==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 04-JUN-09 3HPO . COMPND 2 MOLECULE: DNA POLYMERASE I, LARGE FRAGMENT; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR E.Y.WU,L.S.BEESE . 580 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 409 70.5 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 . 50 8.6 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 . 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 . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 41.2 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 2 1 2 4 1 3 0 0 2 2 0 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 . 1 2 2 1 1 2 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 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.9 -9.9 -42.7 49.9 2 298 A K - 0 0 187 1,-0.1 2,-0.4 0, 0.0 147,-0.0 0.161 360.0-125.3 -32.4 142.3 -11.2 -39.9 52.2 3 299 A M - 0 0 30 146,-0.0 2,-0.2 1,-0.0 -1,-0.1 -0.832 23.9-119.4 -99.5 133.7 -8.8 -36.9 52.7 4 300 A A + 0 0 70 -2,-0.4 2,-0.3 148,-0.0 43,-0.0 -0.452 47.2 141.8 -74.9 138.4 -8.0 -36.0 56.2 5 301 A F - 0 0 57 -2,-0.2 2,-0.6 41,-0.1 43,-0.2 -0.980 49.3-103.7-164.3 165.3 -8.8 -32.5 57.5 6 302 A T E -a 48 0A 77 41,-2.9 43,-2.9 -2,-0.3 2,-1.3 -0.866 19.3-151.5 -96.6 119.3 -10.0 -30.6 60.5 7 303 A L E -a 49 0A 63 -2,-0.6 43,-0.1 41,-0.2 2,-0.1 -0.776 33.5-153.0 -85.4 95.2 -13.6 -29.4 60.4 8 304 A A - 0 0 8 41,-2.1 43,-0.4 -2,-1.3 3,-0.1 -0.363 30.5-167.0 -82.3 149.9 -12.9 -26.4 62.6 9 305 A D S S+ 0 0 119 1,-0.3 2,-0.3 41,-0.1 -1,-0.1 0.633 80.8 19.6-100.8 -23.8 -15.4 -24.6 64.9 10 306 A R S S- 0 0 160 44,-0.0 -1,-0.3 40,-0.0 2,-0.2 -0.990 89.2 -94.5-145.8 153.2 -13.1 -21.6 65.4 11 307 A V - 0 0 2 -2,-0.3 2,-0.3 -3,-0.1 49,-0.1 -0.463 42.1-164.5 -68.9 130.8 -10.1 -20.0 63.7 12 308 A T > - 0 0 32 -2,-0.2 3,-1.6 1,-0.1 4,-0.2 -0.800 31.2-110.3-116.2 161.4 -6.8 -21.1 65.1 13 309 A E G > S+ 0 0 160 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.828 113.5 61.0 -56.4 -38.9 -3.3 -19.6 64.7 14 310 A E G > S+ 0 0 91 1,-0.3 3,-0.6 2,-0.1 31,-0.3 0.646 95.8 63.6 -70.2 -10.8 -2.0 -22.5 62.6 15 311 A M G < S+ 0 0 2 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.580 95.6 61.7 -80.6 -10.2 -4.6 -21.6 60.0 16 312 A L G < S+ 0 0 25 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 -0.045 70.5 145.4-112.7 29.7 -3.0 -18.2 59.5 17 313 A A < - 0 0 12 -3,-0.6 -3,-0.0 2,-0.1 3,-0.0 -0.164 63.1-106.7 -61.8 163.2 0.5 -19.2 58.2 18 314 A D S S+ 0 0 98 1,-0.1 53,-2.3 52,-0.1 2,-0.3 0.349 104.2 43.6 -84.5 6.4 2.2 -17.0 55.6 19 315 A K E S+b 71 0A 76 51,-0.2 25,-0.5 2,-0.0 2,-0.3 -0.926 72.1 146.4-146.6 128.9 1.6 -19.4 52.7 20 316 A A E -bC 72 43A 0 51,-2.0 53,-2.5 -2,-0.3 2,-0.5 -0.996 48.0-121.0-154.2 152.5 -1.6 -21.3 52.1 21 317 A A E -bC 73 42A 0 21,-3.1 21,-2.6 -2,-0.3 2,-0.4 -0.904 42.1-164.8 -90.9 130.4 -4.0 -22.7 49.5 22 318 A L E - C 0 41A 1 51,-2.6 2,-0.4 -2,-0.5 53,-0.4 -0.970 17.3-171.7-126.3 130.9 -7.3 -20.9 50.1 23 319 A V E + C 0 40A 9 17,-2.5 17,-2.0 -2,-0.4 2,-0.5 -0.991 5.0 179.5-120.9 124.8 -10.7 -21.8 48.8 24 320 A V E - C 0 39A 10 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.891 30.9-141.9-123.9 93.3 -13.6 -19.3 49.4 25 321 A E E + C 0 38A 16 13,-2.5 12,-2.6 -2,-0.5 13,-0.6 -0.456 28.7 173.3 -80.7 118.4 -16.4 -21.1 47.7 26 322 A V + 0 0 8 -2,-0.4 10,-0.1 10,-0.2 5,-0.1 -0.960 2.9 179.4-117.8 113.3 -19.0 -19.2 45.7 27 323 A V + 0 0 14 -2,-0.5 -1,-0.1 8,-0.4 2,-0.1 0.806 53.2 91.9 -88.4 -32.7 -21.4 -21.6 44.0 28 324 A E S S- 0 0 112 7,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.449 77.3-134.2 -60.3 137.5 -23.8 -19.2 42.2 29 325 A E S S+ 0 0 142 1,-0.2 2,-1.0 -2,-0.1 -1,-0.1 0.909 100.3 57.8 -63.3 -43.9 -22.4 -18.6 38.7 30 326 A N S S- 0 0 37 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.794 74.7-171.3 -87.4 105.3 -22.9 -14.9 39.1 31 327 A Y > + 0 0 2 -2,-1.0 3,-1.9 2,-0.1 2,-0.3 0.455 39.8 125.5 -82.6 -0.5 -20.9 -14.2 42.2 32 328 A H T 3 S- 0 0 9 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.471 96.5 -16.1 -64.9 123.5 -22.1 -10.6 42.7 33 329 A A T 3 S+ 0 0 51 -2,-0.3 -1,-0.3 49,-0.2 -2,-0.1 0.723 105.8 150.3 51.7 28.1 -23.5 -10.4 46.3 34 330 A A < - 0 0 7 -3,-1.9 -1,-0.2 1,-0.1 2,-0.1 -0.491 50.3 -94.2 -89.8 159.0 -23.6 -14.2 46.3 35 331 A P - 0 0 60 0, 0.0 2,-0.6 0, 0.0 -8,-0.4 -0.382 22.8-136.1 -71.1 144.7 -23.2 -16.4 49.4 36 332 A I - 0 0 10 -10,-0.1 -10,-0.2 1,-0.1 17,-0.1 -0.928 19.6-169.3 -93.8 120.2 -19.9 -17.9 50.4 37 333 A V - 0 0 36 -12,-2.6 2,-0.3 -2,-0.6 -11,-0.1 0.651 57.7 -22.0 -90.0 -16.2 -20.8 -21.5 51.3 38 334 A G E -C 25 0A 0 -13,-0.6 -13,-2.5 13,-0.1 2,-0.4 -0.926 51.6-132.5 175.1 159.0 -17.5 -22.6 52.9 39 335 A I E -CD 24 50A 1 11,-2.1 11,-2.9 -2,-0.3 2,-0.4 -0.974 14.7-170.7-128.5 138.4 -13.8 -22.0 53.3 40 336 A A E -CD 23 49A 0 -17,-2.0 -17,-2.5 -2,-0.4 2,-0.4 -0.995 2.0-168.5-128.7 140.3 -10.9 -24.4 53.1 41 337 A V E -CD 22 48A 0 7,-2.4 7,-3.1 -2,-0.4 2,-0.5 -0.998 3.3-175.2-125.5 129.0 -7.3 -23.7 54.0 42 338 A V E +CD 21 47A 5 -21,-2.6 -21,-3.1 -2,-0.4 2,-0.2 -0.989 24.3 139.5-121.3 123.1 -4.4 -26.0 53.3 43 339 A N E > -CD 20 46A 6 3,-2.4 3,-1.2 -2,-0.5 -23,-0.1 -0.753 68.0 -67.1-143.4-166.9 -1.0 -25.0 54.6 44 340 A E T 3 S+ 0 0 132 -25,-0.5 3,-0.1 1,-0.2 -24,-0.1 0.709 127.5 54.0 -60.9 -19.9 2.2 -26.4 56.1 45 341 A H T 3 S- 0 0 90 -31,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.569 119.0 -84.9 -97.7 -11.1 0.2 -27.3 59.3 46 342 A G E < - D 0 43A 28 -3,-1.2 -3,-2.4 -32,-0.1 2,-0.4 -0.956 53.2 -52.0 143.9-159.1 -2.6 -29.3 57.8 47 343 A R E - D 0 42A 93 -2,-0.3 -41,-2.9 -5,-0.2 2,-0.4 -0.967 48.4-173.8-123.6 133.8 -5.9 -29.0 56.1 48 344 A F E -aD 6 41A 3 -7,-3.1 -7,-2.4 -2,-0.4 2,-0.4 -0.963 17.1-157.9-133.2 141.9 -8.9 -27.1 57.5 49 345 A F E -aD 7 40A 2 -43,-2.9 -41,-2.1 -2,-0.4 2,-0.4 -0.955 17.8-173.1-112.0 138.9 -12.5 -26.4 56.8 50 346 A L E - D 0 39A 1 -11,-2.9 -11,-2.1 -2,-0.4 -41,-0.1 -0.988 25.1-124.6-131.7 140.4 -14.3 -23.3 58.2 51 347 A R >> - 0 0 51 -43,-0.4 4,-2.5 -2,-0.4 3,-0.6 -0.661 24.5-132.5 -78.0 136.4 -17.9 -22.2 58.2 52 348 A P H 3> S+ 0 0 13 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.894 103.7 58.5 -60.2 -44.1 -18.2 -18.7 56.6 53 349 A E H 34 S+ 0 0 126 1,-0.2 4,-0.2 2,-0.2 -15,-0.0 0.856 115.2 40.6 -54.5 -34.7 -20.4 -17.2 59.3 54 350 A T H X4 S+ 0 0 43 -3,-0.6 3,-0.9 2,-0.1 -1,-0.2 0.967 119.9 38.0 -74.2 -61.7 -17.5 -18.1 61.7 55 351 A A H >< S+ 0 0 0 -4,-2.5 3,-1.6 1,-0.3 7,-0.3 0.882 114.9 52.9 -64.1 -41.5 -14.4 -17.3 59.8 56 352 A L T 3< S+ 0 0 27 -4,-2.6 -1,-0.3 1,-0.3 -3,-0.1 0.572 109.1 50.6 -76.4 -9.4 -15.7 -14.1 58.1 57 353 A A T < S+ 0 0 78 -3,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.170 90.5 100.2-107.6 14.5 -16.8 -12.7 61.5 58 354 A D <> - 0 0 28 -3,-1.6 4,-3.0 1,-0.1 5,-0.2 -0.900 63.6-152.3-106.1 116.4 -13.3 -13.4 63.0 59 355 A P H > S+ 0 0 90 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.813 96.1 49.0 -55.4 -36.7 -11.0 -10.4 63.2 60 356 A Q H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.912 113.4 45.5 -73.0 -40.9 -7.8 -12.5 62.9 61 357 A F H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.929 114.7 49.4 -63.0 -43.2 -9.1 -14.4 59.9 62 358 A V H X S+ 0 0 46 -4,-3.0 4,-1.6 -7,-0.3 -2,-0.2 0.913 111.2 48.6 -62.9 -43.2 -10.3 -11.2 58.3 63 359 A A H X S+ 0 0 63 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.858 109.7 53.1 -63.5 -36.9 -6.9 -9.6 58.9 64 360 A W H >< S+ 0 0 8 -4,-2.1 3,-1.2 1,-0.2 6,-0.2 0.946 105.8 53.2 -63.8 -47.4 -5.1 -12.6 57.5 65 361 A L H 3< S+ 0 0 1 -4,-2.6 27,-2.9 1,-0.2 -1,-0.2 0.885 113.8 44.1 -51.1 -40.8 -7.2 -12.4 54.3 66 362 A G H 3< S+ 0 0 25 -4,-1.6 2,-0.8 25,-0.2 -1,-0.2 0.481 86.0 103.6 -89.5 -4.1 -6.2 -8.7 53.9 67 363 A D X< - 0 0 56 -3,-1.2 3,-2.1 -4,-0.7 25,-0.1 -0.722 56.3-159.1 -86.9 108.5 -2.5 -9.0 54.7 68 364 A E T 3 S+ 0 0 97 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.0 0.701 91.0 61.5 -57.4 -21.3 -0.6 -8.8 51.4 69 365 A T T 3 S+ 0 0 78 1,-0.1 2,-0.8 2,-0.1 -1,-0.3 0.616 86.1 79.9 -85.0 -13.0 2.4 -10.6 53.2 70 366 A K S < S- 0 0 61 -3,-2.1 2,-0.3 -6,-0.2 -51,-0.2 -0.856 83.6-144.0 -93.9 106.9 0.3 -13.7 53.9 71 367 A K E -b 19 0A 65 -53,-2.3 -51,-2.0 -2,-0.8 2,-0.4 -0.531 17.1-168.5 -87.1 135.7 0.4 -15.5 50.5 72 368 A K E -be 20 94A 0 21,-2.7 23,-2.3 -2,-0.3 24,-1.2 -0.939 13.0-155.4-122.6 140.2 -2.5 -17.4 49.1 73 369 A S E +be 21 96A 0 -53,-2.5 -51,-2.6 -2,-0.4 2,-0.3 -0.961 32.8 158.2-107.3 135.2 -2.8 -19.8 46.2 74 370 A M E - e 0 97A 3 22,-2.9 24,-3.2 -2,-0.4 2,-0.4 -0.844 43.1-118.3-144.5 175.1 -6.3 -20.0 44.7 75 371 A F S S- 0 0 33 -53,-0.4 5,-0.1 -2,-0.3 39,-0.1 -0.990 98.3 -2.5-122.8 120.7 -8.5 -20.9 41.8 76 372 A D S > S+ 0 0 30 -2,-0.4 4,-1.3 3,-0.1 3,-0.4 0.989 71.5 178.9 61.9 62.5 -10.6 -18.0 40.4 77 373 A S H > S+ 0 0 10 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.795 73.6 65.5 -65.2 -29.5 -9.4 -15.5 42.9 78 374 A K H > S+ 0 0 9 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.915 99.6 52.0 -59.0 -45.9 -11.6 -12.7 41.3 79 375 A R H > S+ 0 0 57 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.937 114.7 42.1 -52.7 -51.0 -14.7 -14.6 42.2 80 376 A A H X S+ 0 0 3 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.923 114.4 51.1 -63.6 -46.0 -13.6 -14.8 45.8 81 377 A A H X S+ 0 0 17 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.893 113.3 44.2 -61.7 -41.3 -12.3 -11.2 45.9 82 378 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -49,-0.2 0.939 111.9 51.0 -72.9 -45.1 -15.6 -9.8 44.5 83 379 A A H X S+ 0 0 0 -4,-2.4 4,-0.5 -5,-0.3 -2,-0.2 0.902 113.0 48.5 -59.3 -37.2 -17.8 -11.9 46.7 84 380 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 3,-1.2 0.902 105.4 57.1 -67.0 -40.0 -15.7 -10.7 49.7 85 381 A K H ><5S+ 0 0 53 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.878 100.7 57.8 -56.8 -39.7 -16.0 -7.1 48.5 86 382 A W H 3<5S+ 0 0 75 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.747 108.3 47.6 -63.8 -20.5 -19.8 -7.4 48.7 87 383 A K T <<5S- 0 0 108 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.287 122.1-108.4-100.8 7.8 -19.3 -8.3 52.4 88 384 A G T < 5S+ 0 0 73 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.739 77.5 131.1 71.8 26.2 -16.9 -5.4 53.0 89 385 A I < - 0 0 20 -5,-2.5 2,-0.4 -8,-0.1 -1,-0.2 -0.944 49.0-141.4-117.6 129.4 -13.8 -7.7 53.2 90 386 A E - 0 0 109 -2,-0.4 2,-0.6 -28,-0.1 -23,-0.1 -0.728 7.8-156.0 -91.7 130.0 -10.5 -7.1 51.4 91 387 A L + 0 0 22 -2,-0.4 2,-0.3 -10,-0.1 -25,-0.2 -0.933 23.9 163.2-104.5 121.7 -8.6 -10.0 49.9 92 388 A X + 0 0 100 -27,-2.9 -25,-0.2 -2,-0.6 -23,-0.0 -0.846 43.4 48.9-127.3 166.1 -4.8 -9.4 49.4 93 389 A G + 0 0 9 -2,-0.3 -21,-2.7 1,-0.3 2,-0.8 0.642 55.2 158.7 84.0 15.8 -1.8 -11.5 48.9 94 390 A V E +e 72 0A 40 -23,-0.2 -1,-0.3 1,-0.2 -21,-0.2 -0.647 5.0 166.7 -72.3 112.0 -3.0 -13.8 46.1 95 391 A S E + 0 0 42 -23,-2.3 2,-0.3 -2,-0.8 -22,-0.2 0.581 61.9 31.5-104.2 -13.4 0.3 -14.9 44.5 96 392 A F E -e 73 0A 0 -24,-1.2 -22,-2.9 87,-0.1 2,-0.5 -0.946 55.2-171.1-150.1 123.6 -1.0 -17.8 42.4 97 393 A D E > -e 74 0A 2 -2,-0.3 4,-2.5 -24,-0.2 -22,-0.2 -0.963 8.5-162.6-116.2 110.9 -4.3 -18.2 40.5 98 394 A L H > S+ 0 0 0 -24,-3.2 4,-2.5 -2,-0.5 5,-0.2 0.787 89.1 56.9 -65.2 -32.7 -4.6 -21.8 39.1 99 395 A L H > S+ 0 0 17 -25,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.958 110.7 42.0 -60.3 -52.5 -7.4 -20.7 36.8 100 396 A L H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.893 114.1 53.9 -65.0 -38.9 -5.3 -18.0 35.1 101 397 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.936 110.8 44.5 -58.7 -47.8 -2.3 -20.4 35.1 102 398 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.897 110.7 55.8 -66.0 -39.4 -4.2 -23.1 33.3 103 399 A Y H < S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 110.0 45.3 -56.1 -44.7 -5.7 -20.5 30.9 104 400 A L H < S+ 0 0 0 -4,-2.1 370,-0.4 1,-0.2 -2,-0.2 0.893 110.7 52.7 -69.9 -40.7 -2.2 -19.4 29.8 105 401 A L H < S- 0 0 3 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 137.2 -11.6 -64.4 -38.4 -0.8 -22.9 29.5 106 402 A D >< - 0 0 27 -4,-2.2 3,-1.6 -5,-0.2 5,-0.4 -0.528 54.1-172.5-165.3 97.7 -3.7 -23.9 27.1 107 403 A P G > S+ 0 0 7 0, 0.0 3,-1.2 0, 0.0 -3,-0.1 0.747 84.9 68.7 -62.7 -21.0 -6.8 -21.8 26.6 108 404 A A G 3 S+ 0 0 64 1,-0.3 -5,-0.1 2,-0.1 208,-0.1 0.655 79.3 77.3 -75.0 -15.0 -8.4 -24.6 24.5 109 405 A Q G < S- 0 0 112 -3,-1.6 -1,-0.3 -7,-0.2 3,-0.1 0.759 90.1-142.8 -67.7 -22.9 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13.9 365 661 A V H X S+ 0 0 3 -4,-2.9 4,-3.0 -5,-0.2 5,-0.3 0.938 110.3 50.3 -60.1 -45.6 0.2 -4.5 15.5 366 662 A L H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.913 108.1 52.9 -56.3 -46.5 0.3 -6.1 12.0 367 663 A A H X>S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 5,-0.7 0.924 113.1 44.9 -55.9 -46.9 2.7 -3.4 10.8 368 664 A H H <5S+ 0 0 25 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.943 118.3 40.1 -62.1 -53.3 5.0 -4.0 13.8 369 665 A I H <5S+ 0 0 53 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.911 122.5 39.9 -69.6 -41.7 5.0 -7.8 13.6 370 666 A A H <5S- 0 0 9 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.700 92.6-144.9 -76.8 -19.4 5.2 -8.1 9.7 371 667 A E T <5 + 0 0 96 -4,-1.3 2,-0.6 -5,-0.4 -3,-0.2 0.921 29.1 178.4 45.1 47.3 7.6 -5.2 9.5 372 668 A D >< - 0 0 3 -5,-0.7 4,-2.8 -6,-0.3 5,-0.2 -0.707 24.4-147.7 -76.3 121.8 5.9 -4.2 6.2 373 669 A D H > S+ 0 0 126 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.864 95.0 47.2 -62.4 -38.5 7.7 -1.1 5.0 374 670 A N H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.911 114.5 45.5 -69.8 -45.6 4.6 0.4 3.4 375 671 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.914 114.8 48.6 -63.4 -43.9 2.3 -0.2 6.4 376 672 A M H X S+ 0 0 12 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.925 112.1 48.1 -64.3 -45.8 4.9 1.1 8.8 377 673 A E H X S+ 0 0 77 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.909 108.8 55.7 -59.7 -42.3 5.5 4.2 6.8 378 674 A A H <>S+ 0 0 2 -4,-2.4 5,-2.7 1,-0.2 -1,-0.2 0.908 111.4 41.8 -58.2 -44.1 1.7 4.8 6.5 379 675 A F H ><5S+ 0 0 3 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.856 109.5 58.4 -73.9 -32.3 1.3 4.7 10.3 380 676 A R H 3<5S+ 0 0 135 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.769 107.8 47.6 -66.1 -22.6 4.4 6.8 10.8 381 677 A R T 3<5S- 0 0 166 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.346 114.6-123.0 -91.7 3.2 2.7 9.5 8.6 382 678 A D T < 5 + 0 0 88 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.865 51.2 169.6 51.3 41.8 -0.4 9.1 10.7 383 679 A L < - 0 0 53 -5,-2.7 2,-0.8 -6,-0.2 -1,-0.2 -0.448 48.1-104.5 -74.1 151.1 -2.4 8.2 7.6 384 680 A D > - 0 0 59 1,-0.2 4,-2.5 -2,-0.1 5,-0.2 -0.748 35.5-149.9 -71.8 114.6 -5.9 6.8 7.9 385 681 A I H > S+ 0 0 1 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.804 90.7 52.5 -66.4 -30.7 -5.0 3.2 7.0 386 682 A H H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.897 111.7 46.3 -72.8 -35.9 -8.3 2.4 5.5 387 683 A T H > S+ 0 0 17 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.909 112.3 50.9 -69.3 -40.0 -8.1 5.4 3.2 388 684 A K H X S+ 0 0 38 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.919 112.1 46.7 -64.0 -41.9 -4.5 4.5 2.3 389 685 A T H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.4 0.938 110.4 53.3 -62.2 -46.6 -5.6 0.9 1.5 390 686 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.3 0.909 109.4 50.0 -52.3 -45.0 -8.5 2.3 -0.5 391 687 A M H X>S+ 0 0 50 -4,-2.6 5,-1.2 1,-0.2 4,-0.8 0.905 114.2 44.1 -59.7 -45.6 -5.9 4.4 -2.4 392 688 A D H <5S+ 0 0 33 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.929 119.5 38.0 -69.2 -48.4 -3.7 1.4 -3.1 393 689 A I H <5S+ 0 0 0 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.831 125.6 36.9 -78.8 -31.6 -6.3 -1.2 -4.1 394 690 A F H <5S- 0 0 35 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.570 103.2-130.1 -92.6 -9.4 -8.6 1.1 -6.1 395 691 A Q T <5 + 0 0 141 -4,-0.8 2,-0.3 -5,-0.3 -3,-0.2 0.957 60.7 127.9 58.4 55.3 -5.7 3.2 -7.5 396 692 A V < - 0 0 36 -5,-1.2 -1,-0.2 -6,-0.2 2,-0.1 -0.867 60.4-101.8-131.5 166.7 -7.0 6.6 -6.6 397 693 A S > - 0 0 55 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 -0.431 40.2-104.3 -81.2 164.5 -5.9 9.7 -4.8 398 694 A E G > S+ 0 0 124 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.866 118.2 62.4 -53.9 -38.1 -7.0 10.5 -1.2 399 695 A D G 3 S+ 0 0 162 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.759 104.9 46.7 -65.1 -27.7 -9.4 13.1 -2.5 400 696 A E G < S+ 0 0 101 -3,-1.2 2,-0.7 2,-0.1 -1,-0.3 0.326 76.7 109.7-105.8 10.0 -11.4 10.6 -4.4 401 697 A V < - 0 0 22 -3,-1.5 -10,-0.1 -4,-0.3 -14,-0.0 -0.772 60.1-149.0 -83.3 119.7 -11.9 7.8 -2.0 402 698 A T > - 0 0 66 -2,-0.7 4,-2.5 1,-0.1 3,-0.3 -0.353 26.8-104.5 -81.3 165.9 -15.6 7.9 -1.1 403 699 A P H > S+ 0 0 110 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.919 125.4 54.1 -56.5 -42.0 -17.0 6.8 2.2 404 700 A N H > S+ 0 0 107 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.834 107.1 51.6 -59.1 -35.0 -18.2 3.7 0.6 405 701 A M H > S+ 0 0 38 -3,-0.3 4,-2.5 2,-0.2 3,-0.3 0.944 107.7 50.7 -70.2 -44.4 -14.6 3.0 -0.6 406 702 A R H X S+ 0 0 75 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.923 108.4 53.0 -57.1 -42.8 -13.2 3.5 2.8 407 703 A R H X S+ 0 0 198 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.849 111.2 47.7 -61.1 -33.3 -15.8 1.0 4.2 408 704 A Q H X S+ 0 0 42 -4,-1.4 4,-2.0 -3,-0.3 -1,-0.2 0.872 107.6 52.5 -72.0 -42.1 -14.7 -1.5 1.5 409 705 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.851 106.4 57.4 -66.1 -31.6 -11.0 -1.0 2.2 410 706 A K H X S+ 0 0 69 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.915 104.3 50.3 -58.9 -48.5 -11.9 -1.8 5.8 411 707 A A H X S+ 0 0 18 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.884 113.2 46.4 -58.7 -39.0 -13.4 -5.1 4.7 412 708 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.4 0.938 112.9 49.0 -69.3 -46.6 -10.2 -5.9 2.8 413 709 A N H < S+ 0 0 1 -4,-3.2 4,-0.4 1,-0.2 -2,-0.2 0.887 117.9 40.5 -61.1 -40.2 -8.0 -4.8 5.8 414 710 A F H < S+ 0 0 102 -4,-3.0 4,-0.4 -5,-0.2 -1,-0.2 0.901 121.8 41.7 -73.3 -37.0 -10.0 -6.9 8.2 415 711 A G H <>S+ 0 0 12 -4,-2.3 5,-2.4 -5,-0.3 3,-0.4 0.896 103.2 55.4 -82.9 -45.9 -10.4 -9.9 5.9 416 712 A I T ><5S+ 0 0 5 -4,-2.5 3,-2.2 1,-0.2 -3,-0.1 0.945 107.6 47.1 -61.6 -53.9 -7.3 -10.7 4.0 417 713 A V T 3 5S+ 0 0 8 -4,-0.4 -1,-0.2 -5,-0.4 -2,-0.1 0.755 111.2 55.0 -57.6 -25.5 -4.9 -11.1 7.0 418 714 A S T 3 5S- 0 0 37 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.295 125.6 -98.1 -96.1 8.7 -7.5 -13.3 8.7 419 715 A G T < 5 + 0 0 19 -3,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.650 58.8 167.4 92.0 17.0 -7.7 -15.7 5.7 420 716 A I < - 0 0 45 -5,-2.4 -1,-0.2 -8,-0.1 2,-0.2 -0.255 27.8-134.2 -56.4 152.2 -10.8 -14.5 3.8 421 717 A S > - 0 0 53 1,-0.1 4,-2.2 0, 0.0 5,-0.3 -0.535 23.7-103.1-102.8 174.0 -11.1 -16.1 0.3 422 718 A D H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.906 123.2 54.4 -61.0 -40.3 -11.9 -14.6 -3.0 423 719 A Y H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.955 112.1 41.2 -56.2 -54.7 -15.4 -16.0 -2.6 424 720 A G H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.811 114.2 50.7 -66.8 -33.1 -16.0 -14.4 0.8 425 721 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.894 108.6 53.8 -72.5 -36.5 -14.4 -11.1 -0.1 426 722 A A H X>S+ 0 0 6 -4,-2.3 5,-2.1 -5,-0.3 4,-0.6 0.851 109.7 47.9 -61.5 -36.5 -16.6 -11.0 -3.3 427 723 A Q H <5S+ 0 0 92 -4,-1.5 3,-0.4 3,-0.2 -1,-0.2 0.903 112.3 50.0 -67.5 -42.7 -19.6 -11.6 -1.1 428 724 A N H <5S+ 0 0 100 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.860 120.8 32.9 -64.8 -41.1 -18.5 -8.8 1.3 429 725 A L H <5S- 0 0 10 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.374 105.5-123.4-100.5 2.6 -17.9 -6.3 -1.4 430 726 A N T <5S+ 0 0 110 -4,-0.6 2,-0.3 -3,-0.4 -3,-0.2 0.947 71.9 116.2 49.2 55.9 -20.7 -7.5 -3.7 431 727 A I S - 0 0 48 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.338 38.0-114.4 -75.6 159.0 -17.4 -11.1 -8.6 433 729 A R H > S+ 0 0 142 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.924 120.1 50.7 -52.1 -48.5 -14.9 -13.7 -7.3 434 730 A K H > S+ 0 0 171 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.874 108.1 52.3 -61.7 -37.6 -12.6 -12.7 -10.1 435 731 A E H > S+ 0 0 92 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.895 110.8 47.3 -62.6 -41.2 -12.9 -9.0 -9.2 436 732 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.850 105.6 58.8 -71.6 -35.9 -12.1 -9.8 -5.6 437 733 A A H X S+ 0 0 39 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.882 104.1 52.6 -59.5 -38.9 -9.1 -11.9 -6.6 438 734 A E H X S+ 0 0 111 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.907 108.5 49.1 -65.2 -40.9 -7.7 -8.8 -8.4 439 735 A F H X S+ 0 0 37 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.907 110.3 50.9 -65.1 -41.4 -8.0 -6.6 -5.3 440 736 A I H X S+ 0 0 29 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.932 110.9 48.7 -62.6 -44.2 -6.3 -9.3 -3.1 441 737 A E H X S+ 0 0 123 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.945 112.4 48.0 -59.4 -46.4 -3.4 -9.5 -5.5 442 738 A R H X S+ 0 0 68 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.877 108.2 56.7 -63.0 -35.9 -3.1 -5.7 -5.6 443 739 A Y H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.943 108.2 45.4 -58.9 -48.0 -3.2 -5.7 -1.8 444 740 A F H < S+ 0 0 36 -4,-2.2 7,-0.2 1,-0.2 -1,-0.2 0.804 109.7 55.8 -69.5 -29.7 -0.2 -8.0 -1.5 445 741 A E H < S+ 0 0 127 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.878 113.8 41.2 -65.4 -36.1 1.6 -6.0 -4.2 446 742 A S H < S+ 0 0 23 -4,-2.0 -2,-0.2 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