==== 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 TRANSFERASE 17-AUG-05 2AQ4 . COMPND 2 MOLECULE: 5'-D(*AP*TP*CP*CP*TP*CP*CP*CP*CP*TP*AP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR D.T.NAIR,R.E.JOHNSON,L.PRAKASH,S.PRAKASH,A.K.AGGARWAL . 428 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21812.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 14.0 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 141 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 3 1 1 4 0 1 1 0 0 0 1 0 2 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 1 0 0 2 1 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 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 1 305 A K 0 0 154 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-179.5 35.3 42.7 41.9 2 306 A R - 0 0 247 2,-0.1 3,-0.1 1,-0.0 2,-0.0 0.884 360.0-109.0 71.0 102.9 38.5 44.4 40.4 3 307 A I - 0 0 111 1,-0.1 2,-0.3 12,-0.0 8,-0.1 -0.293 28.7-111.2 -70.8 139.6 38.1 48.0 39.4 4 308 A V - 0 0 40 7,-0.1 -1,-0.1 6,-0.1 2,-0.1 -0.520 37.8-127.6 -70.3 130.9 37.9 48.9 35.7 5 309 A A > - 0 0 54 -2,-0.3 3,-2.0 1,-0.1 6,-0.3 -0.368 18.5-106.7 -79.4 161.1 41.0 50.9 34.8 6 310 A C T 3 S+ 0 0 6 315,-0.6 -1,-0.1 1,-0.3 6,-0.1 0.512 115.9 59.1 -63.6 -9.6 41.1 54.3 33.0 7 311 A D T 3 S+ 0 0 83 316,-0.1 -1,-0.3 4,-0.1 -2,-0.0 0.262 85.9 100.6-105.7 6.1 42.2 52.8 29.7 8 312 A D S X S- 0 0 55 -3,-2.0 3,-2.4 1,-0.1 4,-0.3 -0.796 80.0-125.1 -90.7 138.5 39.2 50.6 29.5 9 313 A P T 3 S+ 0 0 95 0, 0.0 3,-0.3 0, 0.0 4,-0.2 0.767 108.8 48.7 -52.1 -29.3 36.3 51.6 27.2 10 314 A D T 3> S+ 0 0 89 1,-0.2 4,-2.2 2,-0.1 5,-0.2 0.340 74.2 110.0-104.6 25.6 34.0 51.3 30.1 11 315 A F H <> S+ 0 0 8 -3,-2.4 4,-3.2 -6,-0.3 5,-0.3 0.859 78.5 48.7 -52.8 -52.8 35.7 53.2 32.7 12 316 A L H > S+ 0 0 16 -3,-0.3 4,-3.0 -4,-0.3 5,-0.3 0.924 111.7 50.5 -62.3 -43.6 33.4 56.2 32.8 13 317 A T H > S+ 0 0 103 -4,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.916 117.0 39.6 -56.0 -47.6 30.3 53.9 33.1 14 318 A S H X S+ 0 0 30 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.907 118.1 47.4 -77.4 -40.4 31.7 51.9 35.9 15 319 A Y H >X S+ 0 0 45 -4,-3.2 4,-2.0 1,-0.2 3,-1.2 0.948 113.7 47.3 -68.9 -49.2 33.3 54.9 37.7 16 320 A F H 3< S+ 0 0 16 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.824 105.6 60.5 -56.9 -30.3 30.2 57.1 37.5 17 321 A A H 3< S+ 0 0 55 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.769 116.3 33.5 -74.7 -15.8 28.1 54.1 38.7 18 322 A H H << S+ 0 0 105 -3,-1.2 2,-0.6 -4,-0.7 -1,-0.2 0.631 93.7 96.0-110.8 -23.4 30.1 54.2 41.9 19 323 A S X - 0 0 18 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 -0.604 51.5-164.4 -74.2 117.7 30.9 57.9 42.4 20 324 A R H > S+ 0 0 39 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.874 90.8 57.1 -72.4 -26.9 28.4 59.4 44.8 21 325 A L H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.928 104.1 50.6 -66.9 -44.1 29.6 62.9 43.7 22 326 A H H > S+ 0 0 48 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.929 111.0 50.2 -54.7 -42.6 28.8 62.1 40.1 23 327 A H H X S+ 0 0 31 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.902 107.5 53.7 -60.5 -40.0 25.3 61.0 41.3 24 328 A L H X S+ 0 0 66 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.975 113.5 42.4 -61.7 -51.0 24.8 64.2 43.2 25 329 A S H X S+ 0 0 79 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.943 116.7 46.7 -57.9 -50.7 25.7 66.2 40.1 26 330 A A H X S+ 0 0 33 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.924 112.9 48.9 -60.1 -47.2 23.6 64.0 37.7 27 331 A W H X S+ 0 0 19 -4,-3.7 4,-2.4 -5,-0.2 -1,-0.2 0.928 111.9 51.4 -62.2 -38.7 20.6 64.0 40.1 28 332 A K H X S+ 0 0 86 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.946 110.2 46.3 -62.0 -51.2 20.9 67.8 40.4 29 333 A A H X S+ 0 0 20 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.877 113.0 50.9 -54.9 -44.0 20.9 68.5 36.6 30 334 A N H X S+ 0 0 99 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.916 109.1 50.5 -65.6 -42.5 17.9 66.1 36.1 31 335 A L H X S+ 0 0 18 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.894 108.8 51.8 -63.2 -42.2 15.9 67.8 38.9 32 336 A K H X S+ 0 0 52 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.959 113.6 44.9 -52.7 -52.8 16.6 71.3 37.2 33 337 A D H X S+ 0 0 51 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.857 109.3 54.0 -58.5 -40.1 15.4 69.9 33.9 34 338 A K H X S+ 0 0 102 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.919 108.6 51.5 -65.8 -37.9 12.4 68.2 35.5 35 339 A F H X S+ 0 0 14 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.906 111.1 46.7 -57.3 -49.0 11.5 71.7 37.0 36 340 A L H < S+ 0 0 21 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.894 113.5 48.8 -64.6 -41.9 11.8 73.3 33.5 37 341 A N H >< S+ 0 0 101 -4,-3.2 3,-1.2 1,-0.2 -2,-0.2 0.937 112.3 46.8 -63.2 -44.7 9.7 70.6 31.9 38 342 A E H 3< S+ 0 0 144 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.723 116.5 45.3 -72.5 -22.2 6.9 70.7 34.6 39 343 A N T >< S+ 0 0 30 -4,-1.4 3,-1.4 -5,-0.2 -1,-0.3 0.177 71.5 116.7-110.8 18.3 6.7 74.5 34.4 40 344 A I T < S+ 0 0 105 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.846 93.5 27.9 -44.8 -42.4 6.8 75.1 30.6 41 345 A H T 3 S+ 0 0 181 -3,-0.3 2,-0.5 -4,-0.2 -1,-0.3 0.087 100.8 101.4-114.3 21.4 3.3 76.6 30.8 42 346 A K S < S- 0 0 130 -3,-1.4 2,-0.6 2,-0.0 -3,-0.0 -0.912 72.9-128.8-108.0 127.4 3.4 77.9 34.4 43 347 A Y + 0 0 109 -2,-0.5 -2,-0.1 1,-0.1 -3,-0.1 -0.745 41.1 171.3 -81.3 122.1 4.0 81.7 34.9 44 348 A T + 0 0 25 -2,-0.6 -1,-0.1 -5,-0.1 260,-0.1 0.635 23.3 104.5-118.1 -34.0 6.8 81.4 37.4 45 349 A K - 0 0 131 258,-0.1 2,-0.3 259,-0.1 258,-0.2 -0.344 52.8-139.0 -71.6 145.4 8.8 84.6 38.5 46 350 A I - 0 0 6 256,-2.4 2,-0.2 -2,-0.1 -2,-0.1 -0.757 23.4-143.7 -97.0 148.5 8.4 86.3 41.9 47 351 A T - 0 0 73 -2,-0.3 3,-0.3 1,-0.1 -1,-0.0 -0.564 25.4-110.7-106.7 171.2 8.4 90.1 42.0 48 352 A D S S+ 0 0 140 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.819 119.4 59.2 -61.7 -36.2 9.6 93.0 44.2 49 353 A K S S+ 0 0 97 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.773 90.5 100.1 -62.2 -26.4 5.9 93.7 45.0 50 354 A D - 0 0 52 -3,-0.3 2,-0.5 1,-0.1 -4,-0.0 -0.268 61.9-149.4 -70.3 138.3 5.5 90.1 46.4 51 355 A T E +A 171 0A 90 120,-0.5 120,-3.8 -2,-0.1 2,-0.3 -0.935 30.5 174.9-106.4 129.1 5.5 89.2 50.1 52 356 A Y E -A 170 0A 35 -2,-0.5 2,-0.4 118,-0.3 118,-0.2 -0.954 31.9-148.4-143.6 150.0 6.9 85.7 50.7 53 357 A I E -A 169 0A 21 116,-2.8 116,-2.5 -2,-0.3 2,-0.5 -0.942 21.9-143.8-113.9 133.5 8.0 83.1 53.3 54 358 A I E -AB 168 202A 0 148,-3.7 148,-2.2 -2,-0.4 2,-0.6 -0.842 10.7-169.5 -97.2 132.6 10.9 80.6 52.6 55 359 A F E -AB 167 201A 0 112,-3.2 112,-2.7 -2,-0.5 2,-0.7 -0.929 5.4-165.8-118.5 110.2 10.8 77.1 53.8 56 360 A H E -AB 166 200A 13 144,-3.3 144,-2.2 -2,-0.6 2,-0.4 -0.855 12.7-173.6 -99.0 117.7 14.1 75.5 53.3 57 361 A I E +AB 165 199A 0 108,-2.7 108,-2.5 -2,-0.7 2,-0.3 -0.970 9.2 166.1-128.6 129.5 13.6 71.7 53.7 58 362 A D E -AB 164 198A 14 140,-2.0 140,-2.6 -2,-0.4 106,-0.2 -0.985 36.5-111.5-147.9 133.6 16.4 69.1 53.8 59 363 A F E > - B 0 197A 1 104,-2.3 3,-0.6 -2,-0.3 138,-0.3 -0.538 38.8-113.4 -66.7 140.0 16.7 65.5 54.8 60 364 A D T 3 S- 0 0 7 136,-2.0 5,-0.3 1,-0.2 136,-0.3 -0.566 87.3 -21.7 -69.4 143.1 18.8 64.8 57.9 61 365 A C T 3> S- 0 0 7 -2,-0.2 4,-2.8 1,-0.1 -1,-0.2 0.800 87.4-160.0 18.4 68.5 22.1 62.9 57.2 62 366 A F T <4 S+ 0 0 13 -3,-0.6 2,-1.4 1,-0.2 -1,-0.1 -0.228 73.7 31.0 -69.0 145.4 20.5 61.6 53.9 63 367 A F T > S+ 0 0 11 -3,-0.2 4,-3.2 1,-0.2 5,-0.3 -0.316 119.2 56.2 100.8 -64.8 22.4 58.5 52.7 64 368 A A H > S+ 0 0 0 -2,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.933 111.9 42.4 -71.8 -40.4 23.1 57.5 56.3 65 369 A T H X S+ 0 0 9 -4,-2.8 4,-2.7 -5,-0.3 -1,-0.2 0.939 122.2 40.1 -63.6 -46.3 19.4 57.6 57.1 66 370 A V H > S+ 0 0 0 -5,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.916 114.4 50.8 -75.3 -38.5 18.5 55.8 53.9 67 371 A A H < S+ 0 0 2 -4,-3.2 -1,-0.2 2,-0.2 -3,-0.2 0.907 113.1 49.9 -61.4 -37.7 21.4 53.3 53.9 68 372 A Y H >< S+ 0 0 37 -4,-1.8 3,-1.8 -5,-0.3 -2,-0.2 0.960 109.0 48.4 -67.9 -51.4 20.4 52.5 57.5 69 373 A L H 3< S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.866 119.7 40.6 -51.0 -36.4 16.7 51.9 56.7 70 374 A C T 3< S+ 0 0 47 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.079 87.4 145.6 -98.6 14.3 17.7 49.7 53.7 71 375 A R < - 0 0 72 -3,-1.8 -3,-0.1 4,-0.1 59,-0.0 -0.240 51.5-111.8 -65.5 146.5 20.5 47.9 55.5 72 376 A S > - 0 0 65 1,-0.1 3,-1.6 2,-0.0 -1,-0.1 -0.197 36.1-100.7 -65.7 164.8 21.3 44.2 54.7 73 377 A S G > S+ 0 0 105 1,-0.3 3,-2.3 2,-0.2 4,-0.3 0.759 115.9 72.6 -66.7 -23.2 20.7 41.6 57.5 74 378 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.681 104.0 43.2 -71.4 -9.0 24.4 41.4 58.5 75 379 A F G X S+ 0 0 59 -3,-1.6 3,-1.1 1,-0.1 -1,-0.3 0.071 74.8 112.4-108.8 21.6 23.9 44.9 60.0 76 380 A S T < + 0 0 91 -3,-2.3 3,-0.4 1,-0.2 -2,-0.1 0.844 69.9 71.0 -56.6 -23.3 20.5 44.2 61.7 77 381 A A T 3 S+ 0 0 96 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.377 79.3 101.9 -69.0 7.4 22.4 44.6 65.0 78 382 A C < - 0 0 3 -3,-1.1 -1,-0.2 -10,-0.1 5,-0.2 0.813 55.2-161.0 -96.1 -47.1 22.8 48.2 64.4 79 383 A D >> - 0 0 81 -3,-0.4 4,-2.6 3,-0.1 3,-1.1 0.985 11.4-151.9 66.7 88.3 20.8 51.0 66.1 80 384 A F T 34 S+ 0 0 30 1,-0.2 22,-0.4 2,-0.2 5,-0.2 0.657 93.5 55.7 -59.4 -24.9 20.7 54.6 64.5 81 385 A K T 34 S+ 0 0 170 1,-0.1 -1,-0.2 20,-0.1 -2,-0.1 0.707 120.2 23.6 -84.8 -22.8 20.2 56.3 67.9 82 386 A R T <4 S+ 0 0 58 -3,-1.1 -2,-0.2 -4,-0.1 -3,-0.1 0.688 108.0 74.5-122.1 -29.2 23.2 55.0 69.8 83 387 A D S < S- 0 0 49 -4,-2.6 2,-0.5 -5,-0.2 20,-0.4 -0.692 75.8-120.9 -96.2 141.9 25.8 54.0 67.1 84 388 A P - 0 0 3 0, 0.0 44,-3.3 0, 0.0 2,-0.4 -0.651 41.8-175.6 -78.8 120.3 28.1 56.1 65.0 85 389 A I E +e 128 0B 0 -2,-0.5 15,-2.0 42,-0.2 2,-0.3 -0.959 13.0 173.6-128.2 140.1 27.3 55.3 61.4 86 390 A V E -eF 129 99B 0 42,-2.7 44,-3.6 -2,-0.4 2,-0.4 -0.893 26.1-132.3-135.8 164.2 28.7 56.3 58.1 87 391 A V E +eF 130 98B 0 11,-1.5 10,-1.8 -2,-0.3 11,-0.8 -0.986 47.2 132.3-117.2 126.0 28.3 55.5 54.4 88 392 A C - 0 0 7 42,-2.1 8,-0.1 -2,-0.4 44,-0.1 -0.954 56.3-122.0-165.8 174.2 31.5 54.9 52.5 89 393 A H S S+ 0 0 110 6,-0.4 -1,-0.1 -2,-0.3 2,-0.1 0.826 83.8 12.7 -98.9 -36.4 33.3 52.6 50.1 90 394 A G - 0 0 25 5,-0.1 4,-0.0 2,-0.0 -2,-0.0 -0.128 68.7-106.3-127.0-146.2 36.4 51.6 52.0 91 395 A T S S+ 0 0 122 -2,-0.1 22,-0.0 23,-0.0 38,-0.0 0.461 93.1 20.2-136.6 -9.0 38.2 51.5 55.2 92 396 A K S S+ 0 0 130 22,-0.1 23,-2.6 23,-0.1 2,-1.2 0.403 126.3 11.8-131.7 -90.3 41.1 54.1 55.2 93 397 A N S S+ 0 0 32 21,-0.2 2,-0.4 278,-0.2 20,-0.1 -0.376 93.5 126.9 -92.1 55.5 41.3 57.1 52.9 94 398 A S - 0 0 18 -2,-1.2 20,-2.2 278,-0.1 2,-0.2 -0.925 63.7-110.8-121.0 130.7 37.8 56.7 51.8 95 399 A D B -G 113 0C 36 -2,-0.4 2,-1.1 18,-0.2 -6,-0.4 -0.436 16.1-132.5 -70.2 138.1 35.4 59.6 52.0 96 400 A I - 0 0 0 16,-3.0 16,-0.3 -2,-0.2 -8,-0.2 -0.707 20.5-170.0 -77.3 97.9 32.5 59.5 54.4 97 401 A A S S- 0 0 14 -10,-1.8 2,-0.3 -2,-1.1 -1,-0.2 0.933 70.8 -4.5 -62.5 -40.6 29.6 60.5 52.2 98 402 A S E -F 87 0B 3 -11,-0.8 -11,-1.5 -3,-0.1 2,-0.4 -0.996 63.0-166.5-152.0 140.2 27.2 60.9 55.1 99 403 A C E -F 86 0B 0 -2,-0.3 -13,-0.2 -13,-0.2 11,-0.1 -0.989 24.4-119.0-126.8 141.9 27.4 60.3 58.9 100 404 A N > - 0 0 1 -15,-2.0 4,-2.3 -2,-0.4 5,-0.2 -0.206 35.5 -99.2 -69.5 163.9 24.6 60.2 61.4 101 405 A Y H > S+ 0 0 61 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.791 122.6 60.2 -62.6 -22.6 24.3 62.7 64.4 102 406 A V H >> S+ 0 0 27 -22,-0.4 3,-0.6 -19,-0.3 4,-0.6 0.980 107.2 46.6 -67.9 -48.0 25.8 60.1 66.8 103 407 A A H >4>S+ 0 0 0 -20,-0.4 3,-1.7 1,-0.2 5,-1.3 0.928 111.1 53.4 -52.4 -42.4 28.9 60.1 64.6 104 408 A R H ><5S+ 0 0 77 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.790 93.9 68.4 -68.1 -26.6 28.8 64.0 64.6 105 409 A S H <<5S+ 0 0 90 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.731 101.1 49.6 -63.0 -17.7 28.7 64.1 68.4 106 410 A Y T <<5S- 0 0 68 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.463 129.1 -97.0 -93.9 -6.0 32.4 62.8 68.2 107 411 A G T < 5S+ 0 0 38 -3,-1.3 -3,-0.2 1,-0.3 -2,-0.1 0.365 75.1 147.1 105.1 -4.4 33.4 65.5 65.6 108 412 A I < - 0 0 4 -5,-1.3 -1,-0.3 -6,-0.1 2,-0.3 -0.415 25.8-171.9 -62.5 136.1 33.0 63.3 62.5 109 413 A K > - 0 0 52 -2,-0.1 3,-1.8 1,-0.1 -13,-0.2 -0.936 32.8 -95.4-132.1 150.2 31.9 65.3 59.4 110 414 A N T 3 S+ 0 0 65 -2,-0.3 -14,-0.2 1,-0.2 -1,-0.1 0.862 114.8 39.1 -37.4 -50.1 30.7 64.5 55.9 111 415 A G T 3 S+ 0 0 60 -16,-0.1 -1,-0.2 2,-0.1 -14,-0.1 0.553 89.6 119.9 -96.9 28.0 33.8 64.8 53.8 112 416 A M < - 0 0 27 -3,-1.8 -16,-3.0 -16,-0.3 2,-0.2 -0.459 66.6-111.3 -78.0 150.6 36.2 63.2 56.3 113 417 A W B > -G 95 0C 78 -18,-0.2 4,-2.5 1,-0.1 -18,-0.2 -0.539 23.7-120.1 -74.7 146.9 38.2 60.1 55.6 114 418 A V H > S+ 0 0 2 -20,-2.2 4,-2.3 -2,-0.2 5,-0.2 0.889 113.1 53.9 -51.2 -38.4 37.3 57.0 57.5 115 419 A S H > S+ 0 0 25 -23,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.922 108.8 47.9 -69.3 -43.1 40.8 56.8 59.0 116 420 A Q H 4 S+ 0 0 97 -24,-0.3 4,-0.5 1,-0.2 3,-0.2 0.937 111.8 52.0 -57.7 -38.1 40.5 60.3 60.3 117 421 A A H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 4,-0.3 0.922 103.7 54.3 -72.5 -43.4 37.0 59.6 61.8 118 422 A E H >< S+ 0 0 97 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.816 98.6 63.4 -64.4 -34.9 37.9 56.4 63.7 119 423 A K T 3< S+ 0 0 177 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.725 97.1 61.2 -51.4 -21.2 40.7 58.3 65.5 120 424 A M T < S+ 0 0 74 -3,-2.0 -1,-0.2 -4,-0.5 -2,-0.2 0.642 84.6 95.8 -87.9 -7.1 37.9 60.4 67.0 121 425 A L < - 0 0 25 -3,-1.3 3,-0.1 -4,-0.3 4,-0.1 -0.710 69.5-133.6 -92.3 128.0 36.2 57.5 68.7 122 426 A P > - 0 0 67 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.181 46.9 -66.7 -68.5 170.1 36.8 56.8 72.4 123 427 A N T 3 S+ 0 0 169 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.317 123.2 24.8 -66.6 133.9 37.5 53.2 73.6 124 428 A G T 3 S+ 0 0 63 1,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.502 95.6 110.1 92.0 1.5 34.5 50.9 73.3 125 429 A I < - 0 0 51 -3,-1.7 2,-0.4 -4,-0.1 -1,-0.3 -0.973 49.4-166.8-112.7 126.3 33.0 52.9 70.5 126 430 A K - 0 0 148 -2,-0.5 2,-0.4 -3,-0.1 -3,-0.0 -0.920 19.0-125.8-115.4 136.3 33.0 51.2 67.0 127 431 A L - 0 0 20 -2,-0.4 2,-0.6 -44,-0.1 -42,-0.2 -0.686 18.3-145.5 -76.4 130.0 32.3 52.9 63.7 128 432 A I E -e 85 0B 38 -44,-3.3 -42,-2.7 -2,-0.4 2,-0.6 -0.867 11.3-159.4 -97.5 120.9 29.6 51.3 61.6 129 433 A S E -e 86 0B 45 -2,-0.6 -42,-0.2 -44,-0.2 -44,-0.1 -0.880 8.0-169.8 -99.5 115.2 30.3 51.5 57.8 130 434 A L E -e 87 0B 3 -44,-3.6 -42,-2.1 -2,-0.6 -62,-0.1 -0.761 20.9-119.2 -99.1 154.4 27.3 51.1 55.5 131 435 A P - 0 0 72 0, 0.0 2,-0.2 0, 0.0 -42,-0.1 -0.260 37.2 -92.8 -77.6 168.9 27.4 50.7 51.6 132 436 A Y - 0 0 29 -44,-0.1 2,-0.3 -45,-0.1 -68,-0.0 -0.640 28.7-166.3 -80.5 146.5 25.8 53.1 49.2 133 437 A T > + 0 0 30 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.749 14.5 172.4-127.7 78.0 22.2 52.3 48.1 134 438 A F H > S+ 0 0 35 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.862 74.3 52.5 -57.6 -44.0 21.9 54.8 45.1 135 439 A E H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 111.2 48.2 -55.0 -45.8 18.6 53.5 43.8 136 440 A Q H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.919 106.8 55.7 -69.0 -37.0 17.1 53.8 47.3 137 441 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.935 110.3 47.3 -57.6 -40.2 18.4 57.4 47.7 138 442 A Q H X S+ 0 0 83 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.904 108.8 52.5 -67.7 -39.9 16.7 58.2 44.5 139 443 A L H X S+ 0 0 89 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.925 112.0 46.4 -62.2 -44.7 13.3 56.6 45.5 140 444 A K H X S+ 0 0 28 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.904 110.2 53.9 -67.6 -35.1 13.2 58.5 48.9 141 445 A S H X S+ 0 0 6 -4,-2.1 4,-2.7 -5,-0.4 -1,-0.2 0.943 108.9 48.7 -64.8 -41.7 14.1 61.7 47.0 142 446 A E H X S+ 0 0 78 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.899 110.5 50.2 -58.8 -44.7 11.1 61.1 44.6 143 447 A A H X S+ 0 0 22 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.946 110.9 52.1 -59.2 -46.8 8.7 60.4 47.6 144 448 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.958 112.5 42.0 -50.8 -61.7 9.9 63.6 49.1 145 449 A Y H X S+ 0 0 37 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.863 115.4 49.2 -67.2 -32.8 9.4 65.8 46.1 146 450 A S H X S+ 0 0 76 -4,-2.7 4,-2.8 -5,-0.2 -1,-0.2 0.931 109.7 52.8 -72.0 -33.7 6.0 64.2 45.3 147 451 A T H X S+ 0 0 7 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.916 108.0 50.7 -60.7 -46.0 4.8 64.7 48.9 148 452 A L H <>S+ 0 0 2 -4,-2.3 5,-0.5 -5,-0.2 3,-0.3 0.943 112.9 45.7 -57.0 -52.2 5.8 68.4 48.8 149 453 A K H <5S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.912 110.8 55.2 -50.9 -47.2 3.8 68.9 45.5 150 454 A R H <5S+ 0 0 145 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.788 94.2 68.6 -71.0 -31.3 0.8 66.9 46.9 151 455 A L T <5S- 0 0 17 -4,-1.7 2,-1.1 -3,-0.3 3,-0.3 -0.540 92.1-134.4 -75.0 147.4 0.3 69.0 50.1 152 456 A N T 5 + 0 0 155 1,-0.2 -3,-0.1 -2,-0.2 -2,-0.1 -0.332 66.8 115.8-115.9 74.8 -0.9 72.0 48.5 153 457 A I < + 0 0 21 -2,-1.1 2,-0.3 -5,-0.5 -1,-0.2 0.813 53.4 60.9-105.4 -35.2 1.2 74.5 50.4 154 458 A F - 0 0 23 -3,-0.3 15,-0.2 -6,-0.3 3,-0.1 -0.690 51.3-152.1-114.6 148.9 3.7 76.3 48.2 155 459 A N S S+ 0 0 93 13,-2.1 2,-0.3 -2,-0.3 14,-0.2 0.764 92.5 18.6 -81.8 -25.1 3.6 78.6 45.2 156 460 A L E -C 168 0A 16 12,-1.5 12,-2.4 2,-0.0 2,-0.5 -0.983 57.1-164.5-156.4 137.0 7.0 77.4 44.2 157 461 A I E -C 167 0A 37 -2,-0.3 10,-0.2 10,-0.2 -8,-0.0 -0.970 13.9-165.8-126.0 106.1 9.3 74.4 44.9 158 462 A L E -C 166 0A 0 8,-2.9 8,-2.4 -2,-0.5 2,-0.4 -0.870 15.5-139.5 -98.7 115.9 12.9 74.9 43.8 159 463 A P E +C 165 0A 10 0, 0.0 6,-0.2 0, 0.0 3,-0.1 -0.655 28.8 168.1 -74.9 124.2 14.9 71.8 43.7 160 464 A I E - 0 0 47 4,-2.3 2,-0.3 1,-0.4 5,-0.2 0.660 64.8 -20.7-100.6 -33.0 18.4 72.5 45.1 161 465 A S E > S-C 164 0A 23 3,-2.1 3,-1.7 -130,-0.1 -1,-0.4 -0.969 79.4 -75.2-162.0 173.1 19.6 68.9 45.5 162 466 A I T 3 S+ 0 0 3 -2,-0.3 3,-0.0 1,-0.3 -138,-0.0 0.739 130.9 24.8 -49.0 -29.7 18.5 65.3 45.7 163 467 A D T 3 S+ 0 0 20 -104,-0.1 -104,-2.3 1,-0.1 2,-0.3 0.028 115.4 65.5-126.2 30.1 17.5 65.8 49.3 164 468 A E E < +AC 58 161A 26 -3,-1.7 -4,-2.3 -106,-0.2 -3,-2.1 -0.986 47.0 177.0-158.3 140.8 16.7 69.5 49.6 165 469 A A E -AC 57 159A 0 -108,-2.5 -108,-2.7 -2,-0.3 2,-0.6 -0.993 24.5-137.2-147.0 142.1 14.2 72.0 48.2 166 470 A V E -AC 56 158A 9 -8,-2.4 -8,-2.9 -2,-0.3 2,-0.5 -0.925 27.6-164.1-101.1 120.4 13.5 75.7 48.7 167 471 A C E -AC 55 157A 0 -112,-2.7 -112,-3.2 -2,-0.6 2,-0.5 -0.926 2.4-158.7-116.1 128.3 9.8 76.2 49.0 168 472 A V E -AC 54 156A 0 -12,-2.4 -13,-2.1 -2,-0.5 -12,-1.5 -0.900 7.2-167.2-110.8 124.3 8.2 79.6 48.7 169 473 A R E -A 53 0A 54 -116,-2.5 -116,-2.8 -2,-0.5 2,-0.5 -0.944 15.7-145.8-106.1 132.4 4.8 80.7 50.0 170 474 A I E -A 52 0A 45 -2,-0.5 -118,-0.3 -118,-0.2 -120,-0.0 -0.802 12.0-154.6 -94.9 124.5 3.5 84.0 48.6 171 475 A I E -A 51 0A 52 -120,-3.8 -120,-0.5 -2,-0.5 2,-0.0 -0.928 11.2-135.0-103.0 118.1 1.4 85.9 51.2 172 476 A P 0 0 96 0, 0.0 -122,-0.0 0, 0.0 -120,-0.0 -0.363 360.0 360.0 -60.5 152.8 -1.2 88.3 49.9 173 477 A D 0 0 200 -2,-0.0 -123,-0.0 0, 0.0 0, 0.0 0.572 360.0 360.0 6.7 360.0 -1.5 91.9 51.5 174 ! 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 0.0 175 484 A T > 0 0 131 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -60.1 1.6 80.3 64.2 176 485 A L H > + 0 0 83 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.964 360.0 62.6 -41.0 -57.2 0.3 78.7 61.0 177 486 A N H > S+ 0 0 24 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 102.4 49.9 -46.5 -38.7 4.0 78.5 59.9 178 487 A A H > S+ 0 0 24 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.932 110.6 48.4 -68.3 -42.4 4.7 76.1 62.8 179 488 A R H X S+ 0 0 156 -4,-1.7 4,-2.5 -3,-0.3 -2,-0.2 0.895 110.8 51.7 -63.5 -40.0 1.7 73.8 62.0 180 489 A L H X S+ 0 0 12 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.954 108.4 50.9 -65.1 -43.4 2.8 73.8 58.4 181 490 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.877 111.7 49.5 -52.1 -38.6 6.4 72.7 59.4 182 491 A E H X S+ 0 0 104 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.919 111.0 47.1 -76.1 -40.6 4.8 70.0 61.5 183 492 A E H X S+ 0 0 94 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.930 112.8 49.1 -63.1 -51.8 2.6 68.6 58.7 184 493 A I H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.946 112.7 47.3 -55.6 -48.6 5.4 68.7 56.2 185 494 A R H X S+ 0 0 47 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.927 116.0 46.4 -60.7 -38.9 7.8 66.8 58.6 186 495 A Q H X S+ 0 0 95 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.934 113.7 44.5 -68.8 -49.1 5.1 64.3 59.4 187 496 A E H X S+ 0 0 55 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.858 115.0 50.1 -65.0 -37.3 3.9 63.6 55.9 188 497 A I H X S+ 0 0 0 -4,-2.8 4,-1.5 -5,-0.3 7,-0.3 0.929 107.2 53.7 -68.4 -41.1 7.5 63.3 54.6 189 498 A F H X S+ 0 0 91 -4,-2.2 4,-0.5 -5,-0.3 6,-0.4 0.911 117.2 38.3 -57.6 -39.9 8.4 61.0 57.4 190 499 A Q H >< S+ 0 0 113 -4,-2.0 3,-0.9 2,-0.2 -2,-0.2 0.922 113.7 51.9 -75.0 -43.7 5.4 58.7 56.3 191 500 A G H 3< S+ 0 0 39 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.715 120.7 37.8 -67.4 -18.2 5.7 59.1 52.5 192 501 A T H 3< S- 0 0 1 -4,-1.5 -1,-0.3 1,-0.3 2,-0.2 0.432 105.1-132.5-105.6 -13.7 9.4 58.1 52.9 193 502 A N S << S+ 0 0 114 -3,-0.9 2,-0.7 -4,-0.5 -1,-0.3 -0.511 82.5 1.6 67.7-145.7 9.1 55.5 55.7 194 503 A G S S+ 0 0 29 -2,-0.2 2,-0.2 -4,-0.1 -1,-0.2 0.494 100.6 120.7 -64.7 21.1 11.6 56.0 58.3 195 504 A C - 0 0 0 -2,-0.7 2,-0.4 -6,-0.4 -3,-0.2 -0.516 45.6-148.9 -90.8 149.3 13.3 59.3 57.0 196 505 A T - 0 0 24 -136,-0.3 -136,-2.0 -2,-0.2 2,-0.3 -0.822 8.7-168.5-114.5 145.4 13.5 62.6 58.6 197 506 A V E -B 59 0A 2 -2,-0.4 2,-0.3 -138,-0.3 -138,-0.3 -0.960 9.5-149.2-123.2 138.9 13.6 66.1 57.2 198 507 A S E -B 58 0A 0 -140,-2.6 -140,-2.0 -2,-0.3 2,-0.4 -0.829 12.9-148.0-100.6 164.5 14.4 69.4 59.0 199 508 A I E -Bd 57 220A 0 20,-1.7 22,-1.8 -2,-0.3 2,-0.5 -0.998 12.4-165.5-136.9 128.0 12.9 72.9 58.1 200 509 A G E -Bd 56 221A 0 -144,-2.2 -144,-3.3 -2,-0.4 2,-0.5 -0.939 18.0-170.1-101.0 125.5 14.3 76.4 58.2 201 510 A C E +B 55 0A 0 20,-2.4 2,-0.3 -2,-0.5 -146,-0.2 -0.972 23.7 124.0-124.3 129.3 11.4 78.9 57.8 202 511 A S E -B 54 0A 0 -148,-2.2 -148,-3.7 -2,-0.5 22,-0.2 -0.947 67.1-101.4-161.1 179.4 12.1 82.6 57.3 203 512 A D S S+ 0 0 37 -2,-0.3 2,-0.3 20,-0.2 -151,-0.1 0.131 103.5 56.6 -97.9 15.8 11.6 85.8 55.2 204 513 A S S > S- 0 0 1 -150,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.992 75.8-136.1-135.3 149.9 15.1 85.5 53.7 205 514 A L H > S+ 0 0 23 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.886 109.2 51.2 -66.8 -36.6 16.8 82.7 51.9 206 515 A V H > S+ 0 0 9 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.959 112.4 44.6 -68.4 -49.7 19.9 83.2 54.0 207 516 A L H > S+ 0 0 0 85,-0.4 4,-4.0 1,-0.2 5,-0.2 0.877 110.2 55.6 -61.4 -39.8 18.0 83.1 57.3 208 517 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.883 108.4 48.9 -55.7 -41.7 16.0 80.1 56.2 209 518 A R H X S+ 0 0 82 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.878 114.8 43.8 -68.2 -34.8 19.3 78.3 55.5 210 519 A L H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.910 111.8 52.8 -77.7 -40.4 20.6 79.2 58.9 211 520 A A H X S+ 0 0 0 -4,-4.0 4,-2.0 1,-0.2 -2,-0.2 0.925 107.6 54.7 -56.5 -37.8 17.3 78.4 60.6 212 521 A L H X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.932 107.4 47.4 -60.8 -52.4 17.6 75.0 58.9 213 522 A K H >< S+ 0 0 94 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.926 113.3 49.5 -52.4 -49.9 21.1 74.4 60.4 214 523 A M H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.858 113.5 45.9 -60.1 -34.5 19.8 75.4 63.8 215 524 A A H 3< S+ 0 0 11 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.705 87.8 124.4 -72.7 -15.9 16.8 73.1 63.5 216 525 A K << + 0 0 20 -4,-1.0 2,-1.9 -3,-0.9 -1,-0.2 0.318 41.0 68.1 -59.1 -32.2 18.8 70.3 62.2 217 526 A P S S- 0 0 87 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.649 132.4 -49.2 -77.2 97.2 18.6 67.1 64.1 218 527 A N S S+ 0 0 79 -2,-1.9 2,-0.3 1,-0.2 -20,-0.2 0.888 113.7 92.8 60.2 58.2 15.0 66.3 63.0 219 528 A G - 0 0 16 -7,-0.1 -20,-1.7 -3,-0.1 2,-0.3 -0.870 63.8-119.1-158.7-178.6 13.2 69.6 63.9 220 529 A Y E -d 199 0A 74 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.930 16.1-161.4-134.3 168.2 12.2 72.9 62.4 221 530 A N E -d 200 0A 32 -22,-1.8 -20,-2.4 -2,-0.3 -6,-0.1 -0.963 4.8-162.5-153.3 128.0 13.1 76.5 63.3 222 531 A I + 0 0 42 -2,-0.3 -21,-0.2 -22,-0.2 -1,-0.1 0.971 23.8 155.5 -91.0 -69.9 11.3 79.7 62.5 223 532 A T - 0 0 18 -21,-0.1 -20,-0.2 -12,-0.1 -12,-0.2 0.938 20.3-165.2 53.7 81.6 13.5 82.9 62.9 224 533 A F > - 0 0 39 -22,-0.2 3,-3.2 -21,-0.1 4,-0.4 -0.476 43.5 -90.7 -90.0 165.9 12.5 86.1 60.8 225 534 A K G > S+ 0 0 88 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.850 131.1 52.7 -42.6 -34.1 14.7 89.2 60.2 226 535 A S G 3 S+ 0 0 106 1,-0.2 -1,-0.3 66,-0.1 -3,-0.1 0.593 98.4 62.1 -84.0 -4.8 13.0 90.6 63.3 227 536 A N G < S+ 0 0 87 -3,-3.2 -1,-0.2 -5,-0.1 2,-0.2 0.324 73.4 131.3-101.1 7.2 13.9 87.5 65.6 228 537 A L < + 0 0 42 -3,-0.9 2,-0.3 -4,-0.4 -3,-0.0 -0.408 28.0 159.1 -65.0 130.8 17.6 88.1 65.1 229 538 A S > - 0 0 60 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.905 53.7-107.0-142.1 173.2 19.5 88.1 68.4 230 539 A E H > S+ 0 0 114 -2,-0.3 4,-2.4 1,-0.2 33,-0.1 0.767 118.4 59.4 -75.7 -31.0 23.0 87.6 69.7 231 540 A E H 4 S+ 0 0 83 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.858 106.7 50.4 -71.2 -27.5 22.2 84.2 71.1 232 541 A F H >4 S+ 0 0 10 2,-0.2 3,-1.8 1,-0.2 -2,-0.2 0.990 112.8 42.3 -67.9 -55.4 21.2 83.2 67.5 233 542 A W H >< S+ 0 0 6 -4,-2.2 3,-1.5 1,-0.3 30,-1.1 0.838 106.9 65.1 -61.3 -31.3 24.4 84.4 65.8 234 543 A S T 3< S+ 0 0 60 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.639 92.6 62.2 -61.4 -17.4 26.5 82.9 68.6 235 544 A S T < S+ 0 0 66 -3,-1.8 2,-0.4 -4,-0.4 -1,-0.2 0.465 90.1 83.3 -92.7 2.4 25.4 79.5 67.7 236 545 A F < - 0 0 4 -3,-1.5 26,-2.1 -4,-0.2 27,-0.3 -0.893 68.1-134.3-116.9 132.6 27.0 79.4 64.1 237 546 A K > - 0 0 152 -2,-0.4 3,-1.8 24,-0.2 4,-0.3 -0.391 38.8-106.0 -65.7 156.1 30.5 78.7 62.9 238 547 A L G > S+ 0 0 6 1,-0.3 3,-1.5 21,-0.2 6,-0.1 0.879 120.4 54.0 -54.8 -41.4 31.7 81.2 60.2 239 548 A D G 3 S+ 0 0 72 1,-0.3 -1,-0.3 4,-0.1 5,-0.1 0.296 80.8 87.4 -84.1 12.5 31.2 78.6 57.4 240 549 A D G < S+ 0 0 30 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.671 71.2 97.6 -72.1 -16.9 27.7 78.0 58.4 241 550 A L S X S- 0 0 5 -3,-1.5 3,-2.0 -4,-0.3 2,-0.1 -0.560 90.2-112.5 -66.2 134.1 27.2 81.0 56.0 242 551 A P T 3 S+ 0 0 39 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.423 106.3 25.7 -63.1 137.1 26.1 79.9 52.5 243 552 A G T 3 S+ 0 0 55 1,-0.2 2,-0.5 -4,-0.1 5,-0.1 0.309 99.0 104.3 88.2 -11.2 29.0 80.8 50.2 244 553 A V < + 0 0 9 -3,-2.0 -1,-0.2 -5,-0.1 2,-0.2 -0.928 42.5 148.8-105.0 122.4 31.6 80.6 53.0 245 554 A G > - 0 0 34 -2,-0.5 4,-2.5 -3,-0.1 5,-0.2 -0.462 62.2 -49.3-131.3-155.2 33.8 77.5 52.9 246 555 A H H > S+ 0 0 160 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.851 129.7 42.9 -58.9 -45.3 37.3 76.5 53.8 247 556 A S H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.928 115.4 47.6 -70.0 -42.8 39.3 79.4 52.1 248 557 A T H > S+ 0 0 14 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.882 111.5 53.2 -62.6 -38.8 37.0 82.1 53.0 249 558 A L H X S+ 0 0 30 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.946 109.7 47.7 -54.8 -49.2 37.0 80.8 56.6 250 559 A S H X S+ 0 0 59 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.924 113.6 46.7 -69.9 -33.7 40.7 80.9 56.7 251 560 A R H X S+ 0 0 134 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.930 111.3 51.7 -69.9 -40.8 40.7 84.5 55.2 252 561 A L H X S+ 0 0 1 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.909 112.0 48.0 -60.2 -40.7 38.1 85.7 57.7 253 562 A E H <>S+ 0 0 70 -4,-3.0 5,-2.3 -5,-0.2 -1,-0.2 0.868 109.4 50.9 -68.3 -35.7 40.1 84.3 60.5 254 563 A S H <5S+ 0 0 107 -4,-1.9 3,-0.4 -5,-0.3 -1,-0.2 0.903 117.6 40.0 -73.7 -32.1 43.3 85.8 59.4 255 564 A T H <5S+ 0 0 64 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.896 120.1 39.2 -82.3 -45.3 41.7 89.3 59.1 256 565 A F T <5S- 0 0 19 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.1 -0.056 113.7-100.7-105.2 38.2 39.4 89.4 62.2 257 566 A D T 5S- 0 0 132 -3,-0.4 -3,-0.2 -4,-0.2 -4,-0.1 0.897 77.9 -56.5 47.7 54.7 41.7 87.7 64.8 258 567 A S < - 0 0 47 -5,-2.3 -1,-0.2 -6,-0.2 -5,-0.1 0.916 64.0-157.7 52.2 62.0 40.0 84.3 64.6 259 568 A P - 0 0 1 0, 0.0 -21,-0.2 0, 0.0 -1,-0.1 -0.497 0.9-157.1 -65.5 137.7 36.4 85.1 65.3 260 569 A H + 0 0 137 -2,-0.1 2,-0.3 -23,-0.1 -22,-0.2 0.593 67.2 23.7 -98.6 -12.4 34.8 81.8 66.6 261 570 A S S >> S- 0 0 13 -24,-0.1 4,-1.6 1,-0.1 3,-0.6 -0.960 84.1-103.6-141.9 172.0 31.1 82.4 65.8 262 571 A L H 3> S+ 0 0 0 -26,-2.1 4,-3.0 -29,-0.8 -28,-0.2 0.874 121.7 59.5 -63.7 -30.9 29.0 84.6 63.5 263 572 A N H 3> S+ 0 0 5 -30,-1.1 4,-1.3 -27,-0.3 -1,-0.3 0.879 104.2 47.5 -60.6 -39.0 28.3 86.8 66.5 264 573 A D H <> S+ 0 0 44 -3,-0.6 4,-0.7 2,-0.2 -1,-0.2 0.792 113.4 49.7 -72.0 -32.3 32.0 87.5 67.1 265 574 A L H >X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 3,-1.2 0.939 107.1 52.5 -74.4 -47.3 32.4 88.3 63.4 266 575 A R H 3< S+ 0 0 89 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.818 110.8 48.7 -60.8 -22.5 29.5 90.6 63.3 267 576 A K H 3< S+ 0 0 136 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.705 118.2 39.0 -87.3 -16.8 30.9 92.5 66.3 268 577 A R H << S+ 0 0 108 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.1 0.853 93.9 92.2-100.3 -34.8 34.4 92.8 64.8 269 578 A Y < - 0 0 39 -4,-2.4 2,-0.4 -5,-0.1 3,-0.1 -0.162 48.3-160.3 -71.0 150.1 34.0 93.4 61.0 270 579 A T > - 0 0 90 1,-0.1 4,-2.3 0, 0.0 3,-0.3 -0.982 30.9-121.7-125.2 134.1 33.9 96.7 59.0 271 580 A L H > S+ 0 0 51 -2,-0.4 4,-2.7 1,-0.2 5,-0.3 0.910 110.8 52.3 -41.4 -53.3 32.4 96.4 55.5 272 581 A D H > S+ 0 0 133 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 110.1 44.9 -51.5 -53.2 35.7 97.8 54.0 273 582 A A H > S+ 0 0 32 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.870 112.1 54.6 -61.6 -37.7 38.0 95.3 55.7 274 583 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.957 109.3 47.6 -57.7 -57.9 35.6 92.4 54.8 275 584 A K H X S+ 0 0 80 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.856 112.4 48.5 -52.8 -37.0 35.6 93.3 51.1 276 585 A A H < S+ 0 0 88 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.912 116.0 46.9 -76.1 -38.4 39.4 93.6 51.2 277 586 A S H < S+ 0 0 21 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.935 128.7 11.5 -60.3 -55.7 39.6 90.2 52.9 278 587 A V H < S- 0 0 15 -4,-2.7 -3,-0.2 -5,-0.1 4,-0.2 0.463 114.4 -81.8-115.7 -3.7 37.2 87.9 50.9 279 588 A G < - 0 0 45 -4,-1.3 -4,-0.2 -5,-0.5 -3,-0.1 0.020 46.8 -97.9 131.8 -42.9 36.3 89.7 47.8 280 589 A S S S+ 0 0 55 -6,-0.2 2,-0.6 1,-0.1 -8,-0.0 0.526 115.5 45.1 88.0 105.2 33.6 92.3 47.7 281 590 A K S > S+ 0 0 173 1,-0.1 4,-3.3 0, 0.0 5,-0.1 -0.616 120.8 44.0 106.4 -80.5 30.5 90.7 46.5 282 591 A L H > S+ 0 0 37 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.947 117.6 46.1 -63.0 -50.1 31.2 87.9 48.8 283 592 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.924 114.2 47.5 -57.7 -46.9 32.1 90.5 51.4 284 593 A M H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.906 111.2 52.0 -52.5 -48.8 28.9 92.3 50.5 285 594 A K H X S+ 0 0 38 -4,-3.3 4,-2.8 2,-0.2 -2,-0.2 0.888 110.9 46.6 -56.0 -41.2 27.0 89.0 50.7 286 595 A I H X S+ 0 0 2 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.954 110.5 53.5 -70.0 -49.1 28.4 88.3 54.2 287 596 A H H < S+ 0 0 37 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.899 113.9 41.3 -44.4 -52.4 27.6 91.8 55.3 288 597 A L H ><>S+ 0 0 32 -4,-2.3 5,-3.1 1,-0.2 3,-2.2 0.932 110.7 58.4 -70.6 -42.8 23.9 91.5 54.1 289 598 A A H ><5S+ 0 0 3 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.864 98.4 58.0 -51.9 -41.8 23.7 88.1 55.5 290 599 A L T 3<5S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.427 108.8 47.8 -75.8 -1.0 24.6 89.3 59.1 291 600 A Q T < 5S- 0 0 63 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.146 125.7-103.4-113.5 13.3 21.6 91.5 58.8 292 601 A G T < 5S+ 0 0 0 -3,-2.2 -85,-0.4 1,-0.2 2,-0.3 0.592 78.5 134.4 82.8 11.1 19.4 88.7 57.6 293 602 A Q < - 0 0 84 -5,-3.1 2,-0.3 -6,-0.1 -1,-0.2 -0.760 50.8-131.6-112.4 145.7 19.4 89.9 54.0 294 603 A D - 0 0 22 -2,-0.3 2,-0.1 -3,-0.1 -1,-0.0 -0.580 22.6-126.2 -80.5 141.3 19.9 88.2 50.7 295 604 A D > - 0 0 22 -2,-0.3 4,-1.3 1,-0.1 -1,-0.1 -0.463 30.7-106.5 -75.1 162.9 22.3 89.6 48.0 296 605 A E H > S+ 0 0 169 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.897 117.6 59.2 -57.5 -44.2 20.9 90.2 44.6 297 606 A E H >4 S+ 0 0 116 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.958 106.5 47.7 -51.1 -54.1 22.7 87.2 43.1 298 607 A S H >4 S+ 0 0 30 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.807 107.1 57.8 -54.9 -37.3 20.9 84.8 45.5 299 608 A L H >X S+ 0 0 20 -4,-1.3 3,-2.7 -3,-0.3 4,-2.0 0.757 82.9 81.5 -73.1 -20.3 17.5 86.4 44.8 300 609 A K H X + 0 0 23 -4,-1.9 4,-2.0 -5,-0.3 3,-0.6 -0.156 62.9 167.7-167.2 69.7 13.5 84.1 37.6 305 614 A P H 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.871 78.8 61.5 -51.8 -41.8 13.8 80.4 38.4 306 615 A K H 3> S+ 0 0 50 1,-0.2 4,-0.6 2,-0.2 -270,-0.1 0.880 109.2 41.9 -59.3 -36.9 13.7 79.3 34.7 307 616 A E H X4 S+ 0 0 120 -3,-0.6 3,-0.7 2,-0.2 -1,-0.2 0.920 114.4 48.1 -74.0 -42.3 16.8 81.2 33.9 308 617 A V H 3< S+ 0 0 50 -4,-2.0 -2,-0.2 -8,-0.3 -1,-0.2 0.931 115.2 46.2 -66.6 -38.2 18.8 80.3 37.0 309 618 A L H 3< S+ 0 0 9 -4,-3.1 2,-0.5 -5,-0.2 -1,-0.2 0.481 85.7 107.4 -81.1 -9.4 17.9 76.6 36.5 310 619 A Q S << S- 0 0 83 -3,-0.7 2,-0.2 -4,-0.6 -277,-0.0 -0.643 78.4-118.8 -71.7 125.1 18.7 76.6 32.8 311 620 A R - 0 0 65 -2,-0.5 3,-0.1 1,-0.1 115,-0.1 -0.456 31.8-179.3 -63.2 127.5 21.9 74.7 32.3 312 621 A K + 0 0 121 1,-0.2 114,-0.4 -2,-0.2 2,-0.3 0.487 63.0 21.7-114.0 -9.2 24.6 76.9 30.7 313 622 A S - 0 0 62 111,-0.1 2,-0.3 112,-0.1 111,-0.2 -0.966 58.1-152.3-152.7 172.0 27.4 74.4 30.5 314 623 A L E +H 423 0D 10 109,-2.2 109,-3.2 -2,-0.3 2,-0.3 -0.984 25.9 140.8-150.2 131.1 28.2 70.7 30.4 315 624 A S E -H 422 0D 53 -2,-0.3 2,-0.3 107,-0.2 107,-0.2 -0.988 37.0-131.7-157.0 166.7 31.3 68.7 31.4 316 625 A I E -H 421 0D 8 105,-1.9 105,-2.0 -2,-0.3 2,-0.3 -0.957 18.1-169.8-119.5 160.6 32.9 65.7 32.9 317 626 A D E -H 420 0D 71 -2,-0.3 2,-0.5 103,-0.2 103,-0.3 -0.867 2.8-174.8-151.1 111.2 35.7 65.9 35.4 318 627 A I E +H 419 0D 0 101,-2.7 101,-2.8 -2,-0.3 3,-0.0 -0.943 18.5 154.2-121.4 118.0 37.6 62.8 36.4 319 628 A N + 0 0 39 -2,-0.5 57,-0.4 99,-0.3 2,-0.4 0.159 56.5 70.2-132.8 12.1 40.2 63.0 39.2 320 629 A W S S+ 0 0 57 55,-0.2 55,-0.2 56,-0.1 3,-0.1 -0.992 100.3 14.9-133.1 138.0 40.4 59.5 40.6 321 630 A G S S+ 0 0 8 53,-2.7 2,-0.9 -2,-0.4 -315,-0.6 0.516 79.5 146.2 80.6 9.8 41.8 56.5 38.8 322 631 A I + 0 0 1 95,-0.5 2,-0.3 52,-0.4 -1,-0.2 -0.680 11.6 144.6 -86.7 110.2 43.6 58.6 36.2 323 632 A R + 0 0 49 -2,-0.9 2,-0.3 -3,-0.1 91,-0.1 -0.891 17.0 170.0-145.6 114.6 47.0 56.7 35.3 324 633 A F - 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