==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE/DNA 23-AUG-04 1X9N . COMPND 2 MOLECULE: DIDEOXY TERMINATED DNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.M.PASCAL,P.J.O'BRIEN,A.E.TOMKINSON,T.ELLENBERGER . 632 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 432 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 36 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 3 2 0 1 0 2 0 3 2 3 1 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 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 PARALLEL BRIDGES PER LADDER . 5 4 0 3 1 2 3 0 0 1 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 0 0 1 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 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 1 262 A D > 0 0 140 0, 0.0 3,-1.7 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 119.9 53.0 30.4 82.8 2 263 A P G > + 0 0 35 0, 0.0 3,-1.3 0, 0.0 31,-0.1 0.718 360.0 72.8 -71.5 -21.3 52.3 31.1 79.1 3 264 A S G 3 S+ 0 0 39 1,-0.3 16,-0.0 16,-0.1 0, 0.0 0.769 106.0 39.3 -63.6 -23.3 48.7 31.9 79.9 4 265 A G G < S+ 0 0 56 -3,-1.7 -1,-0.3 15,-0.1 26,-0.0 0.323 86.2 134.2-104.6 5.7 50.1 35.1 81.4 5 266 A Y < - 0 0 5 -3,-1.3 13,-0.1 -4,-0.1 12,-0.0 -0.317 33.5-172.6 -58.9 134.1 52.7 35.6 78.7 6 267 A N > + 0 0 57 11,-0.5 3,-2.2 1,-0.1 -1,-0.1 -0.614 21.1 171.4-140.5 79.5 52.7 39.2 77.5 7 268 A P T 3 S+ 0 0 0 0, 0.0 46,-0.3 0, 0.0 47,-0.1 0.331 81.5 65.4 -68.6 8.9 54.8 40.1 74.5 8 269 A A T 3 S+ 0 0 31 45,-0.1 42,-0.1 2,-0.1 43,-0.0 0.345 80.4 116.5-111.2 -0.6 53.2 43.6 74.5 9 270 A K < - 0 0 55 -3,-2.2 3,-0.4 1,-0.1 2,-0.3 0.116 69.0-103.1 -62.3 175.1 54.7 44.5 77.8 10 271 A N S S+ 0 0 127 1,-0.2 3,-0.2 3,-0.0 -1,-0.1 -0.750 99.9 14.1-101.4 155.2 57.2 47.3 78.6 11 272 A N S S- 0 0 131 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.942 87.4-161.9 42.1 54.2 60.9 46.7 79.1 12 273 A Y - 0 0 17 -3,-0.4 -1,-0.2 -5,-0.1 3,-0.1 -0.553 6.7-157.3 -67.9 119.6 60.4 43.2 77.7 13 274 A H > - 0 0 78 -2,-0.5 4,-3.9 -3,-0.2 5,-0.4 -0.911 8.7-146.8-100.9 109.6 63.3 41.1 78.7 14 275 A P H > S+ 0 0 0 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.871 96.1 37.2 -36.5 -57.9 63.5 38.2 76.2 15 276 A V H 4 S+ 0 0 31 1,-0.2 3,-0.2 2,-0.2 -3,-0.0 0.926 126.2 36.8 -68.3 -43.0 64.8 35.7 78.8 16 277 A E H 4 S+ 0 0 122 1,-0.2 -1,-0.2 3,-0.1 -4,-0.1 0.896 116.8 46.8 -76.5 -48.4 62.8 36.9 81.7 17 278 A D H < S+ 0 0 36 -4,-3.9 -11,-0.5 2,-0.1 -1,-0.2 0.428 92.0 102.8 -85.0 2.7 59.5 37.8 80.1 18 279 A A < - 0 0 15 -4,-0.5 -3,-0.0 -5,-0.4 36,-0.0 -0.317 64.1-148.9 -72.4 165.6 59.5 34.5 78.2 19 280 A C + 0 0 22 -2,-0.1 2,-0.3 2,-0.1 -14,-0.1 0.069 67.2 64.3-134.7 24.6 57.2 31.9 79.5 20 281 A W S S- 0 0 21 -19,-0.1 -2,-0.1 -18,-0.1 6,-0.1 -0.867 85.1 -90.2-136.2 177.6 59.0 28.7 78.6 21 282 A K > - 0 0 146 -2,-0.3 3,-2.5 4,-0.2 -2,-0.1 -0.650 47.8 -94.0 -95.9 142.4 62.3 27.0 79.5 22 283 A P T 3 S+ 0 0 66 0, 0.0 40,-0.2 0, 0.0 -1,-0.1 -0.193 111.4 8.5 -53.5 141.7 65.6 27.5 77.6 23 284 A G T 3 S+ 0 0 73 38,-2.9 2,-0.1 1,-0.2 39,-0.1 0.460 107.2 117.9 63.5 -0.5 66.1 24.9 74.9 24 285 A Q S < S- 0 0 82 -3,-2.5 2,-0.3 37,-0.1 -1,-0.2 -0.459 75.9 -81.2 -92.5 173.4 62.6 23.7 75.5 25 286 A K - 0 0 108 -2,-0.1 -4,-0.2 -3,-0.1 -1,-0.1 -0.591 43.2-113.0 -85.1 129.9 59.8 23.7 72.9 26 287 A V - 0 0 0 -2,-0.3 107,-2.8 36,-0.2 108,-0.8 -0.423 32.4-129.2 -63.4 126.0 57.9 26.9 72.2 27 288 A P B >> -A 132 0A 14 0, 0.0 4,-1.3 0, 0.0 3,-1.1 -0.554 4.4-135.8 -75.2 133.8 54.3 26.6 73.3 28 289 A Y H 3> S+ 0 0 1 103,-2.0 4,-2.4 -2,-0.3 5,-0.2 0.871 105.3 66.5 -53.2 -37.0 51.5 27.5 70.9 29 290 A L H 3> S+ 0 0 12 102,-0.8 4,-2.5 1,-0.3 -1,-0.3 0.835 98.0 53.4 -58.4 -33.9 49.8 29.3 73.8 30 291 A A H <> S+ 0 0 0 -3,-1.1 4,-1.9 2,-0.2 -1,-0.3 0.942 109.3 47.8 -62.6 -47.0 52.7 31.7 73.7 31 292 A V H X S+ 0 0 0 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.807 114.5 46.5 -62.9 -32.9 52.1 32.3 70.0 32 293 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.905 107.7 53.9 -78.7 -41.9 48.4 32.8 70.5 33 294 A R H X S+ 0 0 42 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.880 110.8 49.6 -59.3 -35.5 48.8 35.1 73.5 34 295 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.960 108.8 50.3 -63.5 -55.4 51.1 37.2 71.2 35 296 A F H X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.867 110.0 53.4 -46.3 -47.1 48.4 37.2 68.4 36 297 A E H X S+ 0 0 36 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.930 108.4 48.0 -54.0 -50.5 46.0 38.3 71.0 37 298 A K H < S+ 0 0 61 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.821 112.1 49.7 -66.6 -30.5 48.2 41.2 72.0 38 299 A I H >< S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.2 -1,-0.2 0.942 109.0 50.0 -72.2 -49.6 48.7 42.3 68.4 39 300 A E H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 97.7 70.7 -61.8 -22.7 45.1 42.3 67.5 40 301 A E T 3< S+ 0 0 126 -4,-1.3 -1,-0.3 -5,-0.2 2,-0.3 0.654 101.3 63.6 -62.1 -10.2 44.5 44.4 70.7 41 302 A V < - 0 0 56 -3,-2.4 -3,-0.0 1,-0.1 0, 0.0 -0.794 53.9-166.2-132.4 155.1 46.2 47.1 68.7 42 303 A S + 0 0 119 -2,-0.3 -1,-0.1 5,-0.0 2,-0.1 0.826 65.9 95.9-101.6 -46.6 46.1 49.4 65.7 43 304 A A > - 0 0 54 1,-0.2 4,-2.7 2,-0.1 5,-0.1 -0.283 59.2-156.6 -51.6 116.4 49.6 50.8 65.5 44 305 A R H > S+ 0 0 180 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.871 95.6 56.6 -63.7 -34.9 51.5 48.6 63.0 45 306 A L H > S+ 0 0 124 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.866 107.8 45.4 -65.5 -39.7 54.6 49.8 64.7 46 307 A R H > S+ 0 0 57 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.937 112.2 53.0 -68.1 -45.5 53.4 48.5 68.1 47 308 A X H X S+ 0 0 9 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.852 108.7 48.6 -56.7 -37.4 52.3 45.3 66.5 48 309 A V H X S+ 0 0 12 -4,-2.1 4,-3.4 1,-0.2 -1,-0.2 0.923 109.1 53.3 -72.5 -39.3 55.7 44.6 64.9 49 310 A E H X S+ 0 0 72 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.852 109.2 49.4 -61.7 -40.1 57.4 45.3 68.2 50 311 A T H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 3,-0.5 0.959 111.7 46.8 -64.3 -53.0 55.2 42.8 69.9 51 312 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.3 3,-0.4 0.940 108.7 57.7 -53.1 -46.4 55.8 40.1 67.3 52 313 A S H X S+ 0 0 0 -4,-3.4 4,-3.1 1,-0.2 -1,-0.3 0.862 101.6 56.9 -47.0 -41.2 59.5 41.0 67.6 53 314 A N H X S+ 0 0 4 -4,-1.4 4,-1.5 -3,-0.5 -1,-0.2 0.900 108.1 43.6 -64.6 -42.4 59.3 40.2 71.3 54 315 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 -3,-0.4 3,-0.2 0.957 115.1 52.2 -65.5 -45.9 58.1 36.7 70.9 55 316 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.886 106.3 51.6 -53.7 -48.6 60.7 36.3 68.1 56 317 A R H X S+ 0 0 14 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.851 111.5 48.2 -62.7 -34.7 63.6 37.5 70.3 57 318 A S H X S+ 0 0 0 -4,-1.5 4,-3.2 -5,-0.2 5,-0.4 0.908 110.1 51.7 -71.5 -40.2 62.6 35.0 72.9 58 319 A V H X S+ 0 0 0 -4,-2.7 4,-3.1 3,-0.2 7,-0.3 0.938 115.0 42.9 -56.2 -48.3 62.4 32.2 70.3 59 320 A V H < S+ 0 0 5 -4,-2.8 -2,-0.2 2,-0.2 146,-0.2 0.996 120.1 41.0 -60.5 -64.1 65.9 33.1 69.0 60 321 A A H < S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.873 131.4 25.6 -51.5 -43.5 67.4 33.5 72.4 61 322 A L H < S+ 0 0 7 -4,-3.2 -38,-2.9 -5,-0.2 -3,-0.2 0.814 136.5 6.3 -94.9 -34.6 65.6 30.5 73.9 62 323 A S >< + 0 0 6 -4,-3.1 3,-3.1 -5,-0.4 4,-0.3 -0.303 58.2 178.1-159.0 55.7 64.7 28.0 71.2 63 324 A P G > S+ 0 0 54 0, 0.0 3,-1.8 0, 0.0 4,-0.4 0.712 77.9 63.7 -47.5 -41.6 66.1 28.8 67.7 64 325 A P G 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -5,-0.1 0.589 98.8 58.2 -59.8 -11.2 64.8 25.7 65.9 65 326 A D G <> S+ 0 0 11 -3,-3.1 4,-3.2 -7,-0.3 5,-0.3 0.601 80.3 87.6 -93.0 -13.6 61.3 27.0 66.6 66 327 A L H <> S+ 0 0 0 -3,-1.8 4,-3.4 -4,-0.3 5,-0.2 0.913 87.6 50.6 -52.9 -47.4 61.7 30.3 64.8 67 328 A L H > S+ 0 0 40 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.951 112.6 44.2 -57.6 -58.0 60.7 28.8 61.5 68 329 A P H > S+ 0 0 18 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.941 114.4 50.9 -50.8 -51.3 57.5 27.2 62.7 69 330 A V H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.934 111.0 48.4 -57.9 -43.6 56.7 30.4 64.7 70 331 A L H X S+ 0 0 3 -4,-3.4 4,-2.2 -5,-0.3 5,-0.2 0.962 112.3 47.8 -58.3 -50.6 57.2 32.5 61.6 71 332 A Y H X>S+ 0 0 8 -4,-2.9 5,-1.6 1,-0.2 4,-1.1 0.901 110.1 54.1 -60.7 -40.3 55.1 30.2 59.4 72 333 A L H ><5S+ 0 0 4 -4,-3.0 3,-1.1 -5,-0.2 -1,-0.2 0.965 110.8 43.4 -56.9 -55.7 52.4 30.3 62.0 73 334 A S H 3<5S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.784 117.6 47.4 -61.5 -26.6 52.2 34.1 62.2 74 335 A L H 3<5S- 0 0 23 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.629 105.3-135.7 -83.8 -14.0 52.3 34.2 58.3 75 336 A N T <<5 + 0 0 40 -4,-1.1 2,-0.3 -3,-1.1 -3,-0.2 0.953 58.9 126.8 47.8 59.0 49.7 31.5 58.2 76 337 A H < - 0 0 109 -5,-1.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.994 61.1-139.1-139.3 147.3 51.5 29.4 55.5 77 338 A L S S- 0 0 24 -2,-0.3 8,-0.1 7,-0.2 -6,-0.1 0.706 71.2 -69.4 -77.6 -20.2 52.5 25.7 55.3 78 339 A G S S+ 0 0 17 6,-0.1 -1,-0.2 -7,-0.1 5,-0.1 -0.987 86.9 2.5 161.9-158.7 55.8 26.5 53.7 79 340 A P > - 0 0 3 0, 0.0 3,-1.9 0, 0.0 4,-0.5 -0.352 60.5-125.9 -63.5 139.5 57.6 27.8 50.5 80 341 A P G > S+ 0 0 38 0, 0.0 3,-2.1 0, 0.0 245,-0.3 0.869 107.2 54.7 -51.3 -48.4 55.3 28.9 47.7 81 342 A Q G 3 S+ 0 0 42 1,-0.3 243,-0.1 243,-0.2 242,-0.1 0.408 97.4 64.9 -74.4 0.7 57.0 26.6 45.1 82 343 A Q G < S- 0 0 96 -3,-1.9 -1,-0.3 2,-0.1 242,-0.1 0.596 93.1-153.7 -89.6 -14.6 56.4 23.6 47.3 83 344 A G < + 0 0 35 -3,-2.1 2,-0.3 -4,-0.5 -2,-0.1 0.860 20.6 177.3 42.9 57.6 52.7 24.2 46.8 84 345 A L - 0 0 43 -5,-0.4 2,-0.4 -4,-0.0 -7,-0.2 -0.653 9.9-160.5 -82.8 145.0 51.3 22.7 49.9 85 346 A E - 0 0 132 59,-0.3 0, 0.0 -2,-0.3 0, 0.0 -0.966 24.4-149.0-136.7 125.5 47.5 23.0 50.4 86 347 A L - 0 0 31 -2,-0.4 -1,-0.2 1,-0.1 3,-0.1 0.919 25.8-165.4 -47.1 -53.3 45.4 22.7 53.5 87 348 A G + 0 0 52 1,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.500 45.1 123.8 73.4 -0.4 42.6 21.3 51.4 88 349 A V - 0 0 19 90,-0.1 -1,-0.4 67,-0.1 2,-0.2 -0.695 48.0-158.3 -71.6 145.6 40.2 21.9 54.2 89 350 A G > - 0 0 35 -2,-0.3 4,-1.8 -3,-0.1 5,-0.1 -0.475 35.0 -91.8-101.9-170.0 37.4 24.1 53.0 90 351 A D H > S+ 0 0 64 -2,-0.2 4,-3.8 2,-0.2 5,-0.1 0.981 125.7 48.1 -56.9 -61.8 35.1 26.2 55.1 91 352 A G H > S+ 0 0 14 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.803 111.1 48.8 -55.6 -37.9 32.5 23.4 55.3 92 353 A V H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.977 114.1 46.7 -65.1 -54.8 35.0 20.7 56.3 93 354 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.947 111.4 55.2 -47.4 -49.9 36.4 23.1 58.9 94 355 A L H X S+ 0 0 11 -4,-3.8 4,-2.5 2,-0.2 -2,-0.2 0.915 109.2 42.9 -49.5 -58.8 32.8 23.7 59.9 95 356 A K H X S+ 0 0 85 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.930 110.8 57.1 -58.9 -47.0 31.9 20.0 60.5 96 357 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.957 110.0 46.2 -40.6 -59.7 35.2 19.5 62.3 97 358 A V H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.946 109.4 51.1 -52.2 -59.6 34.1 22.3 64.6 98 359 A A H X>S+ 0 0 6 -4,-2.5 5,-2.8 1,-0.2 4,-0.6 0.863 111.0 51.8 -48.7 -43.8 30.6 21.1 65.2 99 360 A Q H ><5S+ 0 0 127 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.980 112.0 43.8 -52.9 -62.2 32.0 17.7 66.1 100 361 A A H 3<5S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.777 115.1 48.8 -58.0 -30.2 34.5 19.0 68.6 101 362 A T H 3<5S- 0 0 39 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.537 107.5-122.4 -87.2 -6.6 32.0 21.4 70.3 102 363 A G T <<5S+ 0 0 68 -3,-1.5 2,-0.2 -4,-0.6 -3,-0.2 0.918 73.2 126.8 55.8 43.6 29.4 18.7 70.6 103 364 A R < - 0 0 85 -5,-2.8 2,-0.4 -6,-0.2 -1,-0.2 -0.761 65.3 -99.8-118.0 169.2 27.1 21.0 68.5 104 365 A Q > - 0 0 153 -2,-0.2 4,-2.1 1,-0.1 5,-0.3 -0.775 32.2-114.7 -95.2 141.1 25.1 20.4 65.3 105 366 A L H > S+ 0 0 59 -2,-0.4 4,-2.8 1,-0.2 5,-0.1 0.753 114.0 51.1 -39.7 -39.1 26.5 21.6 61.9 106 367 A E H > S+ 0 0 122 2,-0.2 4,-3.6 3,-0.2 5,-0.3 0.993 108.9 44.6 -65.0 -64.8 23.6 24.0 61.6 107 368 A S H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.916 120.7 43.3 -49.2 -50.5 23.8 25.8 64.9 108 369 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.976 114.7 50.6 -52.7 -60.2 27.6 26.0 64.5 109 370 A R H X S+ 0 0 96 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.878 111.2 48.0 -42.6 -54.3 27.2 27.0 60.8 110 371 A A H X S+ 0 0 53 -4,-3.6 4,-2.8 2,-0.2 5,-0.2 0.966 110.7 50.6 -54.4 -57.4 24.7 29.8 61.7 111 372 A E H X S+ 0 0 50 -4,-2.5 4,-3.0 -5,-0.3 5,-0.3 0.877 111.9 47.0 -53.0 -45.6 26.8 31.2 64.4 112 373 A A H X>S+ 0 0 10 -4,-2.5 4,-1.6 2,-0.2 5,-0.5 0.932 112.4 49.5 -62.4 -48.2 29.9 31.4 62.2 113 374 A A H <5S+ 0 0 48 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.940 118.8 39.3 -54.8 -48.0 28.0 33.0 59.3 114 375 A E H <5S+ 0 0 107 -4,-2.8 391,-0.5 1,-0.2 -2,-0.2 0.956 118.3 43.1 -72.5 -52.9 26.5 35.6 61.6 115 376 A K H <5S- 0 0 95 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.716 99.7-140.4 -67.2 -17.9 29.4 36.4 63.9 116 377 A G T <5S+ 0 0 11 -4,-1.6 385,-1.4 -5,-0.3 2,-0.3 0.658 73.2 88.6 69.2 19.4 31.5 36.4 60.7 117 378 A D >>< - 0 0 25 -5,-0.5 3,-1.3 -6,-0.3 4,-0.8 -0.877 58.7-161.8-154.2 110.0 34.3 34.6 62.5 118 379 A V H >> S+ 0 0 11 -2,-0.3 4,-0.8 1,-0.3 3,-0.5 0.880 85.1 77.3 -61.9 -36.9 34.7 30.9 62.9 119 380 A G H 34 S+ 0 0 0 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.656 94.2 47.5 -45.4 -28.5 37.1 31.4 65.8 120 381 A L H X4 S+ 0 0 79 -3,-1.3 3,-0.8 2,-0.2 -1,-0.2 0.866 107.6 50.7 -89.8 -37.7 34.3 32.2 68.2 121 382 A V H << S+ 0 0 2 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.606 101.7 74.1 -63.3 -9.8 32.0 29.3 67.4 122 383 A A T 3< 0 0 10 -4,-0.8 -1,-0.2 -10,-0.0 -2,-0.2 0.818 360.0 360.0 -79.5 -33.8 35.3 27.4 67.9 123 384 A E < 0 0 107 -3,-0.8 -2,-0.1 -4,-0.4 -3,-0.1 0.759 360.0 360.0 -97.5 360.0 35.4 27.7 71.8 124 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 125 393 A X 0 0 245 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.3 37.9 14.5 81.3 126 394 A L - 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.829 360.0-160.3-116.0 93.0 41.7 14.3 80.6 127 395 A P - 0 0 71 0, 0.0 38,-0.1 0, 0.0 37,-0.0 -0.403 27.1-101.6 -71.4 145.9 43.0 16.8 78.0 128 396 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.129 51.2 -73.2 -54.3 173.3 46.3 16.2 76.2 129 397 A P S S- 0 0 104 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.421 74.1 -71.0 -69.4 157.6 49.5 17.9 77.1 130 398 A P - 0 0 76 0, 0.0 2,-0.2 0, 0.0 36,-0.1 -0.042 57.1 -95.5 -62.7 150.2 49.6 21.6 76.0 131 399 A L - 0 0 22 34,-0.3 -103,-2.0 -3,-0.1 -102,-0.8 -0.435 35.6-143.3 -73.4 131.3 49.9 22.5 72.4 132 400 A T B > -A 27 0A 36 -105,-0.3 4,-2.6 -2,-0.2 5,-0.2 -0.739 13.4-132.6 -92.7 139.7 53.4 23.2 71.1 133 401 A A H > S+ 0 0 0 -107,-2.8 4,-1.5 -2,-0.3 -1,-0.1 0.934 111.5 44.7 -52.8 -48.3 54.1 25.9 68.5 134 402 A S H > S+ 0 0 21 -108,-0.8 4,-1.7 1,-0.2 -1,-0.2 0.849 112.3 52.3 -65.6 -37.3 56.1 23.4 66.5 135 403 A G H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 105.0 54.6 -67.2 -41.7 53.6 20.6 66.8 136 404 A V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.929 107.8 49.5 -60.1 -46.9 50.7 22.7 65.6 137 405 A F H X S+ 0 0 27 -4,-1.5 4,-2.9 1,-0.2 -1,-0.2 0.909 110.8 48.6 -62.7 -44.9 52.5 23.6 62.4 138 406 A S H X S+ 0 0 50 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.877 108.4 53.9 -66.0 -35.9 53.4 20.1 61.6 139 407 A K H X S+ 0 0 78 -4,-2.3 4,-2.6 2,-0.2 3,-0.3 0.925 108.9 50.3 -61.5 -43.0 49.8 19.0 62.3 140 408 A F H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.3 -2,-0.2 0.973 109.2 50.6 -55.1 -52.9 48.8 21.6 59.7 141 409 A R H X S+ 0 0 46 -4,-2.9 4,-1.1 1,-0.2 -1,-0.3 0.735 108.5 54.3 -58.2 -22.3 51.4 20.2 57.3 142 410 A D H >X S+ 0 0 64 -4,-1.2 4,-1.7 -3,-0.3 3,-0.6 0.961 104.6 51.1 -76.1 -51.4 49.8 16.8 58.0 143 411 A I H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.936 111.3 50.2 -43.6 -53.8 46.3 17.9 57.1 144 412 A A H 3< S+ 0 0 5 -4,-2.3 -59,-0.3 1,-0.3 -1,-0.3 0.817 106.6 54.1 -57.0 -35.0 47.7 19.3 53.8 145 413 A R H << S+ 0 0 124 -4,-1.1 2,-1.2 -3,-0.6 -1,-0.3 0.820 84.4 96.3 -74.5 -29.8 49.5 16.1 53.0 146 414 A L << + 0 0 41 -4,-1.7 2,-0.2 -3,-0.8 9,-0.1 -0.450 56.7 149.4 -65.0 92.6 46.3 14.1 53.3 147 415 A T + 0 0 109 -2,-1.2 -2,-0.1 2,-0.0 -3,-0.0 -0.485 24.5 41.8-117.1-171.5 45.1 13.8 49.8 148 416 A G S > S- 0 0 54 -2,-0.2 3,-1.5 2,-0.1 4,-0.2 -0.022 95.9 -3.1 66.1-171.3 43.1 11.4 47.6 149 417 A S T 3 S+ 0 0 118 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.144 129.5 1.0 -62.6 140.0 40.0 9.5 48.4 150 418 A A T >> S+ 0 0 77 1,-0.1 4,-1.0 3,-0.0 3,-0.6 0.437 90.9 126.2 66.2 2.6 38.5 9.5 51.9 151 419 A S H <> + 0 0 13 -3,-1.5 4,-2.8 1,-0.2 5,-0.1 0.750 56.5 70.5 -63.3 -25.1 41.2 11.9 52.9 152 420 A T H 3> S+ 0 0 68 2,-0.2 4,-2.9 -4,-0.2 -1,-0.2 0.912 95.6 49.3 -59.5 -49.8 38.7 14.5 54.2 153 421 A A H <> S+ 0 0 61 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.903 111.7 51.6 -57.5 -41.8 37.6 12.5 57.2 154 422 A K H X S+ 0 0 115 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.951 109.0 49.7 -56.6 -51.0 41.3 12.0 58.0 155 423 A K H X S+ 0 0 13 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.921 110.5 50.6 -53.0 -46.3 41.7 15.8 57.7 156 424 A I H X S+ 0 0 16 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.903 102.9 61.6 -59.2 -42.3 38.8 16.3 60.1 157 425 A D H X S+ 0 0 111 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.930 106.7 43.2 -50.8 -54.5 40.3 13.8 62.6 158 426 A I H X S+ 0 0 28 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.925 111.5 53.5 -60.7 -48.1 43.4 16.0 63.1 159 427 A I H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.963 109.9 47.9 -51.0 -54.7 41.5 19.3 63.3 160 428 A K H X S+ 0 0 94 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.903 112.1 50.7 -55.8 -42.9 39.2 17.9 66.0 161 429 A G H X S+ 0 0 18 -4,-2.2 4,-1.8 -5,-0.3 5,-0.2 0.984 109.0 50.1 -53.9 -63.2 42.2 16.6 67.9 162 430 A L H X S+ 0 0 2 -4,-2.9 4,-1.2 1,-0.2 3,-0.3 0.874 112.2 50.4 -37.9 -51.1 43.9 20.0 67.6 163 431 A F H >< S+ 0 0 18 -4,-3.1 3,-1.0 1,-0.2 -1,-0.2 0.950 107.8 48.8 -57.2 -54.0 40.7 21.5 69.0 164 432 A V H 3< S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 111.2 54.6 -61.2 -21.8 40.3 19.2 72.0 165 433 A A H 3< S+ 0 0 8 -4,-1.8 -34,-0.3 -3,-0.3 -1,-0.3 0.767 82.5 113.2 -80.7 -29.6 43.9 19.9 72.8 166 434 A C << - 0 0 25 -4,-1.2 -3,-0.0 -3,-1.0 3,-0.0 -0.107 47.4-165.8 -56.3 142.9 43.4 23.7 72.8 167 435 A R - 0 0 117 -36,-0.0 -1,-0.1 -40,-0.0 2,-0.1 0.863 60.0 -22.5-107.6 -44.5 43.9 25.4 76.2 168 436 A H S > S- 0 0 100 -45,-0.0 3,-0.6 0, 0.0 4,-0.2 0.099 126.2 -14.0-129.9-109.8 42.6 28.9 76.2 169 437 A S T 3> S+ 0 0 3 1,-0.2 4,-1.4 2,-0.1 3,-0.2 0.412 105.7 102.6 -76.0 -3.2 42.1 31.1 73.2 170 438 A E H 3> S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.924 72.8 62.2 -45.0 -51.1 44.2 28.7 71.2 171 439 A A H <> S+ 0 0 8 -3,-0.6 4,-3.2 1,-0.2 -1,-0.2 0.896 101.0 47.7 -38.0 -66.0 41.0 27.4 69.7 172 440 A R H > S+ 0 0 52 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.848 114.1 47.3 -51.6 -42.0 40.0 30.6 68.0 173 441 A F H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.4 -1,-0.2 0.916 112.8 47.4 -70.1 -44.6 43.4 31.1 66.5 174 442 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 -5,-0.2 5,-0.3 0.903 112.4 52.7 -58.4 -41.7 43.7 27.6 65.3 175 443 A A H X S+ 0 0 0 -4,-3.2 4,-3.1 -5,-0.3 -2,-0.2 0.977 110.5 45.8 -57.7 -55.5 40.1 28.0 63.9 176 444 A R H <>S+ 0 0 28 -4,-2.8 5,-2.5 1,-0.2 4,-0.3 0.896 108.8 56.3 -56.6 -42.2 41.0 31.1 62.0 177 445 A S H ><5S+ 0 0 5 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.933 113.5 39.0 -56.0 -49.5 44.2 29.6 60.6 178 446 A L H 3<5S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.883 109.5 61.4 -68.9 -42.5 42.4 26.7 59.0 179 447 A S T 3<5S- 0 0 19 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.532 111.6-126.4 -55.7 -7.0 39.6 29.0 58.1 180 448 A G T < 5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.716 86.6 101.5 65.1 16.0 42.3 30.8 56.0 181 449 A R < + 0 0 96 -5,-2.5 -4,-0.2 -6,-0.2 -3,-0.1 -0.370 33.2 154.8-133.9 61.4 41.2 33.9 57.8 182 450 A L - 0 0 15 -5,-0.2 -5,-0.1 -6,-0.2 -1,-0.1 0.825 28.2-162.6 -54.5 -46.8 43.7 34.7 60.6 183 451 A R + 0 0 126 -3,-0.1 -1,-0.1 -7,-0.1 -2,-0.0 0.678 34.7 145.8 70.3 23.7 43.0 38.4 60.7 184 452 A L - 0 0 10 2,-0.2 3,-0.1 -111,-0.1 -1,-0.1 0.894 56.5-129.6 -56.8 -48.5 46.3 39.2 62.5 185 453 A G S S+ 0 0 56 1,-0.2 2,-0.4 -146,-0.0 -1,-0.1 0.287 82.1 84.4 107.3 -5.8 46.9 42.6 60.8 186 454 A L + 0 0 9 -113,-0.2 -1,-0.2 -139,-0.1 -2,-0.2 -0.998 49.3 158.9-128.7 131.8 50.5 41.7 60.0 187 455 A A > - 0 0 67 -2,-0.4 4,-2.8 -3,-0.1 5,-0.3 -0.336 60.9 -34.0-126.1-149.8 51.5 39.7 56.9 188 456 A E H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.797 131.6 45.2 -44.8 -56.3 54.8 39.3 54.9 189 457 A Q H > S+ 0 0 107 1,-0.2 4,-3.6 2,-0.2 -1,-0.2 0.964 118.9 40.8 -52.3 -59.9 56.2 42.8 55.3 190 458 A S H > S+ 0 0 12 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.861 116.0 48.1 -62.6 -41.7 55.5 43.2 59.0 191 459 A V H X S+ 0 0 4 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.934 114.0 48.7 -66.7 -40.2 56.5 39.7 59.9 192 460 A L H X S+ 0 0 9 -4,-2.8 4,-2.6 -5,-0.3 3,-0.4 0.989 113.3 48.4 -55.1 -65.3 59.7 40.3 57.9 193 461 A A H X S+ 0 0 24 -4,-3.6 4,-2.5 1,-0.2 -2,-0.2 0.860 111.4 48.8 -26.9 -58.5 60.0 43.5 59.8 194 462 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.883 110.5 51.4 -67.5 -35.6 59.5 41.8 63.1 195 463 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 -3,-0.4 5,-0.3 0.946 109.6 49.4 -63.0 -49.2 62.0 39.1 62.3 196 464 A S H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.940 112.8 47.6 -57.2 -51.3 64.7 41.6 61.3 197 465 A Q H X S+ 0 0 27 -4,-2.5 4,-2.3 2,-0.2 3,-0.3 0.927 112.5 48.4 -51.0 -54.0 64.1 43.6 64.5 198 466 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 3,-0.3 0.950 113.3 45.9 -57.2 -51.5 64.3 40.5 66.7 199 467 A V H < S+ 0 0 6 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.759 116.0 48.4 -67.1 -23.1 67.4 39.2 65.1 200 468 A S H < S+ 0 0 9 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.744 115.2 41.4 -86.3 -29.0 68.9 42.7 65.4 201 469 A L H < S+ 0 0 5 -4,-2.3 14,-2.0 -3,-0.3 -2,-0.2 0.818 131.2 22.9 -88.9 -34.0 68.0 43.4 69.0 202 470 A T S < S- 0 0 0 -4,-2.7 -1,-0.3 -5,-0.3 11,-0.1 -0.775 90.5-147.4-136.6 86.9 68.9 39.9 70.3 203 471 A P > - 0 0 39 0, 0.0 3,-0.5 0, 0.0 9,-0.1 -0.127 11.4-118.3 -65.4 149.2 71.3 38.3 68.0 204 472 A P T 3 S+ 0 0 26 0, 0.0 -144,-0.1 0, 0.0 -145,-0.0 -0.297 88.2 53.5 -72.7 165.3 71.5 34.6 67.3 205 473 A G T 3 S+ 0 0 81 1,-0.3 2,-0.4 -146,-0.2 -145,-0.0 0.394 72.1 133.6 95.3 -2.9 74.6 32.6 68.1 206 474 A Q < - 0 0 54 -3,-0.5 -1,-0.3 6,-0.1 -4,-0.0 -0.641 58.7-118.8 -87.9 134.3 75.0 33.5 71.7 207 475 A E - 0 0 185 -2,-0.4 4,-0.3 2,-0.1 -1,-0.1 -0.385 64.7 -53.8 -59.4 151.6 75.8 31.0 74.5 208 476 A F S S+ 0 0 93 2,-0.1 -1,-0.1 1,-0.1 -147,-0.0 -0.620 123.7 27.7 -96.1 142.9 72.9 31.1 77.0 209 477 A P S S- 0 0 79 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.583 100.6-116.0 -83.9 157.4 71.8 33.2 78.4 210 478 A P - 0 0 13 0, 0.0 -2,-0.1 0, 0.0 -195,-0.1 -0.186 13.7-154.0 -65.7 130.7 72.6 35.8 75.8 211 479 A A S S+ 0 0 101 -4,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.263 88.6 56.3 -83.4 10.9 75.0 38.5 77.0 212 480 A X + 0 0 77 -9,-0.1 -1,-0.2 1,-0.1 3,-0.2 -0.820 58.0 152.3-148.1 100.9 73.5 40.9 74.4 213 481 A V S S+ 0 0 39 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.638 71.3 27.2-115.9 -20.8 69.8 41.3 74.8 214 482 A D > + 0 0 44 -201,-0.1 3,-1.7 1,-0.1 -1,-0.2 -0.692 54.1 179.8-147.8 83.9 69.1 44.7 73.5 215 483 A A T 3 S+ 0 0 37 -14,-2.0 -14,-0.1 1,-0.3 -13,-0.1 0.615 83.4 64.9 -58.2 -11.6 71.5 45.9 70.8 216 484 A G T > + 0 0 0 -15,-0.2 3,-1.9 2,-0.1 -1,-0.3 0.625 69.8 128.3 -89.6 -14.3 69.4 49.1 70.7 217 485 A K T < S+ 0 0 175 -3,-1.7 3,-0.1 1,-0.2 -3,-0.0 -0.140 75.4 17.1 -43.6 121.5 70.1 50.2 74.3 218 486 A G T 3 S+ 0 0 75 1,-0.5 -1,-0.2 0, 0.0 2,-0.1 -0.039 92.8 116.7 104.7 -35.1 71.3 53.8 74.3 219 487 A K S < S- 0 0 86 -3,-1.9 -1,-0.5 1,-0.1 -3,-0.0 -0.454 71.1-118.5 -55.7 136.2 70.1 54.8 70.9 220 488 A T > - 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