==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 15-NOV-10 2XY5 . COMPND 2 MOLECULE: DNA POLYMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR C.KAUL,M.MUELLER,M.WAGNER,S.SCHNEIDER,T.CARELL . 581 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 418 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 1 0.2 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 . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 3.6 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 1 3 1 4 3 1 0 0 0 3 1 0 1 1 0 0 0 0 0 0 0 1 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 1 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 1 296 A A 0 0 151 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 91.4 12.6 42.1 47.9 2 297 A A - 0 0 88 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.461 360.0-101.1 -74.4 136.1 11.4 41.3 51.5 3 298 A K - 0 0 126 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.051 32.8-114.4 -50.8 151.3 11.8 37.7 52.7 4 299 A M - 0 0 27 1,-0.1 2,-0.1 146,-0.1 -1,-0.1 -0.771 42.3-102.1 -86.6 138.8 8.8 35.3 52.7 5 300 A A + 0 0 59 -2,-0.4 2,-0.3 148,-0.0 -1,-0.1 -0.392 57.9 144.8 -68.6 133.5 7.9 34.4 56.2 6 301 A F - 0 0 35 -2,-0.1 2,-0.7 41,-0.1 43,-0.2 -0.963 48.6-110.2-162.0 159.3 8.9 31.0 57.5 7 302 A T E -a 49 0A 77 41,-2.4 43,-2.4 -2,-0.3 2,-1.6 -0.798 19.3-150.6 -90.9 114.6 10.1 29.1 60.5 8 303 A L E -a 50 0A 62 -2,-0.7 43,-0.1 41,-0.2 41,-0.1 -0.688 33.1-149.6 -80.8 86.4 13.8 28.0 60.3 9 304 A A - 0 0 6 -2,-1.6 43,-0.5 41,-1.5 3,-0.1 -0.291 30.1-168.7 -71.6 140.7 13.1 24.9 62.5 10 305 A D S S+ 0 0 120 1,-0.2 2,-0.3 41,-0.1 -1,-0.1 0.585 80.9 18.9 -97.0 -18.5 15.6 23.3 64.8 11 306 A R S S- 0 0 75 44,-0.0 2,-0.4 48,-0.0 -1,-0.2 -0.992 86.4 -96.6-149.3 161.9 13.4 20.3 65.2 12 307 A V - 0 0 18 -2,-0.3 2,-0.2 -3,-0.1 49,-0.1 -0.611 41.0-168.7 -78.6 127.0 10.4 18.5 63.7 13 308 A T > - 0 0 42 -2,-0.4 3,-1.3 1,-0.1 4,-0.1 -0.715 34.3-107.9-113.1 168.7 7.0 19.3 65.1 14 309 A E G > S+ 0 0 165 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.809 114.6 60.0 -60.9 -38.6 3.6 17.8 64.8 15 310 A E G > S+ 0 0 92 1,-0.3 3,-0.5 2,-0.1 31,-0.3 0.621 95.7 64.5 -73.5 -10.1 2.2 20.7 62.6 16 311 A M G < S+ 0 0 4 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.517 94.5 63.5 -82.1 -5.3 4.9 19.9 60.0 17 312 A L G < + 0 0 32 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.1 -0.120 69.6 149.2-118.6 35.2 3.2 16.5 59.5 18 313 A A < - 0 0 11 -3,-0.5 -3,-0.0 2,-0.1 3,-0.0 -0.140 59.2-112.7 -58.9 160.7 -0.2 17.6 58.2 19 314 A D S S+ 0 0 91 1,-0.1 53,-2.1 52,-0.1 2,-0.3 0.345 103.1 46.0 -88.9 11.2 -1.9 15.2 55.7 20 315 A K E S+b 72 0A 64 51,-0.2 25,-0.4 2,-0.1 2,-0.3 -0.942 73.3 143.1-147.4 126.2 -1.5 17.7 52.8 21 316 A A E -b 73 0A 0 51,-1.9 53,-2.4 -2,-0.3 2,-0.5 -0.994 48.8-121.9-157.1 154.0 1.7 19.6 52.1 22 317 A A E -bC 74 43A 0 21,-2.8 21,-2.3 -2,-0.3 2,-0.4 -0.876 41.9-164.4 -90.0 135.5 4.0 21.0 49.4 23 318 A L E - C 0 42A 1 51,-2.6 2,-0.4 -2,-0.5 53,-0.4 -0.989 17.2-168.4-129.8 136.6 7.4 19.3 50.0 24 319 A V E + C 0 41A 10 17,-2.9 17,-2.1 -2,-0.4 2,-0.5 -0.994 6.8 177.3-123.1 118.3 10.8 20.2 48.7 25 320 A V E - C 0 40A 9 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.915 28.3-146.1-117.1 99.0 13.7 17.7 49.2 26 321 A E E + C 0 39A 16 13,-2.0 12,-2.6 -2,-0.5 13,-0.6 -0.560 27.1 173.1 -87.3 122.7 16.6 19.5 47.5 27 322 A V - 0 0 6 -2,-0.5 10,-0.2 10,-0.2 5,-0.1 -0.971 5.2-178.0-123.0 108.6 19.2 17.6 45.6 28 323 A V + 0 0 14 -2,-0.5 -1,-0.1 8,-0.4 9,-0.1 0.876 54.2 92.4 -84.2 -38.0 21.4 20.1 43.9 29 324 A E S S- 0 0 119 7,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.312 78.0-132.8 -53.4 135.1 23.8 17.7 42.1 30 325 A E S S+ 0 0 142 1,-0.1 2,-0.8 2,-0.1 -1,-0.1 0.912 99.7 58.0 -57.9 -47.1 22.5 17.0 38.6 31 326 A N S S- 0 0 27 1,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.799 74.0-170.0 -85.2 108.8 23.0 13.3 39.0 32 327 A Y > + 0 0 2 -2,-0.8 3,-1.8 3,-0.1 2,-0.3 0.522 41.6 122.8 -84.2 -4.0 21.0 12.5 42.1 33 328 A H T 3 S- 0 0 6 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.427 97.4 -15.8 -65.8 116.2 22.2 9.0 42.7 34 329 A D T 3 S+ 0 0 92 -2,-0.3 -1,-0.3 49,-0.2 -2,-0.1 0.800 107.0 148.7 61.3 29.9 23.7 8.7 46.2 35 330 A A < - 0 0 8 -3,-1.8 -1,-0.2 1,-0.1 -3,-0.1 -0.555 51.9 -91.8 -96.2 158.5 23.8 12.5 46.2 36 331 A P - 0 0 75 0, 0.0 2,-0.6 0, 0.0 -8,-0.4 -0.390 22.3-140.7 -69.0 143.6 23.4 14.9 49.2 37 332 A I - 0 0 10 -10,-0.2 -10,-0.2 1,-0.1 3,-0.1 -0.961 19.7-169.0 -95.8 117.1 20.0 16.3 50.2 38 333 A V - 0 0 36 -12,-2.6 2,-0.3 -2,-0.6 -11,-0.1 0.618 56.5 -19.0 -94.3 -12.1 21.0 19.9 51.0 39 334 A G E -C 26 0A 0 -13,-0.6 -13,-2.0 13,-0.1 2,-0.3 -0.951 54.2-133.1 177.9 165.0 17.8 21.1 52.7 40 335 A I E -CD 25 51A 0 11,-2.0 11,-2.2 -2,-0.3 2,-0.4 -0.970 14.1-173.3-134.2 145.0 14.1 20.5 53.2 41 336 A A E -CD 24 50A 1 -17,-2.1 -17,-2.9 -2,-0.3 2,-0.4 -0.994 1.1-172.2-141.8 142.4 11.0 22.7 53.1 42 337 A V E -CD 23 49A 0 7,-2.2 7,-2.8 -2,-0.4 2,-0.4 -0.996 1.5-172.6-131.8 131.7 7.4 22.0 53.9 43 338 A V E +CD 22 48A 6 -21,-2.3 -21,-2.8 -2,-0.4 2,-0.3 -0.998 24.6 142.4-124.8 126.0 4.5 24.4 53.3 44 339 A N E > - D 0 47A 6 3,-2.7 3,-1.7 -2,-0.4 -23,-0.1 -0.819 66.5 -68.5-144.6-173.6 1.1 23.4 54.7 45 340 A E T 3 S+ 0 0 131 -25,-0.4 3,-0.1 1,-0.3 -24,-0.1 0.653 128.2 52.8 -52.9 -23.8 -2.1 24.8 56.3 46 341 A H T 3 S- 0 0 93 -31,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.521 119.9 -87.1 -95.5 -8.6 -0.1 25.7 59.5 47 342 A G E < - D 0 44A 26 -3,-1.7 -3,-2.7 -32,-0.1 2,-0.4 -0.945 51.6 -48.6 141.6-160.0 2.7 27.6 57.8 48 343 A R E - D 0 43A 85 -2,-0.3 -41,-2.4 -5,-0.2 2,-0.4 -0.956 48.2-175.3-122.9 136.6 6.1 27.4 56.0 49 344 A F E -aD 7 42A 3 -7,-2.8 -7,-2.2 -2,-0.4 2,-0.4 -0.990 18.0-160.0-138.8 136.0 9.0 25.5 57.4 50 345 A F E -aD 8 41A 3 -43,-2.4 -41,-1.5 -2,-0.4 2,-0.4 -0.987 18.1-174.7-111.5 132.6 12.7 24.9 56.6 51 346 A L E - D 0 40A 1 -11,-2.2 -11,-2.0 -2,-0.4 -41,-0.1 -0.954 26.2-122.4-123.4 142.3 14.3 21.8 58.1 52 347 A R >> - 0 0 53 -43,-0.5 4,-2.6 -2,-0.4 3,-0.9 -0.646 25.1-128.7 -81.5 138.8 18.0 20.8 57.9 53 348 A P H 3> S+ 0 0 19 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.856 105.9 57.7 -60.6 -38.6 18.3 17.3 56.4 54 349 A E H 34 S+ 0 0 133 2,-0.2 4,-0.2 1,-0.2 -15,-0.0 0.786 115.2 40.7 -63.1 -27.0 20.4 15.8 59.2 55 350 A T H X> S+ 0 0 40 -3,-0.9 3,-1.5 2,-0.1 4,-0.9 0.952 119.3 40.0 -79.1 -65.0 17.6 16.8 61.6 56 351 A A H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.3 7,-0.4 0.878 115.0 51.1 -58.6 -41.9 14.5 15.9 59.6 57 352 A L T 3< S+ 0 0 30 -4,-2.7 -1,-0.3 -5,-0.3 -3,-0.1 0.552 110.0 49.7 -79.8 -5.3 15.9 12.6 58.1 58 353 A A T <4 S+ 0 0 77 -3,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.492 90.0 97.1 -97.7 -11.7 17.0 11.3 61.6 59 354 A D S+ 0 0 92 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.782 93.3 54.0 -60.3 -29.3 11.4 9.0 63.0 61 356 A Q H > S+ 0 0 119 2,-0.2 4,-2.1 3,-0.2 5,-0.1 0.895 110.8 46.0 -71.0 -41.7 8.1 10.9 62.8 62 357 A F H > S+ 0 0 0 -3,-0.2 4,-3.1 2,-0.2 5,-0.2 0.958 113.0 48.6 -64.4 -50.8 9.3 12.8 59.8 63 358 A V H X S+ 0 0 44 -4,-2.5 4,-1.9 -7,-0.4 -2,-0.2 0.878 112.7 49.0 -55.6 -40.4 10.6 9.6 58.1 64 359 A A H X S+ 0 0 64 -4,-1.9 4,-1.0 -5,-0.2 -1,-0.2 0.884 110.2 51.4 -67.1 -37.2 7.3 7.9 58.9 65 360 A W H >< S+ 0 0 8 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.956 107.6 53.3 -64.9 -45.5 5.4 10.9 57.5 66 361 A L H 3< S+ 0 0 0 -4,-3.1 27,-2.9 1,-0.2 -2,-0.2 0.889 113.7 42.8 -49.9 -47.0 7.6 10.7 54.3 67 362 A G H 3< S+ 0 0 30 -4,-1.9 2,-0.9 25,-0.2 -1,-0.2 0.534 87.5 103.2 -83.5 -8.7 6.6 7.0 53.9 68 363 A D X< - 0 0 57 -4,-1.0 3,-2.2 -3,-0.9 25,-0.1 -0.656 55.4-160.5 -81.1 108.5 2.9 7.3 54.7 69 364 A E T 3 S+ 0 0 69 -2,-0.9 -1,-0.2 1,-0.3 4,-0.1 0.607 89.6 62.3 -63.9 -12.0 0.9 7.2 51.5 70 365 A T T 3 S+ 0 0 84 1,-0.1 2,-0.7 2,-0.1 -1,-0.3 0.445 87.3 80.5 -91.2 -1.8 -2.1 8.8 53.2 71 366 A K S < S- 0 0 59 -3,-2.2 2,-0.3 -6,-0.2 -51,-0.2 -0.910 84.1-144.5-103.9 104.5 0.0 11.9 53.9 72 367 A K E -b 20 0A 86 -53,-2.1 -51,-1.9 -2,-0.7 2,-0.4 -0.548 16.6-167.3 -87.3 135.1 -0.2 13.7 50.5 73 368 A K E -be 21 95A 0 21,-2.3 23,-1.7 -2,-0.3 24,-1.2 -0.930 13.7-155.5-119.6 141.7 2.7 15.7 49.1 74 369 A S E +be 22 97A 0 -53,-2.4 -51,-2.6 -2,-0.4 2,-0.2 -0.967 33.2 159.6-111.4 127.7 2.9 18.1 46.2 75 370 A M E - e 0 98A 3 22,-2.8 24,-3.1 -2,-0.5 2,-0.5 -0.805 43.2-119.5-136.4 172.9 6.4 18.3 44.7 76 371 A F S S- 0 0 36 -53,-0.4 39,-0.1 -2,-0.2 22,-0.1 -0.983 98.5 -6.5-117.2 117.9 8.5 19.3 41.7 77 372 A D S >> S- 0 0 32 -2,-0.5 4,-1.1 3,-0.1 3,-0.8 0.979 71.2-178.5 65.9 57.7 10.4 16.3 40.3 78 373 A S H 3> S+ 0 0 12 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.807 73.7 68.3 -58.5 -26.0 9.5 13.8 43.0 79 374 A K H 3> S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.890 97.1 52.3 -66.1 -38.3 11.7 11.2 41.3 80 375 A R H <> S+ 0 0 56 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.938 114.9 41.9 -54.4 -49.5 14.9 13.1 42.1 81 376 A A H X S+ 0 0 3 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.913 114.7 51.9 -68.1 -44.6 13.8 13.2 45.8 82 377 A A H X S+ 0 0 17 -4,-3.2 4,-2.2 2,-0.2 -2,-0.2 0.929 112.1 43.9 -58.0 -51.0 12.6 9.7 45.8 83 378 A V H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -49,-0.2 0.945 113.0 51.0 -63.9 -46.0 15.8 8.2 44.4 84 379 A A H < S+ 0 0 1 -4,-2.3 4,-0.4 -5,-0.3 -1,-0.2 0.885 113.5 46.9 -61.4 -36.1 18.1 10.3 46.7 85 380 A L H ><>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 3,-0.9 0.850 105.8 58.2 -73.9 -33.8 16.0 9.2 49.6 86 381 A K H ><5S+ 0 0 32 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.874 100.9 57.1 -60.3 -38.3 16.1 5.5 48.5 87 382 A W T 3<5S+ 0 0 52 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.715 107.9 48.0 -66.6 -18.8 19.9 5.7 48.6 88 383 A K T < 5S- 0 0 109 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.222 123.7-105.3-102.0 11.9 19.6 6.7 52.3 89 384 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.746 79.6 129.8 70.1 27.7 17.2 3.9 53.0 90 385 A I < - 0 0 15 -5,-3.1 2,-0.4 -8,-0.1 -1,-0.2 -0.943 48.5-143.5-117.3 133.3 14.1 6.2 53.1 91 386 A E - 0 0 101 -2,-0.4 2,-0.6 -28,-0.1 -23,-0.1 -0.783 6.8-155.0 -95.9 131.6 10.8 5.6 51.2 92 387 A L + 0 0 22 -2,-0.4 2,-0.3 -10,-0.1 -25,-0.2 -0.938 26.6 162.2-103.8 120.9 8.9 8.5 49.9 93 388 A C + 0 0 49 -27,-2.9 -25,-0.2 -2,-0.6 3,-0.1 -0.832 41.0 49.3-128.0 170.7 5.2 7.9 49.4 94 389 A G + 0 0 13 -2,-0.3 -21,-2.3 1,-0.2 2,-0.9 0.630 56.2 157.5 80.8 17.2 2.0 9.8 49.0 95 390 A V E +e 73 0A 38 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.640 6.1 167.2 -75.2 105.6 3.1 12.1 46.2 96 391 A S E + 0 0 44 -23,-1.7 2,-0.3 -2,-0.9 -22,-0.2 0.510 62.3 34.0-101.7 -5.6 -0.2 13.1 44.6 97 392 A F E -e 74 0A 0 -24,-1.2 -22,-2.8 87,-0.1 2,-0.5 -0.922 55.2-172.0-155.5 123.3 1.0 16.0 42.5 98 393 A D E > -e 75 0A 1 -2,-0.3 4,-2.3 -24,-0.2 -22,-0.2 -0.958 8.7-162.7-117.8 109.8 4.2 16.6 40.6 99 394 A L H > S+ 0 0 0 -24,-3.1 4,-2.7 -2,-0.5 5,-0.2 0.804 89.4 57.0 -64.6 -34.9 4.5 20.1 39.2 100 395 A L H > S+ 0 0 17 -25,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.947 111.4 42.4 -59.8 -47.6 7.3 19.2 36.8 101 396 A L H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 113.0 53.5 -69.3 -35.1 5.1 16.5 35.2 102 397 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.933 111.6 45.9 -62.3 -43.9 2.1 18.8 35.2 103 398 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.923 110.8 53.0 -66.0 -46.7 4.0 21.4 33.4 104 399 A Y H < S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 109.8 47.6 -55.0 -43.9 5.4 19.0 30.9 105 400 A L H < S+ 0 0 2 -4,-2.2 370,-0.4 2,-0.2 -1,-0.2 0.923 111.4 50.6 -66.9 -41.0 2.0 17.6 30.0 106 401 A L H < S- 0 0 3 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.907 137.6 -10.0 -64.8 -43.6 0.5 21.1 29.5 107 402 A D >< - 0 0 29 -4,-2.7 3,-1.7 -5,-0.1 4,-0.4 -0.580 53.5-177.3-158.8 97.4 3.3 22.2 27.2 108 403 A P G > S+ 0 0 9 0, 0.0 3,-0.7 0, 0.0 -4,-0.1 0.693 82.9 72.4 -67.7 -15.3 6.5 20.2 26.6 109 404 A A G 3 S+ 0 0 60 1,-0.2 -5,-0.1 208,-0.1 208,-0.1 0.675 83.0 69.6 -68.3 -20.9 7.8 23.1 24.4 110 405 A Q G < S- 0 0 115 -3,-1.7 -1,-0.2 -7,-0.2 3,-0.1 0.769 94.1-138.9 -70.6 -24.1 8.4 25.4 27.4 111 406 A G < - 0 0 45 -3,-0.7 2,-0.3 -4,-0.4 -2,-0.1 0.921 23.0-165.1 67.1 42.2 11.3 23.3 28.6 112 407 A V + 0 0 11 -5,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.489 27.1 153.6 -63.6 117.0 10.1 23.6 32.2 113 408 A D + 0 0 124 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.263 59.8 32.6-128.0 9.1 13.1 22.4 34.3 114 409 A D S > S- 0 0 13 1,-0.1 4,-1.9 -14,-0.1 3,-0.2 -0.974 83.9-104.4-154.5 167.5 12.6 24.3 37.5 115 410 A V H > S+ 0 0 2 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.855 116.7 58.2 -59.5 -40.5 9.7 25.6 39.7 116 411 A A H > S+ 0 0 13 12,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.887 105.8 49.2 -60.3 -41.8 10.2 29.2 38.5 117 412 A A H > S+ 0 0 30 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.906 113.4 46.2 -66.2 -41.5 9.7 28.2 34.8 118 413 A A H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.949 112.3 51.1 -61.5 -47.4 6.5 26.3 35.7 119 414 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.5 1,-0.3 3,-1.7 0.837 100.6 62.6 -59.6 -34.0 5.3 29.2 37.9 120 415 A K H ><5S+ 0 0 131 -4,-1.8 3,-1.8 1,-0.3 -1,-0.3 0.826 90.5 68.5 -64.4 -28.7 5.8 31.7 35.1 121 416 A M T <<5S+ 0 0 42 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.718 107.6 38.1 -61.3 -23.7 3.2 29.8 33.0 122 417 A K T < 5S- 0 0 61 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 -0.104 122.2-101.8-117.7 30.7 0.6 31.1 35.5 123 418 A Q T < 5S+ 0 0 158 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.798 77.3 140.5 58.1 31.3 2.0 34.6 36.0 124 419 A Y < + 0 0 51 -5,-2.5 -1,-0.2 -8,-0.1 -2,-0.2 -0.943 14.1 158.8-106.0 120.1 3.6 33.6 39.3 125 420 A E + 0 0 135 -2,-0.6 2,-0.9 -3,-0.1 -1,-0.1 0.213 35.1 111.3-128.1 14.5 7.0 35.1 39.8 126 421 A A S S+ 0 0 43 -7,-0.1 2,-0.3 28,-0.1 32,-0.1 -0.152 71.6 67.3 -85.0 41.7 7.6 35.1 43.6 127 422 A V S S- 0 0 12 -2,-0.9 24,-0.1 -11,-0.1 -3,-0.0 -0.972 79.1-123.4-155.8 144.7 10.3 32.4 43.3 128 423 A R - 0 0 113 -2,-0.3 -12,-0.3 23,-0.1 2,-0.2 -0.625 29.7-103.1 -89.6 151.6 13.8 32.5 41.7 129 424 A P >> - 0 0 60 0, 0.0 4,-1.3 0, 0.0 3,-1.3 -0.511 30.5-122.7 -63.8 138.1 15.2 30.2 39.0 130 425 A D H 3> S+ 0 0 33 1,-0.3 4,-3.7 2,-0.2 5,-0.4 0.838 112.1 61.3 -50.3 -37.8 17.4 27.6 40.5 131 426 A E H 3> S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.830 101.5 51.6 -63.3 -34.3 20.2 28.9 38.2 132 427 A A H <4 S+ 0 0 59 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.816 117.9 38.7 -67.8 -32.6 20.0 32.3 39.8 133 428 A V H < S+ 0 0 15 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.1 0.904 127.8 30.7 -85.6 -45.1 20.4 30.7 43.3 134 429 A Y H < S- 0 0 6 -4,-3.7 7,-2.5 1,-0.2 -3,-0.2 0.681 98.3-141.8 -91.0 -17.0 22.9 28.0 42.5 135 430 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.323 23.7 -82.0 79.3-169.5 24.9 29.7 39.6 136 431 A K S > S- 0 0 98 -4,-0.1 3,-1.2 -2,-0.1 2,-0.2 -0.998 73.4 -21.1-143.8 136.7 26.2 27.9 36.6 137 432 A G G > S- 0 0 61 -2,-0.4 3,-1.4 1,-0.2 0, 0.0 -0.515 127.5 -5.2 73.1-133.5 29.2 25.7 35.6 138 433 A A G 3 S+ 0 0 115 1,-0.3 -1,-0.2 -2,-0.2 -3,-0.0 0.617 134.4 60.3 -72.5 -14.7 32.3 26.1 37.8 139 434 A K G < S+ 0 0 80 -3,-1.2 -1,-0.3 2,-0.0 2,-0.2 0.429 77.6 121.9 -88.2 0.5 30.5 28.9 39.8 140 435 A R < + 0 0 98 -3,-1.4 2,-0.3 -5,-0.2 -5,-0.2 -0.476 36.6 145.8 -67.9 126.6 27.8 26.4 40.7 141 436 A A - 0 0 59 -7,-2.5 -2,-0.0 -2,-0.2 -3,-0.0 -0.988 54.2-104.7-159.8 152.8 27.5 26.2 44.5 142 437 A V - 0 0 70 -2,-0.3 3,-0.1 1,-0.0 -8,-0.1 -0.735 46.3-136.0 -77.7 124.3 25.1 25.7 47.5 143 438 A P - 0 0 32 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 -0.283 32.7 -69.1 -81.4 170.9 24.7 29.2 49.1 144 439 A D >> - 0 0 135 1,-0.1 4,-2.4 4,-0.1 3,-0.6 -0.052 56.7 -96.6 -54.6 158.9 24.6 30.0 52.8 145 440 A E H 3> S+ 0 0 73 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.796 117.8 52.3 -53.2 -43.4 21.7 28.8 54.9 146 441 A P H 3> S+ 0 0 88 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.899 114.9 42.2 -68.6 -35.4 19.5 31.9 54.9 147 442 A V H <> S+ 0 0 65 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.943 117.6 46.5 -71.1 -48.5 19.6 32.2 51.1 148 443 A L H X S+ 0 0 10 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.941 113.0 50.5 -52.4 -53.6 19.1 28.4 50.6 149 444 A A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 5,-0.2 0.912 110.4 47.8 -57.9 -44.8 16.3 28.3 53.1 150 445 A E H X S+ 0 0 50 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.921 111.8 51.6 -64.8 -42.2 14.4 31.2 51.6 151 446 A H H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.943 110.1 46.9 -57.7 -50.9 14.7 29.7 48.2 152 447 A L H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.882 112.4 50.1 -62.6 -38.6 13.4 26.2 49.2 153 448 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.864 109.7 51.6 -67.5 -36.8 10.4 27.8 51.0 154 449 A R H X S+ 0 0 41 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.902 110.2 48.6 -64.9 -41.8 9.6 29.9 48.0 155 450 A K H X S+ 0 0 11 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.967 113.6 47.0 -62.2 -50.4 9.7 26.9 45.8 156 451 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.913 112.1 49.8 -54.5 -45.7 7.4 25.0 48.2 157 452 A A H X S+ 0 0 9 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.893 109.5 52.4 -63.2 -37.7 5.1 28.0 48.5 158 453 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.952 109.7 48.5 -60.5 -47.5 5.0 28.1 44.7 159 454 A I H X S+ 0 0 1 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.935 110.4 51.3 -58.6 -48.7 4.0 24.5 44.5 160 455 A W H < S+ 0 0 94 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.884 116.1 41.3 -54.5 -43.7 1.3 25.0 47.1 161 456 A A H < S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 116.2 48.2 -75.3 -33.5 -0.2 27.9 45.2 162 457 A L H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.569 86.8 84.1 -90.8 -10.8 0.2 26.4 41.7 163 458 A E H X S+ 0 0 28 -4,-1.4 4,-2.6 -5,-0.2 5,-0.2 0.957 91.9 46.7 -59.3 -53.3 -1.4 22.9 42.2 164 459 A R H > S+ 0 0 86 -4,-0.4 4,-2.6 1,-0.2 5,-0.2 0.935 114.2 45.5 -60.0 -48.1 -5.0 24.0 41.8 165 460 A P H > S+ 0 0 42 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.899 113.8 49.2 -66.1 -36.1 -4.4 26.0 38.6 166 461 A F H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.945 113.4 47.0 -63.5 -42.7 -2.3 23.4 37.0 167 462 A L H X S+ 0 0 52 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.893 109.8 53.1 -68.6 -40.4 -4.8 20.7 37.8 168 463 A D H X S+ 0 0 77 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.932 111.7 46.3 -59.0 -45.7 -7.7 22.8 36.5 169 464 A E H X S+ 0 0 38 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.949 110.9 51.3 -63.9 -46.5 -5.9 23.3 33.2 170 465 A L H <>S+ 0 0 0 -4,-2.6 5,-3.2 1,-0.2 6,-0.6 0.924 110.4 51.4 -52.1 -43.7 -5.0 19.6 32.9 171 466 A R H ><5S+ 0 0 170 -4,-2.6 3,-2.0 4,-0.2 -1,-0.2 0.943 107.6 50.4 -61.7 -46.3 -8.7 18.9 33.5 172 467 A R H 3<5S+ 0 0 164 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.895 112.7 48.0 -58.5 -40.3 -9.8 21.3 30.7 173 468 A N T 3<5S- 0 0 21 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.358 115.5-118.2 -75.7 1.9 -7.3 19.6 28.4 174 469 A E T < 5S+ 0 0 126 -3,-2.0 -3,-0.2 -5,-0.2 4,-0.2 0.890 84.8 117.8 52.5 45.0 -8.6 16.1 29.5 175 470 A Q >< + 0 0 0 -5,-3.2 4,-1.5 -6,-0.2 -4,-0.2 0.215 35.3 99.2-119.4 9.8 -5.1 15.4 30.7 176 471 A D H > S+ 0 0 36 -6,-0.6 4,-2.6 2,-0.2 5,-0.2 0.936 88.2 40.7 -69.3 -47.1 -5.9 14.9 34.4 177 472 A R H >>S+ 0 0 158 1,-0.2 4,-3.4 2,-0.2 5,-0.7 0.898 108.3 62.9 -67.8 -39.3 -5.9 11.1 34.3 178 473 A L H >>S+ 0 0 10 1,-0.2 5,-2.4 3,-0.2 4,-0.6 0.878 112.2 37.1 -52.1 -39.0 -2.9 11.2 32.1 179 474 A L H <>S+ 0 0 0 -4,-1.5 5,-2.5 3,-0.2 -2,-0.2 0.956 124.9 37.8 -74.1 -55.0 -1.0 12.9 35.0 180 475 A V H <5S+ 0 0 71 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.817 127.7 30.6 -73.1 -32.3 -2.5 11.0 37.9 181 476 A E H <5S+ 0 0 100 -4,-3.4 -1,-0.2 -5,-0.2 -3,-0.2 0.541 132.3 19.6-109.0 -11.3 -2.9 7.5 36.4 182 477 A L T X S+ 0 0 43 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.890 112.6 55.4 -64.0 -35.2 2.8 6.2 38.8 186 481 A L H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.874 99.5 62.8 -59.4 -34.2 5.3 5.8 36.0 187 482 A S H X S+ 0 0 4 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.902 103.2 47.3 -59.3 -44.5 7.6 8.1 37.9 188 483 A S H X S+ 0 0 70 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.911 112.1 50.1 -60.4 -44.9 7.7 5.7 40.9 189 484 A I H X S+ 0 0 9 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.914 110.8 48.7 -61.4 -45.7 8.5 2.8 38.6 190 485 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.877 107.2 56.6 -63.6 -36.7 11.3 4.7 36.9 191 486 A A H X S+ 0 0 1 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.904 109.1 46.2 -59.9 -43.5 12.7 5.6 40.3 192 487 A E H X S+ 0 0 87 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.900 112.2 51.5 -64.0 -41.3 12.9 1.9 41.2 193 488 A M H X S+ 0 0 4 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.901 112.5 44.6 -63.1 -42.8 14.5 1.1 37.8 194 489 A E H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.918 114.8 48.2 -71.1 -45.3 17.1 3.7 38.2 195 490 A F H < S+ 0 0 74 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.920 111.9 48.9 -59.6 -47.6 17.9 2.8 41.8 196 491 A A H < S+ 0 0 16 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.915 94.5 179.5 -56.9 -46.9 18.1 -0.9 41.0 197 492 A G < - 0 0 4 -4,-2.0 2,-0.4 -5,-0.2 111,-0.2 -0.011 29.8 -76.4 68.3-177.1 20.5 -0.1 38.1 198 493 A V E -F 307 0B 7 109,-2.4 109,-2.2 -4,-0.1 2,-0.2 -0.986 38.7-122.1-128.0 130.4 22.1 -2.6 35.6 199 494 A K E -FG 306 346B 54 147,-0.6 147,-2.2 -2,-0.4 2,-0.5 -0.444 24.4-155.5 -72.4 133.3 25.1 -4.7 36.4 200 495 A V E - G 0 345B 3 105,-3.4 2,-1.6 145,-0.2 145,-0.2 -0.934 16.9-139.4-113.8 133.3 28.2 -4.3 34.2 201 496 A D > - 0 0 63 143,-3.0 4,-1.6 -2,-0.5 3,-0.4 -0.650 27.8-178.9 -83.0 84.8 30.9 -6.9 33.7 202 497 A T H > S+ 0 0 47 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.826 74.3 59.1 -61.8 -32.3 33.7 -4.4 33.8 203 498 A K H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 104.3 52.7 -64.7 -37.9 36.4 -7.0 33.2 204 499 A R H > S+ 0 0 70 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.934 110.8 45.9 -63.1 -44.7 34.8 -7.8 29.9 205 500 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 1,-0.2 -1,-0.2 0.855 109.1 56.0 -63.6 -39.4 34.7 -4.2 28.8 206 501 A E H X S+ 0 0 106 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.895 109.8 44.3 -63.9 -39.6 38.3 -3.6 29.9 207 502 A Q H X S+ 0 0 107 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.882 111.9 52.7 -75.4 -31.8 39.5 -6.5 27.7 208 503 A M H X S+ 0 0 18 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.944 109.5 51.4 -58.8 -44.0 37.3 -5.2 24.8 209 504 A G H X S+ 0 0 10 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.805 107.7 51.8 -59.1 -35.1 39.0 -1.9 25.5 210 505 A E H X S+ 0 0 148 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.921 111.7 45.5 -69.5 -46.6 42.5 -3.6 25.2 211 506 A E H X S+ 0 0 114 -4,-2.3 4,-2.7 2,-0.2 3,-0.4 0.964 113.6 49.4 -57.5 -56.8 41.6 -5.2 21.9 212 507 A L H X S+ 0 0 17 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.898 106.7 55.8 -50.7 -46.7 40.2 -2.0 20.5 213 508 A A H X S+ 0 0 49 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.908 110.6 45.8 -55.5 -40.5 43.3 -0.0 21.6 214 509 A E H X S+ 0 0 148 -4,-1.6 4,-1.8 -3,-0.4 -2,-0.2 0.938 114.6 45.9 -68.5 -48.1 45.4 -2.5 19.6 215 510 A Q H X S+ 0 0 100 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.832 112.0 52.3 -63.6 -34.8 43.1 -2.4 16.5 216 511 A 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32 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.823 116.1 46.7 -74.4 -32.7 48.4 6.1 3.3 227 522 A A H <5S- 0 0 1 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.677 104.6-130.7 -78.6 -20.3 48.4 9.8 3.9 228 523 A G T <5S+ 0 0 63 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.487 80.1 48.7 77.4 4.9 52.2 10.0 3.8 229 524 A Q S - 0 0 77 -2,-0.3 3,-2.1 1,-0.2 7,-0.3 -0.620 38.3-167.6 -74.9 97.6 45.0 14.6 14.2 233 528 A I T 3 S+ 0 0 1 -2,-1.4 -1,-0.2 1,-0.3 6,-0.1 0.741 85.9 55.3 -56.4 -25.0 42.5 12.3 12.4 234 529 A N T 3 S+ 0 0 102 -3,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.517 86.3 95.5 -89.5 -6.5 39.7 13.6 14.8 235 530 A S <> - 0 0 20 -3,-2.1 4,-2.1 1,-0.1 5,-0.3 -0.772 65.0-153.5 -84.8 118.9 40.4 17.3 13.8 236 531 A P H > S+ 0 0 98 0, 0.0 4,-1.5 0, 0.0 23,-0.2 0.813 94.5 51.6 -63.8 -28.7 38.0 18.4 11.0 237 532 A K H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.975 113.2 42.4 -67.8 -52.4 40.5 21.0 9.8 238 533 A Q H > S+ 0 0 87 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.833 116.2 46.9 -65.3 -38.4 43.5 18.6 9.5 239 534 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 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S+ 0 0 99 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 -0.374 108.8 22.9 -72.5 144.5 23.8 -15.3 40.1 351 646 A D T 3 S+ 0 0 103 1,-0.3 192,-2.6 191,-0.1 193,-0.3 0.663 99.2 120.5 68.1 17.3 21.4 -17.7 38.4 352 647 A W E < -K 542 0E 22 -3,-1.4 2,-0.3 190,-0.3 -1,-0.3 -0.685 47.0-155.2-101.8 161.3 19.5 -14.7 37.0 353 648 A L E -K 541 0E 34 188,-3.2 188,-2.2 -2,-0.2 2,-0.4 -0.968 18.0-113.1-135.3 155.0 18.9 -13.9 33.4 354 649 A I E -KL 540 574E 4 220,-2.2 220,-1.9 -2,-0.3 2,-0.4 -0.742 29.1-166.8 -86.2 135.2 18.2 -10.9 31.2 355 650 A F E -KL 539 573E 0 184,-2.9 184,-3.7 -2,-0.4 2,-0.4 -0.993 3.8-173.0-129.8 124.0 14.7 -10.8 29.5 356 651 A A E -KL 538 572E 3 216,-2.5 216,-1.9 -2,-0.4 2,-0.4 -0.970 3.8-177.5-123.7 129.1 13.9 -8.4 26.7 357 652 A A E -KL 537 571E 0 180,-2.8 180,-3.0 -2,-0.4 2,-0.4 -0.993 8.1-177.8-126.7 135.6 10.5 -7.9 25.1 358 653 A D E -KL 536 570E 42 212,-2.7 212,-3.0 -2,-0.4 2,-0.3 -0.991 27.9-114.5-136.1 142.3 9.9 -5.5 22.2 359 654 A Y E - L 0 569E 3 176,-2.8 2,-0.7 -2,-0.4 3,-0.3 -0.528 29.1-128.8 -65.5 135.2 6.9 -4.4 20.2 360 655 A S S S- 0 0 27 208,-3.2 208,-0.4 -2,-0.3 5,-0.1 -0.829 80.2 -27.7 -90.2 112.1 6.9 -5.4 16.6 361 656 A Q S > S+ 0 0 70 -2,-0.7 4,-2.0 1,-0.1 -1,-0.2 0.881 76.6 167.4 53.4 50.0 6.3 -2.3 14.4 362 657 A I H > S+ 0 0 6 -3,-0.3 4,-3.0 2,-0.2 5,-0.2 0.908 71.3 53.6 -62.0 -37.8 4.3 -0.4 17.0 363 658 A E H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.948 111.3 43.3 -62.2 -51.9 4.5 2.9 15.0 364 659 A L H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.845 114.2 52.0 -64.1 -34.0 3.1 1.5 11.8 365 660 A R H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.920 110.5 47.6 -68.1 -43.1 0.4 -0.4 13.8 366 661 A V H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.905 111.3 52.0 -57.3 -45.6 -0.6 2.8 15.6 367 662 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 6,-0.3 0.904 107.9 51.1 -58.7 -44.2 -0.7 4.5 12.2 368 663 A A H X>S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 5,-0.7 0.905 113.4 46.6 -58.2 -41.9 -2.9 1.8 10.9 369 664 A H H <5S+ 0 0 29 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.946 116.9 40.3 -66.8 -49.1 -5.2 2.3 13.9 370 665 A I H <5S+ 0 0 42 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.862 121.0 42.7 -74.6 -34.6 -5.4 6.1 13.7 371 666 A A H <5S- 0 0 14 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.699 92.5-144.2 -75.7 -23.9 -5.6 6.3 9.9 372 667 A E T <5 + 0 0 99 -4,-1.3 2,-0.7 -5,-0.3 -3,-0.2 0.880 31.1 176.4 49.1 44.7 -8.1 3.5 9.7 373 668 A D >< - 0 0 2 -5,-0.7 4,-2.7 -6,-0.3 5,-0.3 -0.669 24.2-151.3 -79.4 115.2 -6.4 2.5 6.5 374 669 A D H > S+ 0 0 125 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.887 92.5 47.6 -53.6 -45.5 -8.1 -0.7 5.3 375 670 A N H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.910 115.0 44.4 -66.3 -44.9 -5.1 -2.0 3.4 376 671 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.871 113.6 49.9 -69.3 -36.7 -2.6 -1.3 6.3 377 672 A M H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.914 111.8 48.9 -69.6 -43.0 -4.9 -2.7 9.0 378 673 A E H X S+ 0 0 78 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.930 107.5 56.2 -58.2 -46.8 -5.5 -5.9 6.9 379 674 A A H <>S+ 0 0 2 -4,-2.3 5,-2.5 1,-0.2 -1,-0.2 0.915 112.6 40.3 -53.4 -44.9 -1.7 -6.2 6.4 380 675 A F H ><5S+ 0 0 6 -4,-1.8 3,-1.1 3,-0.2 -1,-0.2 0.827 109.6 59.2 -76.0 -30.5 -1.3 -6.2 10.2 381 676 A R H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.786 109.7 45.0 -63.8 -29.7 -4.3 -8.4 10.8 382 677 A R T 3<5S- 0 0 152 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.384 110.8-128.3 -85.2 -2.8 -2.5 -11.0 8.6 383 678 A D T < 5 + 0 0 77 -3,-1.1 -3,-0.2 -5,-0.2 -4,-0.1 0.861 47.2 175.0 50.5 42.1 0.7 -10.3 10.5 384 679 A L < - 0 0 59 -5,-2.5 2,-0.7 -6,-0.2 -1,-0.1 -0.274 47.0 -95.4 -72.5 158.6 2.5 -9.7 7.1 385 680 A D > - 0 0 75 1,-0.2 4,-2.7 2,-0.1 5,-0.2 -0.689 43.5-152.5 -67.0 113.8 6.0 -8.6 6.7 386 681 A I H > S+ 0 0 6 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.848 87.3 48.6 -71.7 -35.3 5.1 -5.0 6.4 387 682 A H H > S+ 0 0 7 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 113.0 47.9 -71.2 -39.9 8.0 -3.8 4.3 388 683 A T H > S+ 0 0 23 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.939 112.9 48.8 -63.3 -46.8 7.6 -6.7 1.8 389 684 A K H X S+ 0 0 32 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.926 111.5 49.8 -59.1 -43.1 3.8 -6.0 1.6 390 685 A T H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.894 109.9 50.7 -64.4 -42.2 4.6 -2.3 1.0 391 686 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 6,-0.2 0.939 108.9 52.6 -56.5 -47.2 7.1 -3.2 -1.8 392 687 A M H <>S+ 0 0 52 -4,-2.6 5,-1.7 1,-0.2 4,-0.4 0.872 114.5 42.5 -57.1 -39.1 4.5 -5.4 -3.4 393 688 A D H <5S+ 0 0 34 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.903 115.8 43.3 -79.2 -44.9 2.0 -2.6 -3.4 394 689 A I H <5S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.805 124.7 37.0 -76.8 -25.9 4.1 0.3 -4.5 395 690 A F T <5S- 0 0 52 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.436 102.7-130.5 -98.7 -2.6 5.8 -1.7 -7.2 396 691 A Q T 5 + 0 0 144 -4,-0.4 2,-0.3 -5,-0.2 -3,-0.2 0.939 60.9 133.8 55.3 49.8 2.7 -3.7 -8.2 397 692 A V < - 0 0 33 -5,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.860 59.1-104.9-127.8 163.3 4.5 -7.1 -7.9 398 693 A S > - 0 0 53 -2,-0.3 3,-1.6 -3,-0.1 4,-0.3 -0.449 42.3-102.1 -79.1 160.3 3.9 -10.5 -6.4 399 694 A E G > S+ 0 0 128 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.859 123.6 55.3 -51.5 -40.1 5.7 -11.5 -3.3 400 695 A D G 3 S+ 0 0 164 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.695 103.1 56.3 -70.3 -20.6 8.1 -13.6 -5.3 401 696 A E G < S+ 0 0 119 -3,-1.6 2,-0.7 2,-0.1 -1,-0.3 0.382 78.6 109.3 -90.3 1.2 9.0 -10.6 -7.5 402 697 A V < - 0 0 28 -3,-1.5 -10,-0.1 -4,-0.3 -14,-0.0 -0.736 56.4-158.7 -81.2 116.8 10.1 -8.5 -4.5 403 698 A T > - 0 0 67 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.410 30.4-106.0 -84.2 165.2 13.9 -8.1 -4.7 404 699 A P H > S+ 0 0 117 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.924 122.7 49.7 -59.3 -41.9 16.1 -7.2 -1.7 405 700 A N H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.876 108.9 52.3 -64.2 -38.3 16.6 -3.7 -3.1 406 701 A M H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.893 110.9 47.9 -58.4 -41.8 12.9 -3.3 -3.6 407 702 A R H X S+ 0 0 74 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.911 109.6 52.3 -67.7 -43.7 12.3 -4.3 0.0 408 703 A R H X S+ 0 0 122 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.858 111.0 47.2 -60.1 -39.6 14.9 -1.9 1.3 409 704 A Q H X S+ 0 0 28 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.890 109.7 51.4 -73.1 -40.0 13.4 1.0 -0.5 410 705 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.873 109.7 53.4 -60.5 -35.7 9.8 0.2 0.6 411 706 A K H X S+ 0 0 83 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.920 107.5 48.6 -66.0 -45.4 11.2 0.1 4.1 412 707 A A H X S+ 0 0 16 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.861 110.9 52.0 -61.2 -37.6 12.8 3.5 3.8 413 708 A V H X S+ 0 0 2 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.938 106.2 53.7 -64.0 -45.7 9.4 4.8 2.4 414 709 A N H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.890 111.1 45.8 -57.2 -43.0 7.6 3.4 5.4 415 710 A F H X S+ 0 0 84 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.888 112.1 52.4 -65.1 -40.0 10.0 5.2 7.8 416 711 A G H <>S+ 0 0 11 -4,-2.1 5,-3.3 1,-0.2 -2,-0.2 0.933 108.0 49.6 -61.5 -47.0 9.5 8.4 5.7 417 712 A I H ><5S+ 0 0 10 -4,-3.0 3,-1.2 3,-0.2 -1,-0.2 0.899 111.8 50.1 -58.7 -41.0 5.7 8.1 5.9 418 713 A V H 3<5S+ 0 0 3 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.909 112.5 45.1 -66.0 -44.3 6.1 7.7 9.7 419 714 A Y T 3<5S- 0 0 110 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.246 115.0-116.5 -82.8 11.9 8.4 10.8 10.0 420 715 A G T < 5 + 0 0 8 -3,-1.2 -3,-0.2 77,-0.1 -2,-0.1 0.695 54.4 177.8 64.3 22.4 6.1 12.8 7.7 421 716 A I < - 0 0 52 -5,-3.3 2,-0.2 -6,-0.2 -1,-0.1 -0.026 16.8-143.8 -70.4 162.5 8.9 13.0 5.2 422 717 A S > - 0 0 46 1,-0.0 4,-2.1 19,-0.0 5,-0.4 -0.720 35.7 -84.2-119.9 167.6 8.8 14.7 1.8 423 718 A D H > S+ 0 0 73 -2,-0.2 4,-2.3 1,-0.2 14,-0.1 0.840 124.4 50.0 -38.7 -50.3 10.3 14.1 -1.7 424 719 A Y H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.952 112.2 43.6 -61.3 -54.1 13.5 15.9 -0.8 425 720 A G H > S+ 0 0 27 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.771 114.8 48.9 -66.2 -29.5 14.3 14.1 2.5 426 721 A L H X S+ 0 0 6 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.865 108.3 57.5 -72.2 -40.1 13.5 10.6 1.1 427 722 A A H X>S+ 0 0 9 -4,-2.3 5,-2.6 -5,-0.4 4,-0.6 0.940 107.3 45.7 -47.4 -57.0 15.7 11.6 -1.9 428 723 A Q H <5S+ 0 0 131 -4,-2.2 3,-0.5 3,-0.2 -1,-0.2 0.888 115.7 49.0 -55.1 -41.4 18.7 12.2 0.5 429 724 A N H <5S+ 0 0 117 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.918 116.3 37.3 -71.3 -46.0 17.9 8.9 2.2 430 725 A L H <5S- 0 0 8 -4,-3.2 -1,-0.2 2,-0.1 -2,-0.2 0.391 108.3-120.3 -84.8 4.6 17.5 6.6 -0.8 431 726 A N T <5S+ 0 0 114 -4,-0.6 2,-0.2 -3,-0.5 -3,-0.2 0.940 75.6 117.8 47.1 52.3 20.3 8.4 -2.5 432 727 A I < - 0 0 41 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.1 -0.736 67.7 -76.7-132.8-177.2 17.9 9.3 -5.3 433 728 A S > - 0 0 56 -2,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.459 35.3-117.8 -84.9 157.1 16.3 12.3 -7.1 434 729 A R H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.934 113.4 52.3 -56.5 -50.8 13.5 14.4 -5.8 435 730 A K H > S+ 0 0 65 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.854 110.4 48.9 -59.0 -36.2 11.1 13.6 -8.6 436 731 A E H >> S+ 0 0 94 2,-0.2 4,-1.6 1,-0.2 3,-1.0 0.957 109.7 50.9 -67.7 -51.3 11.7 9.8 -8.1 437 732 A A H 3X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.3 3,-0.4 0.906 107.7 55.1 -46.7 -49.6 11.1 10.1 -4.3 438 733 A A H 3X S+ 0 0 37 -4,-2.7 4,-1.6 1,-0.2 -1,-0.3 0.753 104.6 53.1 -58.3 -30.5 7.8 12.0 -5.2 439 734 A E H X S+ 0 0 0 -4,-3.3 4,-2.0 1,-0.2 3,-0.7 0.957 108.5 47.9 -55.4 -54.8 2.4 4.7 -1.4 445 740 A F H 3< S+ 0 0 38 -4,-2.6 7,-0.2 1,-0.3 -1,-0.2 0.763 106.4 58.4 -65.4 -24.8 -0.7 6.9 -1.0 446 741 A E H 3< S+ 0 0 124 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.855 113.2 38.8 -68.7 -36.2 -2.4 5.1 -3.8 447 742 A S H << S+ 0 0 16 -4,-1.5 -2,-0.2 -3,-0.7 -1,-0.2 0.739 127.8 36.5 -81.3 -24.6 -2.0 1.9 -2.0 448 743 A F >X + 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 3,-0.8 -0.521 64.1 159.0-128.0 64.6 -2.7 3.5 1.4 449 744 A P H 3> S+ 0 0 52 0, 0.0 4,-2.5 0, 0.0 -1,-0.1 0.787 74.7 60.1 -62.6 -26.8 -5.4 6.2 0.8 450 745 A G H 3> S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.857 103.5 50.7 -65.5 -37.3 -6.3 6.2 4.5 451 746 A V H <> S+ 0 0 0 -3,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.914 110.2 49.3 -69.1 -42.9 -2.8 7.2 5.5 452 747 A K H X S+ 0 0 90 -4,-1.7 4,-2.4 -7,-0.2 5,-0.2 0.963 110.9 50.8 -54.3 -54.8 -2.9 10.1 2.9 453 748 A R H X S+ 0 0 126 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.917 111.7 47.4 -48.1 -51.5 -6.2 11.1 4.3 454 749 A Y H X S+ 0 0 21 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.923 109.6 52.2 -56.7 -50.2 -4.8 11.1 7.9 455 750 A M H X S+ 0 0 12 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.873 115.4 42.8 -58.1 -38.0 -1.7 13.0 6.8 456 751 A E H X S+ 0 0 95 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.925 116.1 47.1 -70.8 -48.1 -4.0 15.7 5.3 457 752 A N H X S+ 0 0 104 -4,-3.2 4,-1.8 -5,-0.2 -2,-0.2 0.811 109.6 51.7 -67.0 -32.7 -6.5 15.8 8.1 458 753 A I H X S+ 0 0 15 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.874 107.5 51.7 -77.0 -37.5 -4.0 16.0 10.9 459 754 A V H X S+ 0 0 16 -4,-1.1 4,-1.9 -5,-0.3 -2,-0.2 0.913 112.9 46.6 -62.2 -43.8 -2.1 18.9 9.4 460 755 A Q H X S+ 0 0 105 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.849 111.7 51.0 -64.9 -37.0 -5.4 20.8 9.1 461 756 A E H X>S+ 0 0 69 -4,-1.8 4,-2.9 2,-0.2 5,-0.5 0.913 107.7 52.6 -68.2 -37.9 -6.4 19.8 12.6 462 757 A A H X5S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 16,-0.2 0.911 112.6 45.9 -60.7 -41.5 -3.0 21.1 13.8 463 758 A K H <5S+ 0 0 120 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.915 116.7 44.1 -66.5 -42.7 -3.8 24.4 12.0 464 759 A Q H <5S+ 0 0 140 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.927 127.5 26.5 -72.2 -47.2 -7.4 24.7 13.4 465 760 A K H <5S- 0 0 91 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.753 98.7-124.8 -88.2 -29.2 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