2 4,-0.4 0.945 109.3 52.2 -65.5 -46.4 40.0 -6.7 -17.3 51 299 A A H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.867 106.9 53.3 -55.3 -39.5 37.6 -7.9 -14.6 52 300 A C H 3< S+ 0 0 51 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.740 98.9 62.1 -71.6 -23.1 35.0 -5.3 -15.5 53 301 A S T << S+ 0 0 86 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.579 85.8 95.8 -76.5 -9.5 35.0 -6.3 -19.2 54 302 A I S X S- 0 0 9 -3,-1.1 3,-2.0 -4,-0.4 2,-0.3 -0.688 84.1-120.2 -85.1 126.0 33.8 -9.7 -18.1 55 303 A P T 3 S+ 0 0 117 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.539 102.2 32.2 -68.1 125.3 30.0 -10.1 -18.3 56 304 A G T 3 S+ 0 0 50 -2,-0.3 2,-0.5 1,-0.2 -22,-0.2 0.183 103.2 93.7 110.7 -11.9 28.7 -10.9 -14.8 57 305 A I < + 0 0 9 -3,-2.0 -1,-0.2 -6,-0.2 2,-0.2 -0.960 49.0 167.0-121.7 123.4 31.4 -8.8 -13.1 58 306 A G > - 0 0 39 -2,-0.5 4,-3.2 -3,-0.1 5,-0.3 -0.492 53.3 -69.3-120.6-171.0 30.9 -5.2 -12.2 59 307 A K H > S+ 0 0 55 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.933 128.8 46.2 -47.4 -59.5 32.6 -2.5 -10.1 60 308 A R H > S+ 0 0 177 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.853 117.1 43.7 -57.8 -38.2 31.9 -4.1 -6.7 61 309 A M H > S+ 0 0 21 2,-0.2 4,-2.4 -3,-0.2 3,-0.2 0.928 111.6 51.6 -75.6 -46.0 32.9 -7.6 -7.8 62 310 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.915 106.0 58.9 -51.9 -43.6 36.1 -6.5 -9.7 63 311 A E H X S+ 0 0 118 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.912 109.5 41.3 -53.0 -45.8 36.9 -4.7 -6.4 64 312 A K H X S+ 0 0 24 -4,-1.3 4,-1.8 -3,-0.2 -1,-0.2 0.798 112.6 55.3 -75.1 -30.4 36.9 -8.0 -4.5 65 313 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.920 109.9 45.6 -65.4 -46.0 38.7 -9.9 -7.3 66 314 A I H X S+ 0 0 32 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.900 108.3 56.9 -67.7 -38.7 41.5 -7.4 -7.3 67 315 A E H X S+ 0 0 49 -4,-1.8 4,-1.9 -5,-0.3 6,-0.5 0.934 113.0 40.6 -57.9 -44.9 41.8 -7.5 -3.5 68 316 A I H X S+ 0 0 2 -4,-1.8 4,-2.2 3,-0.2 -1,-0.2 0.923 113.3 55.7 -68.6 -40.7 42.2 -11.2 -3.5 69 317 A L H < S+ 0 0 60 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.943 121.7 26.9 -54.4 -52.9 44.5 -11.0 -6.6 70 318 A E H < S+ 0 0 141 -4,-2.9 -1,-0.2 1,-0.1 -2,-0.2 0.608 132.5 35.6 -87.8 -17.1 46.9 -8.6 -4.8 71 319 A S H < S- 0 0 82 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.765 86.9-133.2-105.4 -37.1 46.3 -9.6 -1.2 72 320 A G S < S+ 0 0 25 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.129 83.0 72.2 93.7 -16.2 45.7 -13.3 -1.2 73 321 A H S S- 0 0 59 -6,-0.5 2,-0.5 -62,-0.0 -1,-0.3 -0.835 70.2-138.8-133.5 163.9 42.8 -12.5 1.1 74 322 A L >> - 0 0 1 -2,-0.3 3,-1.5 1,-0.1 4,-0.5 -0.940 12.2-157.3-125.1 107.0 39.3 -11.0 1.2 75 323 A R G >4 S+ 0 0 188 -2,-0.5 3,-1.9 1,-0.3 4,-0.2 0.843 90.0 66.3 -52.2 -39.0 38.7 -8.9 4.3 76 324 A K G >4 S+ 0 0 98 1,-0.3 3,-2.1 2,-0.2 -1,-0.3 0.829 90.1 64.5 -51.6 -39.9 35.0 -9.3 4.1 77 325 A L G X4 S+ 0 0 29 -3,-1.5 3,-1.0 1,-0.3 -1,-0.3 0.769 93.4 62.3 -56.0 -28.5 35.4 -13.1 4.8 78 326 A D G << S+ 0 0 107 -3,-1.9 -1,-0.3 -4,-0.5 -2,-0.2 0.547 101.1 53.8 -76.0 -7.6 36.7 -12.1 8.3 79 327 A H G < S+ 0 0 161 -3,-2.1 2,-0.4 -4,-0.2 -1,-0.2 0.078 72.8 127.3-118.2 20.7 33.3 -10.5 9.1 80 328 A I < - 0 0 51 -3,-1.0 -3,-0.0 1,-0.1 -65,-0.0 -0.672 69.4-100.3 -79.6 131.3 30.9 -13.3 8.4 81 329 A S > - 0 0 55 -2,-0.4 3,-1.8 1,-0.2 -1,-0.1 -0.153 20.3-125.4 -48.0 136.9 28.5 -14.0 11.3 82 330 A E T 3 S+ 0 0 167 1,-0.3 4,-0.4 2,-0.1 -1,-0.2 0.692 107.8 73.4 -54.2 -20.5 29.4 -17.1 13.5 83 331 A S T >> S+ 0 0 14 1,-0.2 4,-2.5 2,-0.1 3,-1.1 0.815 74.0 83.5 -65.1 -29.6 25.8 -18.1 12.6 84 332 A V H <> S+ 0 0 13 -3,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.822 86.1 48.9 -50.6 -49.0 26.7 -19.0 9.0 85 333 A P H 3> S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.795 113.8 47.3 -66.5 -28.0 28.1 -22.6 9.5 86 334 A V H <> S+ 0 0 25 -3,-1.1 4,-2.8 -4,-0.4 5,-0.3 0.897 110.7 51.7 -77.5 -40.2 25.1 -23.6 11.6 87 335 A L H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.924 112.1 48.0 -56.4 -42.1 22.7 -22.1 9.1 88 336 A E H < S+ 0 0 68 -4,-2.7 4,-0.4 -5,-0.3 -2,-0.2 0.919 109.8 52.4 -65.1 -44.1 24.6 -24.1 6.5 89 337 A L H >< S+ 0 0 49 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.963 113.6 42.2 -52.3 -56.0 24.3 -27.2 8.6 90 338 A F H >< S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 -2,-0.2 0.877 112.5 53.3 -65.2 -39.3 20.6 -26.9 9.0 91 339 A S T 3< S+ 0 0 29 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.376 92.0 73.3 -82.7 7.2 19.9 -25.9 5.4 92 340 A N T < S+ 0 0 49 -3,-1.4 2,-0.8 -4,-0.4 -1,-0.3 0.442 76.9 98.9 -84.8 -5.5 21.8 -29.0 4.2 93 341 A I S X S- 0 0 1 -3,-1.4 3,-3.1 -4,-0.2 36,-0.1 -0.748 88.3-117.4 -83.3 111.3 18.7 -30.9 5.3 94 342 A W T 3 S+ 0 0 77 -2,-0.8 34,-0.4 1,-0.3 35,-0.2 -0.233 103.4 25.3 -45.3 128.7 16.5 -31.6 2.3 95 343 A G T 3 S+ 0 0 36 1,-0.3 2,-0.5 -4,-0.1 -1,-0.3 0.195 101.8 100.0 95.1 -14.6 13.2 -29.7 3.0 96 344 A A < + 0 0 10 -3,-3.1 -1,-0.3 -6,-0.1 2,-0.2 -0.910 49.8 173.1-104.7 130.3 14.9 -27.2 5.2 97 345 A G > - 0 0 36 -2,-0.5 4,-2.4 -3,-0.1 5,-0.2 -0.391 51.4 -68.2-119.2-161.5 15.6 -23.8 3.6 98 346 A T H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.877 127.7 52.4 -65.4 -39.5 16.9 -20.5 4.9 99 347 A K H > S+ 0 0 160 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.913 113.8 43.3 -63.5 -41.8 13.8 -19.6 6.9 100 348 A T H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.893 112.8 50.9 -73.3 -40.4 13.8 -22.9 8.8 101 349 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.931 113.8 47.5 -57.7 -44.4 17.6 -22.8 9.4 102 350 A Q H X S+ 0 0 80 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.922 111.4 48.9 -63.2 -48.8 17.1 -19.3 10.7 103 351 A M H X S+ 0 0 78 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.941 111.1 50.2 -57.5 -49.9 14.2 -20.2 12.9 104 352 A W H <>S+ 0 0 1 -4,-2.6 5,-2.0 1,-0.2 -1,-0.2 0.840 111.0 49.4 -58.3 -34.9 16.0 -23.2 14.4 105 353 A Y H ><5S+ 0 0 32 -4,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.893 107.1 54.0 -73.6 -38.6 19.0 -21.0 15.1 106 354 A Q H 3<5S+ 0 0 145 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.715 104.1 57.6 -64.7 -21.2 16.9 -18.4 16.8 107 355 A Q T 3<5S- 0 0 106 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.441 124.6-104.9 -89.6 -0.8 15.5 -21.1 19.0 108 356 A G T < 5 + 0 0 43 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.343 69.8 148.4 94.1 -3.9 19.1 -21.9 20.2 109 357 A F < + 0 0 18 -5,-2.0 -1,-0.3 -6,-0.2 3,-0.1 -0.326 12.0 164.5 -64.4 148.6 19.6 -25.1 18.1 110 358 A R + 0 0 108 1,-0.3 2,-0.3 -21,-0.0 -1,-0.1 0.389 52.4 39.3-146.2 -8.2 23.2 -25.6 17.1 111 359 A S S > S- 0 0 40 1,-0.1 4,-2.1 -22,-0.0 -1,-0.3 -0.968 77.0-111.0-147.0 163.2 23.6 -29.2 15.9 112 360 A L H > S+ 0 0 27 -2,-0.3 4,-3.1 1,-0.2 5,-0.1 0.857 118.5 57.2 -62.7 -35.4 21.8 -31.9 14.0 113 361 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.885 105.8 50.4 -63.9 -37.1 21.4 -33.9 17.2 114 362 A D H >>S+ 0 0 41 2,-0.2 4,-1.1 1,-0.2 5,-0.8 0.957 112.8 46.0 -59.7 -51.9 19.6 -30.9 18.7 115 363 A I H X5S+ 0 0 0 -4,-2.1 4,-1.2 3,-0.2 -2,-0.2 0.919 108.0 58.5 -56.2 -46.8 17.3 -30.7 15.6 116 364 A R H <5S+ 0 0 120 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.927 124.9 15.2 -51.2 -55.2 16.8 -34.5 15.8 117 365 A S H <5S+ 0 0 79 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.965 132.0 36.3 -82.8 -70.0 15.3 -34.4 19.3 118 366 A Q H <5S+ 0 0 128 -4,-1.1 2,-0.2 -5,-0.3 -3,-0.2 0.599 100.8 82.6 -69.0 -15.5 14.3 -30.9 20.4 119 367 A A S < - 0 0 66 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.270 40.3-102.8 -65.6 167.5 8.0 -31.6 8.7 123 371 A T H > S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.905 124.7 49.0 -63.0 -39.2 7.7 -35.0 7.3 124 372 A Q H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.964 109.1 50.7 -63.0 -54.3 10.1 -34.1 4.5 125 373 A Q H > S+ 0 0 11 1,-0.2 4,-2.8 -30,-0.2 -1,-0.2 0.839 107.1 54.8 -53.3 -37.2 12.7 -32.6 6.8 126 374 A A H X S+ 0 0 40 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.913 109.0 47.3 -65.0 -42.5 12.6 -35.7 9.0 127 375 A I H X S+ 0 0 12 -4,-1.6 4,-1.1 -3,-0.3 -2,-0.2 0.899 113.3 50.6 -62.3 -39.3 13.4 -37.8 6.0 128 376 A G H < S+ 0 0 1 -4,-2.5 -34,-0.3 -34,-0.4 -2,-0.2 0.904 110.4 48.2 -62.5 -44.2 16.1 -35.3 5.2 129 377 A L H >< S+ 0 0 5 -4,-2.8 3,-1.6 1,-0.2 4,-0.2 0.913 109.8 49.9 -67.3 -44.4 17.7 -35.4 8.6 130 378 A K H 3< S+ 0 0 125 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.731 118.5 39.5 -72.4 -20.3 17.8 -39.2 8.9 131 379 A H T 3X S+ 0 0 12 -4,-1.1 4,-2.5 -5,-0.2 -1,-0.3 0.047 82.9 125.9-107.9 24.8 19.5 -39.4 5.5 132 380 A Y H <> S+ 0 0 23 -3,-1.6 4,-0.6 1,-0.2 -1,-0.1 0.883 75.3 35.1 -56.0 -51.8 21.7 -36.4 6.2 133 381 A S H >> S+ 0 0 75 -4,-0.2 4,-1.3 2,-0.2 3,-0.7 0.887 115.5 54.7 -71.7 -42.5 25.1 -37.8 5.5 134 382 A D H 34 S+ 0 0 31 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.918 109.0 49.7 -54.6 -42.3 24.1 -40.2 2.7 135 383 A F H 3< S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.664 106.0 57.2 -77.4 -16.3 22.5 -37.2 0.8 136 384 A L H << S+ 0 0 90 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.2 0.770 91.0 83.3 -83.0 -27.6 25.7 -35.2 1.2 137 385 A E S < S- 0 0 102 -4,-1.3 2,-0.3 -3,-0.5 40,-0.0 -0.584 78.4-130.6 -77.4 134.4 28.0 -37.7 -0.5 138 386 A R - 0 0 122 -2,-0.3 40,-0.3 38,-0.0 -2,-0.1 -0.636 27.8-131.6 -76.2 144.4 28.2 -37.7 -4.2 139 387 A M E -A 177 0A 1 38,-3.5 38,-2.7 -2,-0.3 2,-0.1 -0.678 24.8 -93.0 -99.0 153.7 27.7 -41.3 -5.6 140 388 A P E >> -A 176 0A 60 0, 0.0 3,-2.2 0, 0.0 4,-1.5 -0.399 34.9-118.4 -63.7 137.8 29.9 -43.0 -8.2 141 389 A R H 3> S+ 0 0 63 34,-3.1 4,-1.7 1,-0.3 35,-0.1 0.807 114.5 60.2 -44.5 -34.6 28.6 -42.6 -11.7 142 390 A E H 3> S+ 0 0 124 33,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.779 100.4 53.2 -70.8 -28.3 28.2 -46.4 -11.9 143 391 A E H <> S+ 0 0 12 -3,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.847 105.5 54.7 -73.0 -34.2 25.8 -46.4 -9.0 144 392 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.884 107.1 52.3 -61.5 -37.8 23.8 -43.7 -10.9 145 393 A T H X S+ 0 0 48 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.930 109.3 47.4 -63.8 -45.6 23.7 -46.3 -13.8 146 394 A E H X S+ 0 0 81 -4,-1.8 4,-3.0 2,-0.2 5,-0.2 0.967 113.8 48.3 -61.0 -51.5 22.4 -49.1 -11.5 147 395 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.929 112.5 47.1 -52.6 -52.4 19.7 -46.8 -10.1 148 396 A E H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.933 113.4 49.7 -57.1 -44.7 18.6 -45.6 -13.5 149 397 A Q H X S+ 0 0 78 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.885 105.1 56.8 -63.6 -40.4 18.5 -49.2 -14.8 150 398 A T H X S+ 0 0 29 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.914 111.6 44.1 -54.2 -43.8 16.5 -50.3 -11.8 151 399 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.931 113.3 50.4 -67.2 -46.3 13.9 -47.7 -12.7 152 400 A Q H X S+ 0 0 40 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.879 109.7 49.3 -62.0 -41.7 14.0 -48.5 -16.5 153 401 A K H X S+ 0 0 167 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.861 114.1 45.4 -69.2 -34.4 13.6 -52.3 -16.0 154 402 A A H < S+ 0 0 9 -4,-1.4 4,-0.3 -5,-0.3 -1,-0.2 0.785 114.7 50.4 -76.4 -28.0 10.6 -51.8 -13.7 155 403 A A H >X S+ 0 0 1 -4,-2.0 3,-1.5 1,-0.2 4,-1.4 0.909 107.8 50.3 -71.6 -46.3 9.2 -49.2 -16.1 156 404 A Q H 3< S+ 0 0 69 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.650 95.3 72.0 -73.8 -15.8 9.5 -51.3 -19.2 157 405 A A T 3< S+ 0 0 85 -4,-0.7 -1,-0.3 -5,-0.2 3,-0.2 0.724 104.3 41.5 -67.1 -22.9 7.7 -54.2 -17.5 158 406 A F T <4 S- 0 0 77 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.823 142.0 -0.9 -90.0 -40.3 4.5 -52.1 -17.8 159 407 A N >< - 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