==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 08-DEC-10 2Y1J . COMPND 2 MOLECULE: DNA POLYMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR K.HEIL,S.SCHNEIDER,M.MUELLER,A.C.KNEUTTINGER,T.CARELL . 580 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.2 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 . 27 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 8.6 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 . 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 2 3 3 1 3 0 0 0 3 1 0 2 0 0 0 0 0 0 0 0 1 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 0 3 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 1 297 A A 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.9 -11.1 41.1 -50.6 2 298 A K - 0 0 87 1,-0.1 2,-0.4 0, 0.0 147,-0.0 0.115 360.0-130.6 -43.2 142.4 -11.7 38.0 -52.8 3 299 A M - 0 0 30 1,-0.0 2,-0.2 146,-0.0 -1,-0.1 -0.839 31.3-107.2 -97.7 139.5 -8.8 35.4 -53.0 4 300 A A + 0 0 73 -2,-0.4 2,-0.3 148,-0.0 43,-0.1 -0.462 54.7 143.6 -77.2 132.5 -7.8 34.4 -56.4 5 301 A F - 0 0 57 -2,-0.2 2,-0.7 41,-0.1 43,-0.2 -0.979 48.4-109.0-159.7 157.1 -8.9 30.9 -57.7 6 302 A T E -a 48 0A 77 41,-2.6 43,-2.5 -2,-0.3 2,-1.5 -0.799 18.6-151.9 -90.3 117.4 -10.0 29.0 -60.7 7 303 A L E -a 49 0A 61 -2,-0.7 2,-0.1 41,-0.2 43,-0.1 -0.744 32.1-154.4 -84.9 91.5 -13.6 27.9 -60.5 8 304 A A E -a 50 0A 7 41,-1.7 43,-0.5 -2,-1.5 3,-0.1 -0.449 30.2-171.0 -79.1 143.7 -12.9 24.8 -62.7 9 305 A D S S+ 0 0 111 1,-0.2 2,-0.3 -2,-0.1 -1,-0.1 0.562 80.3 29.7 -98.4 -25.7 -15.5 23.0 -64.9 10 306 A R S S- 0 0 211 44,-0.0 2,-0.3 48,-0.0 -1,-0.2 -0.968 87.2-107.6-132.2 155.1 -13.2 20.1 -65.7 11 307 A V - 0 0 20 -2,-0.3 2,-0.3 43,-0.1 49,-0.1 -0.665 39.2-169.5 -77.1 134.8 -10.4 18.4 -63.8 12 308 A T > - 0 0 64 -2,-0.3 3,-1.3 48,-0.0 4,-0.1 -0.834 34.7-106.6-122.0 164.7 -6.9 19.1 -65.3 13 309 A E G > S+ 0 0 142 -2,-0.3 3,-1.9 1,-0.2 -2,-0.0 0.782 114.0 63.9 -59.2 -31.5 -3.5 17.6 -64.7 14 310 A E G > S+ 0 0 92 1,-0.3 3,-0.6 2,-0.1 31,-0.3 0.762 95.6 61.4 -73.5 -16.5 -2.2 20.6 -62.8 15 311 A M G < S+ 0 0 3 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.500 96.0 64.7 -74.2 -5.5 -4.8 19.9 -60.1 16 312 A L G < + 0 0 13 -3,-1.9 -1,-0.2 -4,-0.1 -2,-0.1 -0.170 68.3 149.5-122.8 36.4 -3.1 16.5 -59.6 17 313 A A < - 0 0 10 -3,-0.6 3,-0.0 2,-0.1 -3,-0.0 -0.162 58.9-113.2 -57.7 159.1 0.2 17.5 -58.2 18 314 A D S S+ 0 0 91 1,-0.2 53,-2.0 52,-0.1 2,-0.3 0.314 103.1 44.5 -90.8 17.4 1.9 15.1 -55.8 19 315 A K E S+b 71 0A 66 51,-0.2 25,-0.5 2,-0.1 2,-0.3 -0.894 74.8 142.5-152.1 124.4 1.6 17.6 -52.9 20 316 A A E -b 72 0A 0 51,-2.0 53,-2.2 -2,-0.3 2,-0.5 -0.993 48.7-119.7-156.1 156.2 -1.6 19.5 -52.2 21 317 A A E -bC 73 42A 0 21,-3.0 21,-2.4 -2,-0.3 2,-0.4 -0.868 40.9-166.3 -92.1 137.4 -4.0 20.9 -49.6 22 318 A L E - C 0 41A 1 51,-2.7 2,-0.5 -2,-0.5 53,-0.3 -0.984 17.5-168.3-134.2 135.0 -7.3 19.3 -50.2 23 319 A V E + C 0 40A 9 17,-2.8 17,-2.2 -2,-0.4 2,-0.5 -0.993 6.2 178.3-123.5 123.8 -10.8 20.2 -48.9 24 320 A V E - C 0 39A 8 -2,-0.5 2,-0.5 15,-0.2 15,-0.2 -0.906 28.1-147.0-121.1 97.1 -13.6 17.7 -49.4 25 321 A E E + C 0 38A 18 13,-2.1 12,-2.5 -2,-0.5 13,-0.7 -0.537 26.1 173.9 -86.8 119.7 -16.4 19.5 -47.6 26 322 A V - 0 0 5 -2,-0.5 10,-0.1 10,-0.2 5,-0.1 -0.970 4.9-177.7-120.7 112.3 -19.1 17.6 -45.8 27 323 A V + 0 0 14 -2,-0.5 -1,-0.1 8,-0.4 9,-0.1 0.815 52.8 94.7 -89.8 -33.2 -21.4 20.1 -44.1 28 324 A E S S- 0 0 113 7,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.358 76.1-133.8 -56.5 136.0 -23.8 17.6 -42.3 29 325 A E S S+ 0 0 139 1,-0.2 2,-0.8 2,-0.1 -1,-0.1 0.939 100.0 56.6 -61.7 -47.9 -22.5 17.0 -38.8 30 326 A N S S- 0 0 29 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.765 75.2-169.5 -81.7 107.5 -23.1 13.3 -39.2 31 327 A Y > + 0 0 3 -2,-0.8 3,-1.3 2,-0.1 2,-0.4 0.429 42.4 120.7 -85.9 3.2 -21.0 12.5 -42.2 32 328 A H T 3 S- 0 0 5 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.547 97.2 -14.1 -71.5 119.8 -22.2 8.9 -42.8 33 329 A D T 3 S+ 0 0 92 -2,-0.4 -1,-0.3 49,-0.3 50,-0.1 0.801 106.4 146.2 59.2 31.5 -23.8 8.7 -46.4 34 330 A A < - 0 0 9 -3,-1.3 -1,-0.2 1,-0.1 52,-0.1 -0.593 52.4 -91.6 -99.3 159.1 -23.8 12.5 -46.4 35 331 A P - 0 0 73 0, 0.0 2,-0.6 0, 0.0 -8,-0.4 -0.351 21.6-139.5 -68.0 144.8 -23.4 14.9 -49.3 36 332 A I - 0 0 10 -10,-0.1 -10,-0.2 1,-0.1 3,-0.1 -0.952 19.5-170.4 -94.4 119.0 -20.0 16.3 -50.4 37 333 A V - 0 0 35 -12,-2.5 2,-0.3 -2,-0.6 -11,-0.1 0.639 57.2 -17.1 -94.2 -15.5 -20.9 19.9 -51.2 38 334 A G E -C 25 0A 0 -13,-0.7 -13,-2.1 13,-0.1 2,-0.4 -0.957 52.2-137.2-178.0 164.5 -17.6 21.1 -52.8 39 335 A I E -CD 24 50A 0 11,-1.9 11,-2.5 -2,-0.3 2,-0.4 -0.983 14.0-173.6-135.1 143.7 -14.0 20.4 -53.3 40 336 A A E -CD 23 49A 1 -17,-2.2 -17,-2.8 -2,-0.4 2,-0.4 -0.996 1.9-170.0-140.4 144.0 -11.0 22.7 -53.3 41 337 A V E -CD 22 48A 0 7,-2.4 7,-2.8 -2,-0.4 2,-0.4 -0.994 2.4-174.0-131.8 135.7 -7.4 22.0 -54.1 42 338 A V E +CD 21 47A 5 -21,-2.4 -21,-3.0 -2,-0.4 2,-0.3 -1.000 23.7 141.5-129.0 132.2 -4.4 24.3 -53.5 43 339 A N E > - D 0 46A 6 3,-2.6 3,-1.7 -2,-0.4 -23,-0.1 -0.841 66.9 -67.2-150.9-172.3 -1.0 23.3 -54.8 44 340 A E T 3 S+ 0 0 132 -25,-0.5 3,-0.1 1,-0.3 -24,-0.1 0.711 128.7 52.7 -56.0 -26.9 2.2 24.8 -56.4 45 341 A H T 3 S- 0 0 94 -31,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.530 119.9 -86.9 -90.3 -10.6 0.2 25.6 -59.6 46 342 A G E < - D 0 43A 26 -3,-1.7 -3,-2.6 -32,-0.1 2,-0.4 -0.945 50.4 -49.5 145.3-161.1 -2.6 27.5 -57.9 47 343 A R E - D 0 42A 88 -2,-0.3 -41,-2.6 -5,-0.2 2,-0.3 -0.970 47.6-177.0-122.1 135.7 -5.9 27.3 -56.2 48 344 A F E -aD 6 41A 4 -7,-2.8 -7,-2.4 -2,-0.4 2,-0.4 -0.982 18.5-158.8-137.6 138.1 -8.9 25.4 -57.6 49 345 A F E -aD 7 40A 3 -43,-2.5 -41,-1.7 -2,-0.3 2,-0.4 -0.988 18.3-172.5-111.5 132.0 -12.6 24.8 -56.7 50 346 A L E -aD 8 39A 1 -11,-2.5 -11,-1.9 -2,-0.4 -41,-0.1 -0.963 25.6-123.0-122.0 139.8 -14.3 21.8 -58.2 51 347 A R > - 0 0 56 -43,-0.5 4,-2.6 -2,-0.4 3,-0.3 -0.598 25.4-130.0 -75.0 138.7 -17.9 20.8 -58.1 52 348 A P H > S+ 0 0 14 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.844 104.3 57.8 -64.2 -34.1 -18.2 17.3 -56.6 53 349 A E H 4 S+ 0 0 131 2,-0.2 4,-0.5 1,-0.1 -15,-0.0 0.906 114.0 40.6 -64.9 -37.4 -20.4 15.8 -59.4 54 350 A S H >> S+ 0 0 40 -3,-0.3 3,-1.1 2,-0.1 4,-0.7 0.989 120.3 40.5 -67.7 -62.7 -17.7 16.7 -61.9 55 351 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.3 7,-0.4 0.871 114.1 50.4 -63.7 -39.9 -14.6 15.7 -59.9 56 352 A L T 3< S+ 0 0 30 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.626 110.9 50.2 -79.2 -10.1 -15.9 12.5 -58.3 57 353 A A T <4 S+ 0 0 80 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.476 90.2 97.6 -93.9 -7.7 -17.0 11.2 -61.7 58 354 A D S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.783 93.5 52.1 -59.3 -33.9 -11.4 8.8 -63.2 60 356 A Q H > S+ 0 0 123 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.870 111.0 47.4 -72.7 -36.8 -8.1 10.7 -63.0 61 357 A F H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.947 112.7 48.8 -65.3 -49.8 -9.3 12.7 -60.0 62 358 A V H X S+ 0 0 44 -4,-2.4 4,-1.9 -7,-0.4 -2,-0.2 0.908 111.9 50.0 -53.3 -44.6 -10.6 9.6 -58.3 63 359 A A H < S+ 0 0 62 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.872 109.7 51.2 -64.4 -38.8 -7.2 7.8 -59.0 64 360 A W H >< S+ 0 0 8 -4,-2.0 3,-1.5 2,-0.2 6,-0.2 0.958 107.4 52.6 -61.9 -47.8 -5.3 10.8 -57.6 65 361 A L H 3< S+ 0 0 1 -4,-2.8 27,-2.7 1,-0.3 -2,-0.2 0.912 113.4 44.9 -49.6 -48.1 -7.4 10.6 -54.4 66 362 A G T 3< S+ 0 0 30 -4,-1.9 2,-0.7 25,-0.2 -1,-0.3 0.400 87.5 105.3 -81.6 0.6 -6.5 7.0 -54.1 67 363 A D X - 0 0 56 -3,-1.5 3,-1.8 -4,-0.4 25,-0.1 -0.747 54.8-160.2 -91.5 114.2 -2.8 7.3 -54.8 68 364 A E T 3 S+ 0 0 111 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.723 90.8 58.3 -62.2 -27.3 -0.7 7.0 -51.7 69 365 A T T 3 S+ 0 0 81 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.488 87.8 83.2 -84.9 -7.5 2.2 8.7 -53.3 70 366 A K S < S- 0 0 54 -3,-1.8 2,-0.3 -6,-0.2 -51,-0.2 -0.892 81.5-146.1 -95.1 105.3 0.1 11.9 -54.0 71 367 A K E -b 19 0A 65 -53,-2.0 -51,-2.0 -2,-0.8 2,-0.4 -0.547 16.0-167.4 -86.9 134.9 0.3 13.6 -50.6 72 368 A K E -be 20 94A 0 21,-2.4 23,-1.7 -2,-0.3 24,-1.3 -0.937 14.4-154.1-121.9 144.2 -2.6 15.6 -49.2 73 369 A S E +be 21 96A 0 -53,-2.2 -51,-2.7 -2,-0.4 2,-0.3 -0.961 33.1 158.3-111.0 126.4 -2.9 18.1 -46.3 74 370 A M E - e 0 97A 3 22,-2.8 24,-2.9 -2,-0.5 2,-0.4 -0.829 42.8-120.1-136.7 172.4 -6.4 18.3 -44.9 75 371 A F S S- 0 0 33 -53,-0.3 5,-0.1 -2,-0.3 39,-0.1 -0.991 97.6 -4.0-113.9 119.4 -8.4 19.3 -41.9 76 372 A D S >> S- 0 0 34 -2,-0.4 4,-1.2 3,-0.1 3,-0.8 0.984 72.1-179.3 64.4 59.2 -10.5 16.4 -40.4 77 373 A S H 3> S+ 0 0 13 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.755 72.5 65.9 -65.0 -22.5 -9.5 13.9 -43.0 78 374 A K H 3> S+ 0 0 9 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.868 98.1 54.2 -70.1 -32.7 -11.7 11.1 -41.4 79 375 A R H <> S+ 0 0 55 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.949 114.7 40.5 -57.3 -50.9 -14.8 13.1 -42.3 80 376 A A H X S+ 0 0 2 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.933 115.0 51.2 -63.0 -54.9 -13.8 13.2 -45.9 81 377 A A H X S+ 0 0 19 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.897 113.0 45.6 -52.6 -47.5 -12.5 9.7 -45.9 82 378 A V H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -49,-0.3 0.935 111.7 50.5 -66.7 -44.1 -15.7 8.3 -44.5 83 379 A A H X S+ 0 0 1 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.906 112.9 48.1 -60.3 -36.8 -18.0 10.4 -46.8 84 380 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 3,-1.3 0.912 104.7 59.5 -73.2 -37.5 -16.0 9.2 -49.8 85 381 A K H ><5S+ 0 0 55 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.864 100.0 55.6 -54.1 -41.0 -16.2 5.5 -48.6 86 382 A W H 3<5S+ 0 0 52 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.724 108.2 50.4 -68.5 -17.6 -20.0 5.7 -48.8 87 383 A K T <<5S- 0 0 106 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.206 122.2-107.3 -98.2 10.1 -19.5 6.7 -52.4 88 384 A G T < 5S+ 0 0 72 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.679 78.8 128.0 72.1 20.2 -17.2 3.8 -53.2 89 385 A I < - 0 0 19 -5,-2.4 2,-0.4 -8,-0.1 -1,-0.2 -0.915 50.1-140.0-116.4 139.0 -14.1 6.0 -53.3 90 386 A E - 0 0 141 -2,-0.4 2,-0.6 -28,-0.1 -23,-0.1 -0.753 6.7-157.4 -96.0 133.6 -10.8 5.6 -51.5 91 387 A L + 0 0 28 -2,-0.4 2,-0.3 -10,-0.1 -25,-0.2 -0.943 26.2 162.0-107.6 122.5 -8.8 8.5 -50.0 92 388 A C + 0 0 39 -27,-2.7 -25,-0.2 -2,-0.6 3,-0.1 -0.895 41.4 46.4-130.2 169.7 -5.2 7.8 -49.5 93 389 A G + 0 0 10 -2,-0.3 -21,-2.4 1,-0.2 2,-1.0 0.698 55.0 159.6 76.1 23.9 -1.9 9.7 -48.9 94 390 A V E +e 72 0A 40 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.675 6.0 169.4 -77.1 103.9 -3.1 12.1 -46.2 95 391 A S E + 0 0 42 -23,-1.7 2,-0.3 -2,-1.0 -22,-0.2 0.534 62.1 35.6 -97.5 -5.0 0.3 13.0 -44.8 96 392 A F E -e 73 0A 0 -24,-1.3 -22,-2.8 -3,-0.1 2,-0.6 -0.942 55.4-172.6-154.1 123.2 -0.9 15.9 -42.6 97 393 A D E > -e 74 0A 2 -2,-0.3 4,-2.5 -24,-0.2 -22,-0.2 -0.945 7.1-165.2-118.8 109.2 -4.1 16.5 -40.7 98 394 A L H > S+ 0 0 0 -24,-2.9 4,-2.6 -2,-0.6 5,-0.2 0.804 88.2 57.6 -63.5 -37.1 -4.4 20.0 -39.3 99 395 A L H > S+ 0 0 18 -25,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 112.2 40.8 -55.6 -48.1 -7.3 19.1 -36.9 100 396 A L H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.861 113.5 54.2 -72.3 -34.9 -5.1 16.4 -35.3 101 397 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.940 111.1 45.3 -61.1 -46.8 -2.0 18.7 -35.3 102 398 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.930 110.8 54.2 -65.5 -42.2 -3.9 21.4 -33.5 103 399 A Y H < S+ 0 0 9 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 108.9 47.6 -57.4 -40.4 -5.4 18.9 -31.0 104 400 A L H < S+ 0 0 2 -4,-2.1 370,-0.4 1,-0.2 -1,-0.2 0.875 111.1 51.9 -68.7 -35.7 -1.9 17.6 -30.1 105 401 A L H < S- 0 0 2 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 136.4 -10.1 -71.5 -40.7 -0.5 21.1 -29.6 106 402 A D >< - 0 0 29 -4,-2.4 3,-1.4 -5,-0.1 5,-0.3 -0.599 54.6-174.9-161.2 100.6 -3.2 22.3 -27.3 107 403 A P G > S+ 0 0 8 0, 0.0 3,-1.1 0, 0.0 4,-0.1 0.746 83.7 69.4 -66.4 -23.7 -6.4 20.2 -26.6 108 404 A A G 3 S+ 0 0 62 1,-0.2 -5,-0.1 208,-0.1 208,-0.1 0.654 81.5 73.6 -70.2 -17.3 -7.9 23.1 -24.5 109 405 A Q G < S- 0 0 112 -3,-1.4 -1,-0.2 -7,-0.2 3,-0.1 0.773 92.4-140.4 -66.0 -22.2 -8.3 25.4 -27.6 110 406 A G < - 0 0 47 -3,-1.1 2,-0.3 -4,-0.3 -2,-0.1 0.890 24.5-167.7 62.5 40.2 -11.3 23.3 -28.7 111 407 A V + 0 0 11 -5,-0.3 -1,-0.2 1,-0.2 3,-0.1 -0.489 26.5 152.0 -65.3 114.9 -10.2 23.6 -32.3 112 408 A D + 0 0 125 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.255 59.3 37.6-129.1 8.1 -13.1 22.3 -34.4 113 409 A D S > S- 0 0 16 1,-0.1 4,-1.8 -14,-0.1 3,-0.2 -0.974 84.0-107.1-147.1 168.1 -12.6 24.3 -37.6 114 410 A V H > S+ 0 0 4 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.867 116.1 59.2 -56.9 -38.0 -9.7 25.5 -39.8 115 411 A A H > S+ 0 0 13 12,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.914 105.3 48.5 -63.3 -42.2 -10.3 29.1 -38.6 116 412 A A H > S+ 0 0 30 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.895 113.6 46.7 -64.6 -42.5 -9.6 28.2 -35.0 117 413 A A H >< S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 4,-0.4 0.934 111.1 52.8 -61.5 -45.1 -6.5 26.3 -35.9 118 414 A A H ><>S+ 0 0 0 -4,-3.1 5,-2.2 1,-0.2 3,-1.9 0.883 100.4 61.3 -61.1 -35.5 -5.3 29.2 -38.1 119 415 A K H ><5S+ 0 0 130 -4,-2.0 3,-2.0 1,-0.3 -1,-0.2 0.817 90.4 69.3 -62.7 -30.2 -5.8 31.7 -35.2 120 416 A M T <<5S+ 0 0 43 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.735 108.1 37.3 -60.0 -24.6 -3.1 29.7 -33.2 121 417 A K T < 5S- 0 0 52 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 -0.022 121.1-102.5-117.7 26.2 -0.6 31.0 -35.7 122 418 A Q T < 5S+ 0 0 158 -3,-2.0 2,-0.6 1,-0.2 -3,-0.2 0.828 76.9 140.5 60.1 30.5 -2.0 34.6 -36.2 123 419 A Y < + 0 0 52 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.957 13.3 157.4-104.8 119.2 -3.5 33.5 -39.5 124 420 A E + 0 0 127 -2,-0.6 2,-1.7 -3,-0.1 -1,-0.1 0.345 33.9 110.4-126.0 7.4 -6.9 35.1 -39.9 125 421 A A S S+ 0 0 46 -7,-0.1 2,-0.3 28,-0.1 32,-0.1 -0.132 71.3 69.9 -80.4 45.4 -7.6 35.1 -43.7 126 422 A V S S- 0 0 12 -2,-1.7 24,-0.1 -11,-0.1 -3,-0.0 -0.968 78.5-122.5-157.1 140.8 -10.3 32.4 -43.4 127 423 A R - 0 0 118 -2,-0.3 -12,-0.3 23,-0.1 -13,-0.1 -0.648 29.6-103.7 -87.3 146.7 -13.8 32.5 -41.9 128 424 A P >> - 0 0 59 0, 0.0 4,-1.3 0, 0.0 3,-0.8 -0.413 30.4-123.5 -55.9 136.5 -15.2 30.2 -39.1 129 425 A D H 3> S+ 0 0 36 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.858 111.2 62.2 -51.9 -38.1 -17.5 27.6 -40.5 130 426 A E H 3> S+ 0 0 117 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.877 103.1 48.9 -61.8 -37.3 -20.2 28.9 -38.2 131 427 A A H <4 S+ 0 0 56 -3,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.785 116.4 42.7 -67.9 -34.1 -20.1 32.3 -39.9 132 428 A V H < S+ 0 0 12 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.917 127.8 27.5 -80.7 -45.1 -20.3 30.7 -43.4 133 429 A Y H < S- 0 0 8 -4,-3.2 7,-2.3 1,-0.2 -3,-0.2 0.581 99.2-142.1 -91.6 -10.5 -22.9 28.0 -42.7 134 430 A G < - 0 0 27 -4,-1.6 2,-0.3 -5,-0.4 -1,-0.2 -0.250 26.4 -87.1 69.8-171.4 -24.8 29.8 -39.9 135 431 A K > - 0 0 145 -4,-0.1 3,-1.4 4,-0.1 2,-0.2 -0.982 69.6 -12.1-142.3 155.0 -26.1 27.7 -37.0 136 432 A G G > S- 0 0 62 -2,-0.3 3,-1.3 1,-0.3 0, 0.0 -0.436 126.9 -3.4 69.1-131.0 -29.1 25.7 -35.8 137 433 A A G 3 S+ 0 0 114 1,-0.2 -1,-0.3 -2,-0.2 -3,-0.0 0.699 135.5 57.6 -68.4 -19.2 -32.2 26.0 -37.8 138 434 A K G < S+ 0 0 183 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.450 73.7 129.5 -92.5 1.0 -30.5 28.6 -40.1 139 435 A R < + 0 0 97 -3,-1.3 2,-0.3 -5,-0.1 -5,-0.2 -0.372 32.7 154.3 -56.2 120.7 -27.7 26.2 -41.0 140 436 A A - 0 0 60 -7,-2.3 -2,-0.0 -2,-0.1 -3,-0.0 -0.985 50.1-115.3-151.4 143.8 -27.5 26.3 -44.8 141 437 A V - 0 0 69 -2,-0.3 -8,-0.1 1,-0.1 3,-0.1 -0.683 45.0-135.3 -69.3 126.9 -25.0 25.7 -47.6 142 438 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.210 31.7 -68.9 -82.3 178.4 -24.6 29.1 -49.2 143 439 A D > - 0 0 133 1,-0.1 4,-2.9 4,-0.1 3,-0.4 -0.151 56.1 -95.9 -63.0 162.8 -24.5 29.9 -52.9 144 440 A E H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.720 118.0 50.4 -60.4 -34.7 -21.6 28.8 -55.0 145 441 A P H > S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.920 116.6 42.1 -72.2 -38.4 -19.4 31.9 -55.0 146 442 A V H > S+ 0 0 68 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.954 118.1 47.3 -68.0 -48.6 -19.5 32.3 -51.3 147 443 A L H X S+ 0 0 10 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.927 113.0 48.6 -56.1 -48.2 -19.1 28.4 -50.8 148 444 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.895 109.9 50.4 -66.3 -39.9 -16.1 28.3 -53.3 149 445 A E H X S+ 0 0 54 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.946 111.2 49.6 -62.4 -45.1 -14.3 31.2 -51.7 150 446 A H H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.939 111.5 47.2 -58.0 -50.0 -14.6 29.7 -48.2 151 447 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.889 112.9 49.2 -61.5 -41.7 -13.4 26.2 -49.3 152 448 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.896 109.9 51.7 -63.7 -40.5 -10.4 27.8 -51.2 153 449 A R H X S+ 0 0 39 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.911 110.2 49.8 -61.9 -39.7 -9.5 29.9 -48.1 154 450 A K H X S+ 0 0 8 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.969 112.9 45.7 -62.6 -51.3 -9.6 26.8 -46.0 155 451 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.874 112.7 50.7 -58.5 -41.8 -7.3 24.9 -48.4 156 452 A A H X S+ 0 0 9 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.885 109.4 51.2 -65.1 -38.0 -5.0 27.9 -48.6 157 453 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.953 110.5 48.9 -62.8 -47.8 -4.8 28.1 -44.8 158 454 A I H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.938 110.9 50.2 -54.6 -49.2 -3.9 24.4 -44.6 159 455 A W H < S+ 0 0 86 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.899 116.1 42.6 -57.4 -43.2 -1.2 24.9 -47.2 160 456 A A H 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137.2 -6.9 -4.4 -20.1 359 655 A S S S- 0 0 26 208,-3.2 208,-0.4 -2,-0.2 5,-0.1 -0.840 80.6 -26.3 -90.3 113.4 -7.0 -5.4 -16.5 360 656 A Q S > S+ 0 0 66 -2,-0.7 4,-2.1 1,-0.1 -1,-0.2 0.876 77.1 165.9 52.7 46.9 -6.4 -2.2 -14.3 361 657 A I H > S+ 0 0 8 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.928 71.0 53.7 -60.6 -41.2 -4.4 -0.4 -17.0 362 658 A E H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.954 111.7 44.1 -61.5 -48.6 -4.6 2.9 -15.1 363 659 A L H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.860 113.1 51.9 -63.0 -33.1 -3.2 1.5 -11.9 364 660 A R H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.898 109.2 49.5 -73.1 -36.5 -0.5 -0.4 -13.8 365 661 A V H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.3 0.899 110.4 52.0 -61.7 -41.7 0.5 2.9 -15.5 366 662 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.924 107.2 51.9 -61.1 -42.4 0.7 4.6 -12.2 367 663 A A H X>S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 5,-0.7 0.914 113.9 45.1 -59.9 -43.3 2.9 1.8 -10.9 368 664 A H H <5S+ 0 0 26 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.932 117.1 40.9 -66.1 -46.7 5.2 2.3 -13.8 369 665 A I H <5S+ 0 0 41 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.874 122.3 40.1 -73.6 -38.2 5.3 6.1 -13.8 370 666 A A H <5S- 0 0 12 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.647 94.4-144.2 -79.8 -18.3 5.6 6.5 -10.0 371 667 A E T <5 + 0 0 96 -4,-1.0 2,-0.6 -5,-0.3 -3,-0.2 0.910 29.9 177.7 46.3 49.1 7.9 3.5 -9.7 372 668 A D >< - 0 0 2 -5,-0.7 4,-2.8 -6,-0.3 5,-0.3 -0.710 23.7-150.4 -83.8 121.9 6.3 2.5 -6.4 373 669 A D H > S+ 0 0 127 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.901 93.4 47.5 -64.5 -41.3 7.9 -0.7 -5.2 374 670 A N H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.937 115.8 44.0 -64.3 -47.1 4.9 -2.0 -3.3 375 671 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.892 113.8 49.7 -67.3 -40.6 2.5 -1.3 -6.2 376 672 A M H X S+ 0 0 11 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.935 111.6 49.8 -66.8 -46.2 4.9 -2.7 -8.9 377 673 A E H X S+ 0 0 77 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.904 106.9 55.5 -54.1 -47.1 5.4 -5.9 -6.8 378 674 A A H <>S+ 0 0 2 -4,-2.3 5,-2.5 1,-0.2 -1,-0.2 0.926 113.1 41.0 -53.8 -44.5 1.6 -6.2 -6.4 379 675 A F H ><5S+ 0 0 3 -4,-1.8 3,-1.8 3,-0.2 -2,-0.2 0.866 109.5 57.5 -75.7 -34.3 1.2 -6.2 -10.2 380 676 A R H 3<5S+ 0 0 134 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 109.9 46.2 -65.1 -27.6 4.2 -8.4 -10.8 381 677 A R T 3<5S- 0 0 149 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.263 111.5-128.0 -88.0 4.1 2.5 -11.0 -8.6 382 678 A D T < 5 + 0 0 78 -3,-1.8 -3,-0.2 1,-0.1 -2,-0.1 0.838 47.2 173.9 45.5 47.4 -0.7 -10.3 -10.5 383 679 A L < - 0 0 59 -5,-2.5 2,-0.9 -6,-0.2 -1,-0.1 -0.312 47.5 -96.1 -78.6 158.6 -2.6 -9.7 -7.2 384 680 A D > - 0 0 74 1,-0.2 4,-2.5 2,-0.0 5,-0.2 -0.692 42.6-153.0 -66.2 109.2 -6.2 -8.6 -6.8 385 681 A I H > S+ 0 0 5 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.803 87.0 51.2 -66.9 -31.5 -5.2 -4.9 -6.4 386 682 A H H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.907 111.0 47.3 -75.0 -39.1 -8.2 -3.9 -4.3 387 683 A T H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 113.6 49.4 -61.7 -45.9 -7.7 -6.8 -1.8 388 684 A K H X S+ 0 0 32 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.885 110.1 49.6 -64.2 -38.4 -4.0 -5.9 -1.5 389 685 A T H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.904 111.0 51.3 -67.4 -38.8 -4.7 -2.2 -1.0 390 686 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 6,-0.3 0.928 108.8 51.4 -59.1 -44.8 -7.3 -3.2 1.7 391 687 A M H X>S+ 0 0 42 -4,-2.4 5,-1.5 1,-0.2 4,-0.6 0.876 114.6 42.7 -62.4 -39.1 -4.6 -5.4 3.4 392 688 A D H <5S+ 0 0 25 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.909 115.9 43.7 -79.1 -43.8 -2.1 -2.6 3.4 393 689 A I H <5S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.876 123.4 37.7 -73.2 -32.9 -4.3 0.3 4.5 394 690 A F H <5S- 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.509 103.6-129.8 -90.7 -4.5 -6.0 -1.7 7.2 395 691 A Q T <5 + 0 0 151 -4,-0.6 2,-0.3 -5,-0.2 -3,-0.2 0.912 62.6 129.4 55.3 48.4 -2.9 -3.7 8.2 396 692 A V < - 0 0 30 -5,-1.5 -1,-0.2 -6,-0.3 2,-0.1 -0.818 59.9-105.7-127.0 162.8 -4.6 -7.1 8.0 397 693 A S > - 0 0 54 -2,-0.3 3,-1.5 -3,-0.1 4,-0.3 -0.454 42.7 -99.2 -82.4 166.7 -4.0 -10.4 6.3 398 694 A E G > S+ 0 0 131 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.844 122.5 58.4 -57.0 -40.9 -5.9 -11.5 3.3 399 695 A D G 3 S+ 0 0 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