==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 19-FEB-12 4DSI . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR J.H.GAN,R.ABDUR,H.H.LIU,J.SHENG,J.CATON-WILLIANS,A.S.SOARES, . 581 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 72.5 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 . 30 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 3.4 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 2 1 3 1 4 2 2 0 0 1 3 0 0 1 1 0 0 0 0 0 0 1 0 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 G 0 0 131 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 78.3 -13.1 -41.3 47.5 2 297 A S - 0 0 98 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.316 360.0 -97.6 -71.5 169.5 -11.1 -41.2 50.8 3 298 A K - 0 0 173 -2,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.696 19.2-135.0 -99.2 142.9 -11.2 -38.0 52.9 4 299 A M - 0 0 30 -2,-0.3 2,-0.2 146,-0.0 150,-0.1 -0.856 33.2-121.0 -87.5 131.6 -8.6 -35.2 53.0 5 300 A A + 0 0 73 -2,-0.5 2,-0.3 148,-0.0 43,-0.0 -0.503 47.2 141.5 -75.7 140.7 -7.9 -34.2 56.6 6 301 A F - 0 0 59 -2,-0.2 2,-0.7 41,-0.1 43,-0.2 -0.951 51.9 -96.4-164.5 160.8 -8.6 -30.6 57.8 7 302 A T E -a 49 0A 73 41,-2.9 43,-2.7 -2,-0.3 2,-1.6 -0.754 22.1-151.6 -81.7 111.8 -9.9 -28.7 60.8 8 303 A L E -a 50 0A 67 -2,-0.7 43,-0.1 41,-0.2 2,-0.1 -0.698 33.6-151.0 -78.9 91.7 -13.5 -27.7 60.5 9 304 A A - 0 0 6 41,-2.1 43,-0.5 -2,-1.6 3,-0.1 -0.394 29.9-167.9 -77.8 138.4 -12.9 -24.6 62.7 10 305 A D S S+ 0 0 129 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.587 80.8 17.5 -96.8 -8.3 -15.6 -23.0 64.9 11 306 A R S S- 0 0 152 44,-0.0 2,-0.4 45,-0.0 -1,-0.2 -0.980 86.6 -94.9-155.2 163.8 -13.3 -19.9 65.4 12 307 A V - 0 0 2 -2,-0.3 2,-0.2 43,-0.1 49,-0.1 -0.645 38.5-171.8 -85.0 127.0 -10.3 -18.1 64.0 13 308 A T > - 0 0 36 -2,-0.4 3,-1.5 1,-0.1 4,-0.2 -0.735 36.6-106.8-116.7 165.8 -6.8 -18.9 65.5 14 309 A E G > S+ 0 0 140 1,-0.3 3,-1.8 -2,-0.2 -1,-0.1 0.801 115.9 60.8 -61.3 -32.0 -3.4 -17.3 64.9 15 310 A E G > S+ 0 0 93 1,-0.3 3,-0.6 2,-0.1 31,-0.3 0.662 94.1 66.2 -73.4 -13.0 -2.0 -20.2 62.9 16 311 A M G < S+ 0 0 4 -3,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.544 96.5 60.1 -75.3 -7.1 -4.8 -19.5 60.4 17 312 A L G < + 0 0 27 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.1 -0.157 68.2 149.7-123.4 38.1 -3.1 -16.2 59.6 18 313 A A < - 0 0 15 -3,-0.6 -3,-0.0 2,-0.1 3,-0.0 -0.171 60.6-108.0 -60.1 159.4 0.4 -17.1 58.3 19 314 A D S S+ 0 0 99 1,-0.1 53,-2.3 52,-0.1 2,-0.3 0.384 105.1 43.7 -81.4 7.9 2.0 -14.7 55.8 20 315 A K E S+b 72 0A 77 51,-0.2 25,-0.5 2,-0.1 2,-0.3 -0.914 71.7 143.8-146.4 127.2 1.5 -17.3 52.9 21 316 A A E -b 73 0A 0 51,-1.8 53,-2.6 -2,-0.3 2,-0.5 -0.991 49.9-118.3-155.0 147.0 -1.6 -19.3 52.2 22 317 A A E -bC 74 43A 0 21,-2.5 21,-2.5 -2,-0.3 2,-0.4 -0.812 43.8-165.3 -74.5 130.3 -3.9 -20.7 49.6 23 318 A L E - C 0 42A 1 51,-2.9 2,-0.4 -2,-0.5 53,-0.3 -0.967 17.7-170.7-123.6 139.6 -7.2 -19.0 50.2 24 319 A V E - C 0 41A 10 17,-2.4 17,-2.3 -2,-0.4 2,-0.6 -0.991 4.9-179.3-127.5 121.3 -10.7 -19.9 48.8 25 320 A V E - C 0 40A 9 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.917 30.7-145.0-115.8 95.6 -13.5 -17.4 49.4 26 321 A E E + C 0 39A 19 13,-2.0 12,-2.4 -2,-0.6 13,-0.7 -0.501 27.3 175.9 -86.4 124.6 -16.2 -19.3 47.8 27 322 A V - 0 0 6 -2,-0.4 10,-0.1 10,-0.2 5,-0.1 -0.968 4.4-176.3-121.4 115.6 -19.0 -17.6 45.8 28 323 A V + 0 0 10 -2,-0.5 -1,-0.1 8,-0.4 9,-0.1 0.893 54.1 93.8 -84.6 -41.4 -21.3 -20.1 44.2 29 324 A E S S- 0 0 114 7,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.247 75.0-133.6 -48.6 135.4 -23.7 -17.8 42.3 30 325 A E S S+ 0 0 149 1,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.957 100.6 53.1 -56.6 -56.1 -22.5 -17.2 38.7 31 326 A N S S- 0 0 31 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.769 76.7-168.3 -85.6 110.8 -23.0 -13.5 38.9 32 327 A Y > + 0 0 3 -2,-0.9 3,-1.3 3,-0.1 2,-0.3 0.408 41.6 122.5 -85.1 -2.0 -21.0 -12.6 42.0 33 328 A H T 3 S- 0 0 6 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.504 96.3 -13.6 -67.0 120.1 -22.2 -9.0 42.6 34 329 A D T 3 S+ 0 0 89 -2,-0.3 -1,-0.3 49,-0.3 50,-0.1 0.859 106.5 147.7 58.0 37.5 -23.7 -8.7 46.1 35 330 A A < - 0 0 9 -3,-1.3 -1,-0.2 1,-0.1 2,-0.1 -0.627 52.4 -88.9-107.2 161.9 -23.7 -12.5 46.3 36 331 A P - 0 0 74 0, 0.0 2,-0.7 0, 0.0 -8,-0.4 -0.395 23.2-140.9 -70.4 143.8 -23.3 -14.8 49.3 37 332 A I - 0 0 11 -10,-0.1 -10,-0.2 1,-0.1 3,-0.1 -0.937 20.7-169.8 -95.1 115.8 -19.9 -16.1 50.3 38 333 A V - 0 0 32 -12,-2.4 2,-0.3 -2,-0.7 -11,-0.1 0.680 55.3 -19.0 -87.4 -14.5 -20.8 -19.7 51.2 39 334 A G E -C 26 0A 0 -13,-0.7 -13,-2.0 13,-0.1 2,-0.4 -0.970 54.7-130.7-179.2 164.2 -17.6 -20.9 52.9 40 335 A I E -CD 25 51A 0 11,-1.8 11,-2.5 -2,-0.3 2,-0.4 -0.996 14.0-171.2-134.8 137.1 -13.9 -20.2 53.4 41 336 A A E -CD 24 50A 0 -17,-2.3 -17,-2.4 -2,-0.4 2,-0.4 -0.987 1.2-174.9-128.4 140.3 -10.8 -22.4 53.2 42 337 A V E -CD 23 49A 0 7,-2.3 7,-3.0 -2,-0.4 2,-0.4 -0.999 2.2-178.4-127.1 131.2 -7.2 -21.6 54.1 43 338 A V E +CD 22 48A 6 -21,-2.5 -21,-2.5 -2,-0.4 2,-0.2 -0.996 22.8 141.2-123.5 133.7 -4.2 -24.0 53.5 44 339 A N E > - D 0 47A 6 3,-1.9 3,-1.2 -2,-0.4 -23,-0.1 -0.830 69.4 -66.9-147.6-169.7 -0.8 -22.8 54.8 45 340 A E T 3 S+ 0 0 152 -25,-0.5 3,-0.1 1,-0.2 -24,-0.1 0.768 127.9 57.3 -58.0 -22.1 2.3 -24.4 56.4 46 341 A H T 3 S- 0 0 88 -31,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.642 116.4 -88.7 -92.0 -15.3 0.3 -25.0 59.6 47 342 A G E < - D 0 44A 28 -3,-1.2 -3,-1.9 -32,-0.1 2,-0.4 -0.962 52.2 -46.6 147.4-153.0 -2.4 -27.1 58.1 48 343 A R E - D 0 43A 96 -2,-0.3 -41,-2.9 -5,-0.2 2,-0.4 -0.968 47.7-172.6-129.7 130.0 -5.8 -27.0 56.5 49 344 A F E -aD 7 42A 3 -7,-3.0 -7,-2.3 -2,-0.4 2,-0.5 -0.963 18.0-163.8-136.6 129.9 -8.8 -25.0 57.7 50 345 A F E -aD 8 41A 2 -43,-2.7 -41,-2.1 -2,-0.4 2,-0.4 -0.970 17.5-176.5-106.9 134.4 -12.5 -24.5 56.9 51 346 A L E - D 0 40A 1 -11,-2.5 -11,-1.8 -2,-0.5 -41,-0.1 -0.975 26.9-124.8-125.7 137.7 -14.2 -21.4 58.4 52 347 A R > - 0 0 65 -43,-0.5 4,-2.7 -2,-0.4 3,-0.3 -0.610 25.8-128.0 -76.8 142.1 -17.9 -20.5 58.2 53 348 A P H > S+ 0 0 14 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.875 104.9 58.4 -63.6 -38.8 -18.2 -17.0 56.6 54 349 A E H 4 S+ 0 0 137 2,-0.2 4,-0.4 1,-0.2 -15,-0.0 0.861 116.0 37.7 -56.4 -38.2 -20.4 -15.5 59.4 55 350 A T H >> S+ 0 0 43 -3,-0.3 3,-0.9 2,-0.1 4,-0.7 0.971 120.9 42.7 -71.2 -59.7 -17.7 -16.4 61.9 56 351 A A H >< S+ 0 0 0 -4,-2.7 3,-0.8 1,-0.3 7,-0.3 0.884 114.7 47.8 -62.1 -42.5 -14.6 -15.6 59.8 57 352 A L T 3< S+ 0 0 28 -4,-3.0 -1,-0.3 1,-0.3 -3,-0.2 0.613 109.3 53.2 -81.9 -11.4 -15.8 -12.3 58.3 58 353 A A T <4 S+ 0 0 82 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.492 88.5 99.2 -89.2 -7.5 -17.0 -10.9 61.6 59 354 A D S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.766 93.2 52.4 -62.0 -27.1 -11.4 -8.4 63.0 61 356 A Q H > S+ 0 0 94 2,-0.2 4,-2.1 3,-0.2 5,-0.1 0.924 111.6 45.3 -72.6 -44.4 -8.1 -10.3 62.9 62 357 A F H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.918 114.0 49.9 -60.7 -45.1 -9.2 -12.4 59.9 63 358 A V H X S+ 0 0 45 -4,-2.6 4,-1.9 -7,-0.3 -2,-0.2 0.902 111.4 48.4 -58.1 -44.2 -10.5 -9.2 58.2 64 359 A A H X S+ 0 0 63 -4,-1.8 4,-0.7 -5,-0.2 -1,-0.2 0.876 109.9 52.2 -67.3 -36.7 -7.2 -7.4 58.8 65 360 A W H >< S+ 0 0 8 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.936 107.4 53.2 -63.9 -44.7 -5.3 -10.5 57.5 66 361 A L H 3< S+ 0 0 0 -4,-2.6 27,-3.1 1,-0.2 -2,-0.2 0.877 113.7 42.2 -51.7 -44.7 -7.5 -10.3 54.3 67 362 A G H 3< S+ 0 0 34 -4,-1.9 2,-0.7 25,-0.2 -1,-0.2 0.429 90.0 100.6 -90.0 -0.4 -6.6 -6.6 53.8 68 363 A D X< - 0 0 55 -3,-0.9 3,-1.7 -4,-0.7 25,-0.1 -0.752 55.5-162.8 -88.1 115.5 -2.9 -6.9 54.6 69 364 A E T 3 S+ 0 0 123 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.588 86.8 65.9 -80.1 -5.6 -1.0 -7.0 51.5 70 365 A T T 3 S+ 0 0 86 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.489 85.7 81.9 -87.4 -9.2 2.1 -8.4 53.2 71 366 A K S < S- 0 0 60 -3,-1.7 2,-0.3 -6,-0.2 -51,-0.2 -0.877 85.0-144.7 -95.4 105.1 0.0 -11.5 53.9 72 367 A K E -b 20 0A 77 -53,-2.3 -51,-1.8 -2,-0.8 2,-0.4 -0.515 16.8-166.5 -87.0 125.8 0.4 -13.2 50.6 73 368 A K E -be 21 95A 0 21,-3.2 23,-2.2 -2,-0.3 24,-1.4 -0.907 14.0-156.4-116.3 142.6 -2.5 -15.2 49.2 74 369 A S E +be 22 97A 0 -53,-2.6 -51,-2.9 -2,-0.4 2,-0.2 -0.938 32.7 154.8-108.9 131.8 -2.7 -17.7 46.4 75 370 A M E - e 0 98A 3 22,-3.2 24,-3.1 -2,-0.5 2,-0.4 -0.780 43.5-117.3-141.2 179.9 -6.2 -18.1 44.9 76 371 A F S S- 0 0 33 -53,-0.3 5,-0.1 22,-0.2 39,-0.1 -0.992 98.3 -2.6-126.6 126.2 -8.3 -19.0 41.9 77 372 A D S >> S- 0 0 35 -2,-0.4 4,-1.2 3,-0.1 3,-0.6 0.986 71.9-178.7 59.5 59.3 -10.4 -16.2 40.4 78 373 A S H 3> S+ 0 0 11 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.870 75.1 64.5 -60.0 -30.2 -9.3 -13.6 42.9 79 374 A K H 3> S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.916 97.7 53.9 -62.3 -39.5 -11.6 -11.1 41.2 80 375 A R H <> S+ 0 0 50 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.928 114.6 40.2 -56.7 -49.1 -14.7 -13.0 42.1 81 376 A A H X S+ 0 0 3 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.895 113.8 55.1 -67.7 -44.9 -13.8 -13.1 45.8 82 377 A A H X S+ 0 0 17 -4,-3.4 4,-1.8 1,-0.2 -2,-0.2 0.903 112.1 42.3 -54.8 -45.2 -12.6 -9.5 45.7 83 378 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -49,-0.3 0.937 111.7 51.4 -71.5 -47.0 -15.8 -8.1 44.4 84 379 A A H < S+ 0 0 1 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.871 113.6 48.3 -60.1 -32.4 -18.1 -10.2 46.5 85 380 A L H ><>S+ 0 0 0 -4,-2.2 5,-3.3 2,-0.2 3,-0.7 0.826 104.8 57.9 -70.8 -33.7 -16.0 -8.9 49.5 86 381 A K H ><5S+ 0 0 23 -4,-1.8 3,-2.0 1,-0.3 -2,-0.2 0.906 101.1 57.9 -64.1 -38.8 -16.2 -5.3 48.3 87 382 A W T 3<5S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.742 106.7 47.5 -63.2 -21.5 -20.0 -5.7 48.5 88 383 A K T < 5S- 0 0 107 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.143 123.0-106.0 -98.7 15.0 -19.6 -6.5 52.2 89 384 A G T < 5S+ 0 0 69 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.762 79.7 132.5 62.4 29.1 -17.3 -3.5 52.8 90 385 A I < - 0 0 18 -5,-3.3 2,-0.4 -8,-0.1 -2,-0.2 -0.951 47.6-144.7-116.1 129.9 -14.2 -5.8 53.1 91 386 A E - 0 0 98 -2,-0.4 2,-0.5 -28,-0.1 -23,-0.1 -0.704 7.7-156.5 -90.2 132.5 -10.9 -5.2 51.2 92 387 A L + 0 0 22 -2,-0.4 2,-0.3 -25,-0.1 -25,-0.2 -0.967 24.4 164.1-106.8 127.3 -8.9 -8.1 49.9 93 388 A C + 0 0 47 -27,-3.1 -25,-0.2 -2,-0.5 3,-0.1 -0.860 41.4 46.6-136.0 171.8 -5.2 -7.5 49.3 94 389 A G + 0 0 12 -2,-0.3 -21,-3.2 1,-0.2 2,-0.9 0.821 56.6 163.5 68.9 30.9 -1.8 -9.2 48.8 95 390 A V E +e 73 0A 39 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.734 4.6 170.4 -78.9 109.8 -3.1 -11.7 46.2 96 391 A S E + 0 0 41 -23,-2.2 2,-0.3 -2,-0.9 -22,-0.2 0.627 61.0 30.1-101.3 -10.2 0.3 -12.9 44.8 97 392 A F E -e 74 0A 0 -24,-1.4 -22,-3.2 87,-0.1 2,-0.5 -0.957 53.8-171.5-156.2 125.7 -1.0 -15.7 42.6 98 393 A D E > -e 75 0A 2 -2,-0.3 4,-2.3 -24,-0.2 3,-0.3 -0.948 9.1-162.4-118.2 104.8 -4.2 -16.4 40.7 99 394 A L H > S+ 0 0 0 -24,-3.1 4,-2.7 -2,-0.5 5,-0.2 0.853 88.4 59.0 -54.6 -38.4 -4.3 -19.9 39.3 100 395 A L H > S+ 0 0 20 -25,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 110.1 40.8 -59.7 -44.7 -7.1 -19.0 36.9 101 396 A L H > S+ 0 0 2 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.822 112.2 56.5 -76.7 -29.7 -5.1 -16.3 35.2 102 397 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.937 110.3 44.7 -61.4 -46.8 -2.0 -18.5 35.3 103 398 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.917 110.0 56.3 -64.0 -43.3 -3.9 -21.3 33.4 104 399 A Y H < S+ 0 0 10 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.873 109.1 45.1 -59.3 -38.9 -5.3 -18.8 31.0 105 400 A L H < S+ 0 0 2 -4,-1.8 370,-0.5 2,-0.2 -1,-0.2 0.904 112.1 51.0 -71.2 -36.9 -1.8 -17.5 30.0 106 401 A L H < S- 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.883 137.5 -7.0 -68.4 -36.0 -0.3 -21.0 29.6 107 402 A D >< - 0 0 33 -4,-2.3 3,-1.7 -5,-0.2 5,-0.3 -0.517 54.2-174.9-164.1 93.1 -3.2 -22.1 27.4 108 403 A P G > S+ 0 0 7 0, 0.0 3,-1.1 0, 0.0 4,-0.1 0.742 85.4 68.4 -60.6 -23.8 -6.3 -20.0 26.7 109 404 A A G 3 S+ 0 0 64 1,-0.2 -5,-0.1 208,-0.1 208,-0.1 0.679 78.9 77.8 -72.3 -18.0 -7.7 -22.9 24.7 110 405 A Q G < S- 0 0 103 -3,-1.7 -1,-0.2 -7,-0.2 3,-0.2 0.749 88.8-142.8 -60.5 -21.7 -8.2 -25.1 27.8 111 406 A G < - 0 0 52 -3,-1.1 2,-0.4 -4,-0.3 -2,-0.1 0.895 22.5-164.9 57.2 40.7 -11.3 -23.1 28.8 112 407 A V + 0 0 15 -5,-0.3 -1,-0.2 1,-0.2 -8,-0.1 -0.424 25.8 156.8 -64.1 110.4 -10.3 -23.4 32.5 113 408 A D + 0 0 115 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.2 0.455 58.9 27.5-116.4 -10.0 -13.4 -22.4 34.5 114 409 A D S >> S- 0 0 11 1,-0.1 4,-1.4 -14,-0.0 3,-0.5 -0.945 84.7 -99.5-147.3 170.4 -12.8 -24.2 37.9 115 410 A V H 3> S+ 0 0 4 -2,-0.3 4,-2.9 1,-0.2 3,-0.3 0.900 117.9 58.1 -58.4 -40.9 -9.9 -25.3 40.1 116 411 A A H 3> S+ 0 0 11 12,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.852 104.4 50.1 -60.2 -38.0 -10.3 -28.9 38.9 117 412 A A H <> S+ 0 0 29 -3,-0.5 4,-0.6 2,-0.2 -1,-0.2 0.814 112.2 47.4 -71.6 -31.5 -9.7 -28.0 35.2 118 413 A A H >< S+ 0 0 0 -4,-1.4 3,-0.8 -3,-0.3 4,-0.3 0.904 110.0 54.5 -72.2 -41.3 -6.6 -26.0 36.1 119 414 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-2.2 0.889 99.1 60.9 -60.5 -39.5 -5.4 -28.9 38.2 120 415 A K H ><5S+ 0 0 138 -4,-1.9 3,-1.8 1,-0.3 -1,-0.2 0.771 89.6 71.7 -55.3 -30.7 -5.7 -31.4 35.3 121 416 A M T <<5S+ 0 0 40 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.758 106.9 35.7 -59.2 -23.3 -3.2 -29.4 33.4 122 417 A K T < 5S- 0 0 42 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.001 120.8-102.8-120.9 25.1 -0.6 -30.7 35.8 123 418 A Q T < 5S+ 0 0 163 -3,-1.8 2,-0.7 1,-0.2 -3,-0.2 0.666 75.3 144.2 68.1 13.4 -2.0 -34.2 36.3 124 419 A Y < + 0 0 52 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 -0.794 12.6 159.3 -89.5 117.2 -3.4 -33.2 39.7 125 420 A E + 0 0 132 -2,-0.7 2,-1.3 -3,-0.1 -1,-0.1 0.341 35.5 107.6-123.4 7.8 -6.8 -34.9 40.2 126 421 A A S S+ 0 0 47 -7,-0.1 2,-0.3 28,-0.1 32,-0.1 -0.218 72.6 71.8 -80.7 49.6 -7.5 -35.0 44.0 127 422 A V S S- 0 0 14 -2,-1.3 24,-0.1 -11,-0.1 -8,-0.0 -0.954 77.5-124.5-160.7 138.0 -10.2 -32.3 43.6 128 423 A R - 0 0 130 -2,-0.3 -12,-0.4 23,-0.1 2,-0.1 -0.561 29.4-103.2 -87.1 150.9 -13.7 -32.4 42.1 129 424 A P > - 0 0 64 0, 0.0 4,-1.3 0, 0.0 3,-0.5 -0.480 31.7-122.3 -61.1 140.4 -15.2 -30.2 39.3 130 425 A D H > S+ 0 0 28 1,-0.2 4,-3.6 2,-0.2 3,-0.4 0.883 112.5 58.0 -50.8 -44.1 -17.5 -27.6 40.8 131 426 A E H > S+ 0 0 117 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.839 102.0 53.9 -58.9 -35.6 -20.3 -28.9 38.6 132 427 A A H 4 S+ 0 0 54 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.860 118.3 35.8 -66.1 -34.8 -20.0 -32.3 40.1 133 428 A V H < S+ 0 0 16 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.895 129.8 29.4 -84.3 -45.0 -20.3 -30.8 43.7 134 429 A Y H < S- 0 0 7 -4,-3.6 7,-2.8 1,-0.2 -3,-0.2 0.716 98.2-132.7 -91.5 -21.1 -22.9 -28.0 43.0 135 430 A G < - 0 0 25 -4,-1.9 -1,-0.2 -5,-0.4 5,-0.2 -0.377 14.6-117.3 84.2-176.4 -24.9 -29.4 40.1 136 431 A K S S+ 0 0 157 -2,-0.1 4,-0.3 -4,-0.1 -1,-0.1 0.730 74.0 41.2-124.3 -54.6 -25.8 -27.3 37.0 137 432 A G S > S- 0 0 48 2,-0.1 3,-1.0 1,-0.1 0, 0.0 0.736 122.5 -40.1 -78.1-126.2 -29.3 -26.4 36.0 138 433 A A T 3 S+ 0 0 117 1,-0.2 -1,-0.1 3,-0.0 -3,-0.0 0.661 137.6 71.1 -67.9 -17.4 -32.2 -25.3 38.2 139 434 A K T 3 + 0 0 186 2,-0.0 2,-0.6 0, 0.0 -1,-0.2 0.284 64.7 121.6 -84.5 7.8 -30.5 -28.1 40.3 140 435 A R < + 0 0 88 -3,-1.0 2,-0.3 -4,-0.3 -5,-0.2 -0.661 39.6 155.0 -75.1 119.4 -27.4 -26.0 41.1 141 436 A A - 0 0 61 -7,-2.8 -2,-0.0 -2,-0.6 -3,-0.0 -0.973 50.1-106.8-148.1 151.3 -27.4 -25.9 45.0 142 437 A V - 0 0 71 -2,-0.3 3,-0.1 1,-0.1 -8,-0.1 -0.734 44.9-134.3 -78.5 126.7 -24.9 -25.5 47.8 143 438 A P - 0 0 31 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.124 33.4 -69.1 -77.6-178.1 -24.4 -28.9 49.5 144 439 A D >> - 0 0 131 1,-0.1 4,-2.6 4,-0.1 3,-0.5 -0.233 56.7 -97.1 -69.8 156.7 -24.4 -29.7 53.2 145 440 A E H 3> S+ 0 0 72 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.792 119.6 50.9 -50.4 -40.6 -21.5 -28.5 55.3 146 441 A P H 3> S+ 0 0 92 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.946 115.0 43.2 -65.6 -40.7 -19.4 -31.7 55.2 147 442 A V H <> S+ 0 0 74 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.965 118.8 46.1 -63.1 -45.4 -19.6 -32.0 51.5 148 443 A L H X S+ 0 0 8 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.922 111.3 49.8 -64.1 -48.4 -19.0 -28.3 51.0 149 444 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.890 110.5 48.9 -64.0 -44.1 -16.1 -28.0 53.5 150 445 A E H X S+ 0 0 53 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.2 0.886 111.0 52.2 -58.7 -41.1 -14.1 -30.9 52.0 151 446 A H H X S+ 0 0 4 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.924 111.3 45.5 -64.5 -42.7 -14.6 -29.4 48.5 152 447 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.904 113.4 49.5 -69.1 -40.7 -13.3 -26.0 49.5 153 448 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.911 109.9 51.3 -63.9 -40.4 -10.3 -27.5 51.4 154 449 A R H X S+ 0 0 35 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.948 110.8 50.0 -62.6 -44.6 -9.5 -29.7 48.3 155 450 A K H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.945 112.4 45.1 -57.7 -53.5 -9.6 -26.6 46.1 156 451 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.887 112.0 53.5 -56.1 -37.7 -7.3 -24.7 48.5 157 452 A A H X S+ 0 0 7 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.925 109.3 48.9 -66.7 -38.6 -5.0 -27.7 48.7 158 453 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.956 110.0 50.5 -63.1 -48.6 -4.8 -27.9 44.9 159 454 A I H X S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.891 108.6 53.5 -55.0 -44.8 -4.0 -24.2 44.7 160 455 A W H < S+ 0 0 74 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.897 116.4 37.8 -56.9 -43.0 -1.2 -24.6 47.3 161 456 A E H < S+ 0 0 108 -4,-1.9 3,-0.4 -3,-0.2 -2,-0.2 0.835 114.0 53.8 -80.1 -33.6 0.5 -27.4 45.3 162 457 A L H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.664 86.2 79.3 -80.7 -17.0 -0.1 -26.1 41.8 163 458 A E H X S+ 0 0 20 -4,-1.4 4,-2.4 -5,-0.2 5,-0.2 0.929 92.2 52.4 -57.4 -46.7 1.5 -22.7 42.3 164 459 A R H > S+ 0 0 138 -4,-0.4 4,-2.2 -3,-0.4 -1,-0.2 0.975 112.9 40.8 -52.5 -62.5 5.0 -24.0 41.9 165 460 A P H > S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.867 113.9 53.3 -62.8 -32.4 4.5 -25.9 38.6 166 461 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.944 111.9 45.7 -63.5 -43.7 2.4 -23.1 37.0 167 462 A L H X S+ 0 0 36 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.851 109.3 55.9 -66.5 -36.3 5.1 -20.5 37.8 168 463 A D H X S+ 0 0 61 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.953 112.6 41.6 -60.4 -49.4 7.8 -22.8 36.5 169 464 A E H X S+ 0 0 42 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.930 112.3 52.4 -67.9 -44.6 6.0 -23.1 33.2 170 465 A L H <>S+ 0 0 0 -4,-2.8 5,-3.3 1,-0.2 6,-0.7 0.923 110.6 51.7 -54.2 -39.8 5.1 -19.4 32.9 171 466 A R H ><5S+ 0 0 169 -4,-2.2 3,-1.9 4,-0.2 -2,-0.2 0.953 107.9 48.4 -63.5 -47.8 8.8 -18.7 33.6 172 467 A R H 3<5S+ 0 0 165 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.873 112.9 49.9 -59.8 -37.6 10.0 -21.1 30.8 173 468 A N T 3<5S- 0 0 19 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.439 113.9-120.4 -75.4 -4.1 7.4 -19.4 28.5 174 469 A E T < 5S+ 0 0 133 -3,-1.9 -3,-0.2 -4,-0.3 4,-0.2 0.830 83.6 117.1 60.0 36.2 8.7 -15.9 29.5 175 470 A Q >< + 0 0 0 -5,-3.3 4,-2.1 -6,-0.2 -4,-0.2 0.307 33.8 101.7-110.9 7.5 5.2 -15.1 30.8 176 471 A D H > S+ 0 0 42 -6,-0.7 4,-2.4 1,-0.2 5,-0.2 0.909 88.4 42.8 -63.9 -42.6 6.0 -14.6 34.5 177 472 A R H >>S+ 0 0 157 2,-0.2 4,-2.7 1,-0.2 5,-0.7 0.843 106.9 61.6 -67.1 -34.4 5.9 -10.9 34.2 178 473 A L H >>S+ 0 0 7 1,-0.2 5,-2.9 3,-0.2 4,-0.6 0.915 113.5 37.0 -60.0 -38.3 2.8 -11.1 32.0 179 474 A L H <>S+ 0 0 0 -4,-2.1 5,-2.5 3,-0.2 -2,-0.2 0.955 124.4 37.6 -73.7 -51.9 1.1 -12.7 35.0 180 475 A V H <5S+ 0 0 77 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.813 128.5 28.5 -75.9 -33.9 2.7 -10.7 37.9 181 476 A E H <5S+ 0 0 110 -4,-2.7 -1,-0.2 -5,-0.2 -3,-0.2 0.537 133.0 22.4-109.3 -9.7 2.9 -7.2 36.4 182 477 A L T X S+ 0 0 45 0, 0.0 4,-1.4 0, 0.0 3,-0.4 0.925 113.4 54.1 -62.0 -38.0 -2.7 -6.0 38.8 186 481 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.871 99.1 62.6 -60.0 -36.4 -5.3 -5.7 36.0 187 482 A S H X S+ 0 0 3 -4,-1.9 4,-1.9 -3,-0.2 -1,-0.2 0.918 102.7 49.3 -53.8 -45.3 -7.6 -8.0 37.9 188 483 A S H X S+ 0 0 71 -4,-1.4 4,-1.6 -3,-0.4 -1,-0.2 0.877 110.1 51.2 -61.8 -38.9 -7.8 -5.6 40.8 189 484 A I H X S+ 0 0 7 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.904 109.3 49.7 -66.1 -40.3 -8.6 -2.7 38.5 190 485 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.873 106.7 56.2 -65.5 -37.1 -11.5 -4.6 36.8 191 486 A A H X S+ 0 0 1 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.923 108.7 46.3 -61.9 -45.7 -12.8 -5.5 40.2 192 487 A E H X S+ 0 0 87 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.926 113.1 50.4 -58.2 -48.1 -13.0 -1.7 41.1 193 488 A M H X S+ 0 0 6 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.890 113.9 44.8 -58.1 -44.0 -14.6 -1.0 37.7 194 489 A E H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.931 114.6 47.3 -67.1 -46.9 -17.2 -3.7 38.2 195 490 A F H < S+ 0 0 75 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.908 112.1 50.4 -63.2 -37.9 -18.0 -2.8 41.8 196 491 A A H < S- 0 0 20 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 92.2-178.8 -66.9 -39.6 -18.3 0.9 40.9 197 492 A G < - 0 0 5 -4,-1.8 2,-0.4 -5,-0.2 111,-0.2 0.034 30.1 -79.2 64.2-175.2 -20.7 0.2 38.0 198 493 A V E -F 307 0B 6 109,-2.2 109,-2.3 -4,-0.1 2,-0.2 -0.986 38.8-122.0-128.4 128.9 -22.3 2.7 35.6 199 494 A K E -FG 306 346B 57 147,-0.6 147,-2.3 -2,-0.4 2,-0.4 -0.445 26.4-153.9 -70.0 140.1 -25.3 4.8 36.5 200 495 A V E - G 0 345B 2 105,-3.3 2,-1.2 145,-0.2 145,-0.2 -0.929 15.9-139.3-119.3 135.9 -28.3 4.4 34.3 201 496 A D > - 0 0 62 143,-2.9 4,-1.6 -2,-0.4 3,-0.3 -0.749 23.2-176.7 -88.7 93.4 -31.0 6.9 33.6 202 497 A T H > S+ 0 0 20 -2,-1.2 4,-2.7 1,-0.2 -1,-0.2 0.738 77.1 58.5 -67.6 -24.8 -34.0 4.5 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128.0 -18.2 10.9 31.2 355 650 A F E -KL 539 573E 0 184,-2.1 184,-3.3 -2,-0.5 2,-0.4 -0.972 4.2-173.1-119.9 130.2 -14.8 11.0 29.5 356 651 A A E -KL 538 572E 2 216,-3.0 216,-2.2 -2,-0.4 2,-0.4 -0.994 4.8-178.4-130.4 128.2 -14.0 8.5 26.6 357 652 A A E -KL 537 571E 0 180,-2.6 180,-2.6 -2,-0.4 2,-0.3 -0.997 7.7-175.4-127.1 132.4 -10.6 8.1 25.0 358 653 A D E -KL 536 570E 40 212,-2.6 212,-2.5 -2,-0.4 2,-0.3 -0.967 27.4-117.2-131.6 143.2 -10.0 5.7 22.1 359 654 A Y E - L 0 569E 4 176,-2.8 2,-0.6 -2,-0.3 3,-0.3 -0.596 31.6-128.1 -70.6 137.8 -6.9 4.5 20.1 360 655 A S S S- 0 0 26 208,-3.0 208,-0.4 -2,-0.3 5,-0.1 -0.815 80.6 -24.6 -89.3 117.0 -7.1 5.4 16.5 361 656 A Q S > S+ 0 0 72 -2,-0.6 4,-2.0 1,-0.1 -1,-0.2 0.875 78.1 168.2 47.8 49.3 -6.5 2.3 14.3 362 657 A I H > S+ 0 0 9 -3,-0.3 4,-3.3 2,-0.2 5,-0.2 0.923 71.5 52.7 -56.2 -46.0 -4.5 0.4 17.0 363 658 A E H > S+ 0 0 49 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.928 111.5 43.5 -60.1 -50.2 -4.6 -2.9 15.0 364 659 A L H > S+ 0 0 6 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.843 113.5 53.6 -59.2 -35.6 -3.3 -1.5 11.8 365 660 A R H X S+ 0 0 5 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.920 109.8 46.4 -65.4 -45.9 -0.7 0.4 13.8 366 661 A V H X S+ 0 0 0 -4,-3.3 4,-3.2 2,-0.2 5,-0.2 0.898 110.5 53.7 -60.7 -45.7 0.4 -2.8 15.5 367 662 A L H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 5,-0.3 0.941 108.6 49.7 -51.2 -49.2 0.5 -4.5 12.1 368 663 A A H X>S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 5,-0.7 0.907 113.5 47.2 -59.5 -45.3 2.8 -1.7 10.8 369 664 A H H <5S+ 0 0 24 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.941 117.8 39.2 -58.8 -49.4 5.0 -2.2 13.8 370 665 A I H <5S+ 0 0 47 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.897 121.1 42.2 -75.8 -40.2 5.2 -6.0 13.6 371 666 A A H <5S- 0 0 7 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.663 93.2-145.1 -71.4 -23.6 5.5 -6.3 9.8 372 667 A E T <5 + 0 0 93 -4,-1.2 2,-0.6 -5,-0.3 -3,-0.2 0.880 29.9 176.3 49.2 46.7 7.9 -3.4 9.6 373 668 A D >< - 0 0 2 -5,-0.7 4,-3.2 -6,-0.2 5,-0.3 -0.719 25.6-149.8 -81.8 121.5 6.4 -2.4 6.3 374 669 A D H > S+ 0 0 124 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.920 94.2 46.6 -56.0 -50.9 8.0 0.9 5.2 375 670 A N H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 116.2 43.7 -62.0 -45.2 4.9 2.2 3.3 376 671 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.929 115.0 48.9 -68.8 -42.6 2.5 1.4 6.1 377 672 A M H X S+ 0 0 11 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.895 111.5 50.8 -61.7 -42.1 4.8 2.8 8.8 378 673 A E H X S+ 0 0 79 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.906 106.3 55.2 -58.8 -44.6 5.3 6.0 6.6 379 674 A A H <>S+ 0 0 2 -4,-2.2 5,-2.7 1,-0.2 -2,-0.2 0.931 112.6 41.7 -56.6 -47.0 1.5 6.3 6.3 380 675 A F H ><5S+ 0 0 5 -4,-2.0 3,-1.8 3,-0.2 -1,-0.2 0.887 109.4 57.4 -66.5 -40.8 1.1 6.3 10.1 381 676 A R H 3<5S+ 0 0 129 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.843 111.6 45.2 -58.6 -29.7 4.2 8.6 10.7 382 677 A R T 3<5S- 0 0 148 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.384 109.1-130.1 -87.8 -0.2 2.3 11.1 8.4 383 678 A D T < 5 + 0 0 94 -3,-1.8 -3,-0.2 -5,-0.1 -2,-0.1 0.876 45.8 175.3 47.8 44.6 -0.9 10.5 10.3 384 679 A L < - 0 0 59 -5,-2.7 2,-0.6 -6,-0.2 -1,-0.1 -0.373 47.5 -94.3 -74.3 158.0 -2.7 9.9 6.9 385 680 A D > - 0 0 81 1,-0.2 4,-2.4 -2,-0.1 5,-0.1 -0.654 44.5-153.7 -64.1 113.9 -6.2 8.9 6.4 386 681 A I H > S+ 0 0 5 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.820 86.7 49.0 -76.6 -29.4 -5.3 5.2 6.1 387 682 A H H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 111.8 48.9 -75.8 -40.5 -8.3 4.1 4.0 388 683 A T H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.943 112.9 49.3 -59.2 -47.9 -7.8 7.0 1.5 389 684 A K H X S+ 0 0 24 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.913 109.5 50.1 -59.5 -46.7 -4.1 6.0 1.3 390 685 A T H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.3 0.897 111.5 49.9 -59.6 -39.2 -4.9 2.3 0.8 391 686 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.959 109.7 51.6 -63.8 -46.7 -7.3 3.3 -2.0 392 687 A M H X>S+ 0 0 45 -4,-3.0 5,-1.5 1,-0.2 4,-0.6 0.930 115.7 40.4 -54.3 -46.1 -4.6 5.5 -3.6 393 688 A D H ><5S+ 0 0 30 -4,-2.4 3,-0.6 2,-0.2 -2,-0.2 0.939 117.1 45.7 -75.8 -47.8 -2.1 2.7 -3.6 394 689 A I H 3<5S+ 0 0 2 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.864 126.2 31.5 -70.4 -27.7 -4.3 -0.2 -4.6 395 690 A F H 3<5S- 0 0 53 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.406 101.5-133.4-100.0 3.7 -5.9 1.9 -7.4 396 691 A Q T <<5 + 0 0 139 -3,-0.6 2,-0.3 -4,-0.6 -3,-0.2 0.929 59.2 133.7 39.9 59.7 -2.8 3.9 -8.1 397 692 A V < - 0 0 39 -5,-1.5 -1,-0.2 -6,-0.2 2,-0.1 -0.833 58.7-102.0-124.8 168.0 -4.7 7.2 -8.2 398 693 A S > - 0 0 58 -2,-0.3 3,-1.5 -3,-0.1 4,-0.1 -0.435 43.4 -94.1 -85.9 169.8 -4.0 10.5 -6.6 399 694 A E G > S+ 0 0 138 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.862 122.2 45.1 -54.2 -49.5 -5.7 11.7 -3.5 400 695 A D G 3 S+ 0 0 150 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.504 104.2 66.5 -85.1 3.6 -8.5 13.7 -5.0 401 696 A E G < S+ 0 0 113 -3,-1.5 2,-0.8 2,-0.1 -1,-0.3 0.314 73.9 108.5 -89.1 1.0 -9.2 10.9 -7.5 402 697 A V < - 0 0 24 -3,-1.6 -10,-0.0 -4,-0.1 -14,-0.0 -0.757 60.3-154.0 -81.9 116.5 -10.3 8.6 -4.7 403 698 A T > - 0 0 74 -2,-0.8 4,-2.2 1,-0.1 5,-0.2 -0.406 28.3-108.4 -79.6 160.9 -14.1 8.2 -5.0 404 699 A P H > S+ 0 0 106 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.931 120.9 52.1 -57.8 -37.1 -16.2 7.3 -2.0 405 700 A N H > S+ 0 0 84 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.858 108.2 50.4 -65.0 -37.2 -16.7 3.8 -3.4 406 701 A M H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 110.8 49.7 -62.9 -38.9 -13.0 3.3 -3.8 407 702 A R H X S+ 0 0 80 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.926 107.6 54.5 -68.8 -39.4 -12.5 4.4 -0.2 408 703 A R H X S+ 0 0 145 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.860 110.3 46.7 -57.9 -40.2 -15.2 2.0 1.0 409 704 A Q H X S+ 0 0 27 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.914 110.2 49.7 -73.3 -40.4 -13.4 -0.9 -0.7 410 705 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.847 110.3 55.2 -62.0 -33.5 -9.9 -0.0 0.6 411 706 A K H X S+ 0 0 107 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.954 105.3 49.3 -66.1 -49.7 -11.6 0.2 4.0 412 707 A A H X S+ 0 0 21 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.812 111.8 50.9 -56.0 -31.0 -13.0 -3.3 3.8 413 708 A V H X S+ 0 0 0 -4,-1.6 4,-3.0 2,-0.2 -2,-0.2 0.927 110.1 48.7 -72.2 -42.2 -9.5 -4.4 2.8 414 709 A N H < S+ 0 0 4 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.770 110.6 51.6 -67.2 -27.3 -7.9 -2.7 5.8 415 710 A F H < S+ 0 0 139 -4,-1.8 -1,-0.2 -5,-0.2 3,-0.2 0.897 117.3 38.1 -75.2 -40.6 -10.5 -4.2 8.1 416 711 A G H ><>S+ 0 0 0 -4,-1.6 5,-2.3 1,-0.2 3,-2.3 0.775 99.7 70.8 -84.5 -28.1 -9.8 -7.8 6.8 417 712 A I G ><5S+ 0 0 10 -4,-3.0 3,-1.9 1,-0.3 -1,-0.2 0.855 86.7 69.7 -63.9 -23.3 -6.0 -7.7 6.3 418 713 A V G 3 5S+ 0 0 10 -4,-0.5 -1,-0.3 1,-0.3 84,-0.3 0.616 112.3 30.7 -73.3 -7.8 -5.6 -7.7 10.1 419 714 A Y G < 5S- 0 0 66 -3,-2.3 -1,-0.3 82,-0.1 79,-0.3 0.123 116.9-107.3-125.5 24.9 -6.9 -11.2 10.1 420 715 A G T < 5 - 0 0 8 -3,-1.9 -3,-0.2 77,-0.2 -2,-0.1 0.906 43.0-154.8 57.0 43.2 -5.6 -12.3 6.7 421 716 A I < - 0 0 16 -5,-2.3 -1,-0.1 -8,-0.2 2,-0.1 -0.122 14.0-123.5 -45.4 138.7 -9.1 -12.3 5.1 422 717 A S > - 0 0 39 1,-0.1 4,-2.5 -3,-0.1 5,-0.3 -0.437 23.1-103.1 -84.0 167.1 -9.2 -14.7 2.1 423 718 A D H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 126.5 49.0 -52.4 -43.5 -10.2 -13.7 -1.4 424 719 A Y H > S+ 0 0 148 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 108.9 52.7 -60.8 -42.6 -13.6 -15.4 -0.7 425 720 A G H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 113.9 42.3 -56.7 -44.3 -14.0 -13.5 2.6 426 721 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.889 110.0 55.5 -76.0 -41.0 -13.4 -10.2 1.0 427 722 A A H X>S+ 0 0 10 -4,-2.6 5,-1.6 -5,-0.3 4,-1.2 0.934 109.8 50.2 -53.6 -49.3 -15.6 -10.9 -2.1 428 723 A Q H ><5S+ 0 0 99 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.934 112.6 43.1 -52.9 -53.5 -18.3 -11.6 0.4 429 724 A N H 3<5S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 122.9 39.3 -66.0 -33.4 -17.9 -8.4 2.3 430 725 A L H 3<5S- 0 0 24 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.461 102.8-125.5 -94.0 -3.8 -17.5 -6.3 -0.8 431 726 A N T <<5S+ 0 0 100 -4,-1.2 2,-0.2 -3,-0.5 -3,-0.2 0.932 70.1 119.2 51.0 49.8 -20.1 -8.1 -3.0 432 727 A I S - 0 0 55 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.477 37.4-117.1 -77.1 155.8 -16.2 -11.9 -7.4 434 729 A R H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.862 116.9 55.3 -60.1 -33.3 -13.4 -13.9 -5.7 435 730 A K H > S+ 0 0 157 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.896 108.4 47.0 -70.4 -37.7 -11.1 -13.1 -8.6 436 731 A E H > S+ 0 0 102 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.899 112.5 50.6 -64.1 -42.6 -11.7 -9.4 -8.3 437 732 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.884 107.2 54.2 -60.1 -40.3 -11.1 -9.7 -4.5 438 733 A A H X S+ 0 0 28 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.881 106.7 52.2 -62.3 -39.3 -7.9 -11.6 -5.3 439 734 A E H X S+ 0 0 87 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.881 107.3 50.5 -60.7 -45.0 -6.7 -8.7 -7.4 440 735 A F H X S+ 0 0 35 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.940 113.1 47.5 -59.1 -46.8 -7.3 -6.1 -4.7 441 736 A I H X S+ 0 0 25 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.898 110.4 50.9 -63.9 -42.6 -5.3 -8.3 -2.3 442 737 A E H X S+ 0 0 94 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.909 112.0 48.2 -60.8 -42.6 -2.6 -8.7 -4.9 443 738 A R H X S+ 0 0 84 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.911 108.4 54.6 -63.4 -42.8 -2.5 -4.9 -5.3 444 739 A Y H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-0.2 0.936 108.0 49.1 -53.5 -47.5 -2.4 -4.5 -1.5 445 740 A F H < S+ 0 0 36 -4,-2.3 -1,-0.2 1,-0.2 7,-0.2 0.810 106.8 55.4 -69.0 -29.1 0.7 -6.7 -1.3 446 741 A E H < S+ 0 0 117 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.1 40.2 -68.4 -33.5 2.5 -4.8 -4.1 447 742 A S H < S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.776 128.8 30.1 -82.3 -28.4 1.9 -1.6 -2.0 448 743 A F >X + 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 3,-1.1 -0.559 65.8 162.6-128.5 66.9 2.7 -3.2 1.4 449 744 A P H 3> S+ 0 0 65 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.763 73.4 63.2 -63.0 -25.1 5.2 -6.0 0.7 450 745 A G H 3> S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.822 99.9 54.4 -62.4 -35.0 6.2 -6.1 4.4 451 746 A V H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.949 108.3 48.4 -65.4 -45.3 2.6 -7.1 5.3 452 747 A K H X S+ 0 0 93 -4,-1.3 4,-2.0 -7,-0.2 -2,-0.2 0.906 110.8 50.2 -57.0 -47.6 2.9 -10.0 2.8 453 748 A R H X S+ 0 0 126 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.944 110.8 51.0 -55.4 -50.2 6.3 -11.0 4.3 454 749 A Y H X S+ 0 0 18 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.892 108.4 51.0 -49.0 -49.1 4.7 -10.9 7.8 455 750 A M H X S+ 0 0 24 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.890 114.5 42.6 -67.0 -37.2 1.8 -13.1 6.8 456 751 A E H X S+ 0 0 101 -4,-2.0 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