==== 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 4DSL . 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, . 579 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 414 71.5 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 . 54 9.3 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 . 28 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 40.2 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 4 1 1 3 3 0 3 1 0 0 2 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 . 1 3 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 1 298 A K 0 0 225 0, 0.0 2,-0.4 0, 0.0 147,-0.0 0.000 360.0 360.0 360.0 -38.5 -10.8 -39.0 52.5 2 299 A M - 0 0 31 1,-0.1 2,-0.1 2,-0.0 150,-0.1 -0.686 360.0-120.3 -83.7 128.3 -8.9 -35.7 52.6 3 300 A A + 0 0 66 -2,-0.4 2,-0.3 148,-0.0 -1,-0.1 -0.389 47.1 140.5 -69.8 132.1 -7.6 -34.6 56.0 4 301 A F - 0 0 59 -2,-0.1 2,-0.5 41,-0.1 43,-0.2 -0.946 48.4-114.2-166.1 156.3 -8.7 -31.2 57.4 5 302 A T E -a 47 0A 78 41,-2.8 43,-2.0 -2,-0.3 2,-0.9 -0.772 19.7-152.3 -85.8 122.8 -9.8 -29.2 60.4 6 303 A L E -a 48 0A 69 -2,-0.5 2,-0.1 41,-0.2 43,-0.1 -0.890 31.8-149.0 -93.5 108.1 -13.4 -28.0 60.3 7 304 A A - 0 0 7 41,-2.3 43,-0.4 -2,-0.9 3,-0.1 -0.455 30.7-167.0 -91.5 152.7 -12.8 -25.0 62.4 8 305 A D S S+ 0 0 130 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.596 80.4 14.6-104.2 -19.4 -15.2 -23.2 64.8 9 306 A R S S- 0 0 158 45,-0.0 2,-0.4 40,-0.0 -1,-0.3 -0.945 85.6 -93.6-154.0 165.5 -13.0 -20.1 65.3 10 307 A V - 0 0 4 -2,-0.3 2,-0.2 43,-0.2 49,-0.1 -0.689 39.8-164.8 -91.4 123.4 -10.0 -18.4 63.7 11 308 A T > - 0 0 35 -2,-0.4 3,-2.3 1,-0.1 4,-0.1 -0.717 33.9-108.1-116.9 167.2 -6.5 -19.1 65.0 12 309 A E T 3 S+ 0 0 161 1,-0.3 3,-0.5 -2,-0.2 -1,-0.1 0.612 115.5 58.0 -66.0 -11.8 -3.1 -17.5 64.7 13 310 A E T 3 S+ 0 0 91 1,-0.2 3,-0.3 2,-0.1 31,-0.3 0.420 93.5 64.7 -99.9 -0.6 -1.8 -20.4 62.5 14 311 A M S < S+ 0 0 4 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.260 94.5 67.9 -90.5 8.3 -4.5 -19.8 59.8 15 312 A L + 0 0 22 -3,-0.5 -1,-0.2 -4,-0.1 -2,-0.1 -0.220 69.0 146.5-125.6 38.9 -2.8 -16.4 59.3 16 313 A A - 0 0 20 -3,-0.3 3,-0.1 2,-0.1 -3,-0.0 -0.137 59.3-113.0 -65.1 169.6 0.5 -17.5 57.8 17 314 A D S S+ 0 0 101 1,-0.2 53,-2.1 52,-0.1 2,-0.3 0.329 102.7 42.0 -98.7 9.2 2.2 -15.4 55.2 18 315 A K E S+b 70 0A 73 51,-0.2 25,-0.5 2,-0.1 2,-0.3 -0.926 75.3 141.4-147.1 132.0 1.8 -17.9 52.3 19 316 A A E -bC 71 42A 0 51,-0.8 53,-2.2 -2,-0.3 2,-0.4 -0.956 50.0-116.7-168.4 137.3 -1.4 -19.7 51.9 20 317 A A E -bC 72 41A 0 21,-2.8 21,-1.7 -2,-0.3 2,-0.4 -0.759 40.5-161.4 -78.9 132.6 -3.9 -21.0 49.3 21 318 A L E - C 0 40A 1 51,-2.8 2,-0.4 -2,-0.4 53,-0.4 -0.935 17.7-172.5-113.2 138.8 -7.2 -19.3 49.8 22 319 A V E + C 0 39A 9 17,-2.6 17,-2.1 -2,-0.4 2,-0.8 -0.916 8.0 176.8-126.6 113.6 -10.7 -20.1 48.7 23 320 A V E - C 0 38A 7 -2,-0.4 15,-0.2 15,-0.2 59,-0.1 -0.744 33.3-147.2 -96.6 80.5 -13.5 -17.6 49.2 24 321 A E E + C 0 37A 14 13,-1.7 12,-1.5 -2,-0.8 13,-0.8 -0.298 24.3 177.3 -61.3 122.2 -16.1 -19.7 47.4 25 322 A V E - C 0 35A 6 10,-0.2 10,-0.1 11,-0.1 5,-0.1 -0.976 4.7-174.8-114.6 140.6 -18.8 -17.9 45.6 26 323 A V + 0 0 14 8,-0.6 -1,-0.1 -2,-0.4 9,-0.1 0.821 52.0 88.8-108.3 -43.2 -21.2 -20.1 43.8 27 324 A E S S- 0 0 117 7,-0.3 6,-0.1 1,-0.1 -2,-0.0 -0.331 76.4-129.6 -58.6 141.2 -23.6 -18.0 41.7 28 325 A E S S+ 0 0 171 1,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.856 102.2 60.0 -62.1 -33.6 -22.2 -17.3 38.2 29 326 A N S S- 0 0 32 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.839 72.5-172.3 -98.7 103.6 -22.9 -13.6 38.8 30 327 A Y > + 0 0 2 -2,-0.9 3,-1.6 -5,-0.1 -1,-0.1 0.701 42.6 116.2 -74.0 -22.9 -20.8 -12.7 41.8 31 328 A H T 3 S- 0 0 5 1,-0.3 51,-0.1 275,-0.2 -2,-0.1 -0.254 98.4 -10.8 -49.9 120.1 -22.0 -9.1 42.5 32 329 A D T 3 S+ 0 0 93 49,-0.3 -1,-0.3 1,-0.2 50,-0.1 0.847 103.7 149.5 58.6 41.0 -23.7 -8.9 46.0 33 330 A A < - 0 0 3 -3,-1.6 -1,-0.2 -6,-0.1 2,-0.1 -0.724 52.3 -96.6-110.3 151.7 -23.6 -12.7 46.1 34 331 A P - 0 0 77 0, 0.0 -8,-0.6 0, 0.0 2,-0.6 -0.434 25.6-140.2 -71.1 139.1 -23.4 -15.0 49.1 35 332 A I E -C 25 0A 9 -10,-0.1 -10,-0.2 1,-0.1 -11,-0.1 -0.923 17.2-167.9 -90.0 118.7 -20.0 -16.4 50.1 36 333 A V E - 0 0 35 -12,-1.5 2,-0.3 -2,-0.6 -11,-0.1 0.641 55.7 -16.6 -89.5 -17.9 -20.7 -20.0 51.1 37 334 A G E -C 24 0A 0 -13,-0.8 -13,-1.7 13,-0.1 2,-0.4 -0.922 51.6-129.8-179.2 160.2 -17.4 -21.1 52.7 38 335 A I E -CD 23 49A 0 11,-2.4 11,-2.4 -2,-0.3 2,-0.4 -0.957 15.7-169.2-123.0 135.8 -13.7 -20.4 53.2 39 336 A A E -CD 22 48A 0 -17,-2.1 -17,-2.6 -2,-0.4 2,-0.4 -0.987 3.2-175.9-122.5 135.8 -10.8 -22.7 52.8 40 337 A V E +CD 21 47A 0 7,-2.6 7,-3.2 -2,-0.4 2,-0.4 -0.983 2.9 177.7-127.7 139.0 -7.2 -22.0 53.9 41 338 A V E +CD 20 46A 5 -21,-1.7 -21,-2.8 -2,-0.4 5,-0.2 -0.987 19.8 133.2-143.2 130.5 -4.2 -24.3 53.3 42 339 A N E -C 19 0A 9 3,-2.2 -23,-0.1 -2,-0.4 3,-0.1 -0.667 69.1 -53.3-153.1-157.9 -0.7 -23.5 54.3 43 340 A E S S+ 0 0 171 -25,-0.5 3,-0.1 1,-0.2 -24,-0.1 0.803 130.8 45.8 -66.5 -26.8 2.5 -24.6 56.0 44 341 A H S S- 0 0 96 -31,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.730 117.6 -78.8 -90.7 -26.9 0.5 -25.6 59.1 45 342 A G - 0 0 25 -32,-0.1 -3,-2.2 -3,-0.1 2,-0.4 -0.998 49.8 -54.4 158.9-161.1 -2.5 -27.4 57.7 46 343 A R E + D 0 41A 90 -2,-0.3 -41,-2.8 -5,-0.2 2,-0.4 -0.981 46.9 177.6-130.3 120.6 -6.0 -27.4 56.1 47 344 A F E -aD 5 40A 7 -7,-3.2 -7,-2.6 -2,-0.4 2,-0.4 -0.944 18.6-162.4-130.7 140.7 -8.8 -25.4 57.4 48 345 A F E -aD 6 39A 2 -43,-2.0 -41,-2.3 -2,-0.4 2,-0.4 -0.983 14.2-173.4-116.8 136.0 -12.4 -24.6 56.5 49 346 A L E - D 0 38A 2 -11,-2.4 -11,-2.4 -2,-0.4 -41,-0.1 -0.972 28.1-119.7-124.4 139.4 -14.3 -21.7 58.1 50 347 A R >> - 0 0 80 -43,-0.4 4,-1.9 -2,-0.4 3,-0.6 -0.490 30.3-124.9 -65.1 147.5 -17.9 -20.7 57.8 51 348 A P H 3> S+ 0 0 8 0, 0.0 4,-3.7 0, 0.0 5,-0.2 0.961 105.7 59.9 -67.2 -41.8 -18.1 -17.2 56.3 52 349 A E H 34 S+ 0 0 140 1,-0.3 -15,-0.0 2,-0.2 -2,-0.0 0.681 113.4 37.9 -57.8 -23.4 -20.1 -15.7 59.1 53 350 A T H <4 S+ 0 0 57 -3,-0.6 3,-0.4 2,-0.1 -1,-0.3 0.764 120.1 44.1 -97.5 -33.2 -17.5 -16.6 61.7 54 351 A A H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 7,-0.3 0.850 113.5 50.1 -80.1 -37.1 -14.4 -15.9 59.6 55 352 A L T 3< S+ 0 0 37 -4,-3.7 -1,-0.2 -5,-0.2 -3,-0.1 0.269 107.7 54.5 -84.5 8.4 -15.7 -12.6 58.1 56 353 A A T 3 S+ 0 0 76 -3,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.304 88.2 97.8-115.0 3.2 -16.6 -11.2 61.5 57 354 A D X> - 0 0 26 -3,-0.9 4,-2.6 1,-0.1 3,-0.7 -0.827 64.7-151.0-107.1 115.2 -13.1 -11.8 62.9 58 355 A P H 3> S+ 0 0 96 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.656 94.9 50.3 -66.2 -15.8 -10.8 -8.8 62.9 59 356 A Q H 3> S+ 0 0 94 2,-0.2 4,-1.6 3,-0.2 5,-0.1 0.802 113.3 46.6 -85.3 -27.5 -7.6 -10.8 62.5 60 357 A F H <> S+ 0 0 0 -3,-0.7 4,-3.3 2,-0.2 5,-0.1 0.948 115.3 44.2 -71.9 -49.7 -8.9 -12.7 59.6 61 358 A V H X S+ 0 0 43 -4,-2.6 4,-1.7 -7,-0.3 -2,-0.2 0.882 114.4 50.9 -63.0 -37.0 -10.3 -9.6 57.9 62 359 A A H < S+ 0 0 63 -4,-0.9 -1,-0.2 -5,-0.3 -2,-0.2 0.874 111.8 48.3 -66.1 -33.2 -7.0 -7.9 58.7 63 360 A W H >< S+ 0 0 7 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.915 105.1 58.3 -73.1 -42.3 -5.2 -10.9 57.2 64 361 A L H 3< S+ 0 0 1 -4,-3.3 27,-2.2 1,-0.2 -2,-0.2 0.922 113.7 38.4 -46.9 -49.8 -7.4 -10.8 54.1 65 362 A G T 3< S+ 0 0 24 -4,-1.7 2,-0.7 25,-0.3 -1,-0.2 0.269 87.9 106.1 -93.7 11.2 -6.3 -7.2 53.4 66 363 A D X - 0 0 55 -3,-1.4 3,-1.6 25,-0.2 25,-0.1 -0.815 54.2-159.0 -96.6 117.9 -2.6 -7.4 54.4 67 364 A E T 3 S+ 0 0 136 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.568 88.6 61.8 -78.5 -7.5 -0.5 -7.3 51.3 68 365 A T T 3 S+ 0 0 95 1,-0.1 2,-0.9 2,-0.1 -1,-0.3 0.492 88.2 81.9 -92.2 -6.0 2.6 -8.8 53.0 69 366 A K S < S- 0 0 55 -3,-1.6 2,-0.2 -6,-0.2 -51,-0.2 -0.869 84.2-145.1 -96.5 99.0 0.4 -11.9 53.6 70 367 A K E -b 18 0A 84 -53,-2.1 -51,-0.8 -2,-0.9 2,-0.4 -0.464 17.6-170.1 -76.1 133.9 0.7 -13.7 50.3 71 368 A K E -be 19 93A 0 21,-2.3 23,-2.3 -2,-0.2 24,-1.1 -0.989 14.2-153.5-121.9 135.4 -2.3 -15.6 48.9 72 369 A S E +be 20 95A 0 -53,-2.2 -51,-2.8 -2,-0.4 2,-0.3 -0.808 31.0 166.0 -91.7 144.9 -2.6 -18.0 46.0 73 370 A M E - e 0 96A 3 22,-2.8 24,-2.8 -2,-0.3 2,-0.5 -0.916 40.0-123.5-149.5 168.4 -6.1 -18.2 44.5 74 371 A F S S- 0 0 33 -53,-0.4 5,-0.1 -2,-0.3 39,-0.1 -0.961 98.5 -8.8-119.4 116.2 -8.2 -19.3 41.6 75 372 A D S > S+ 0 0 28 -2,-0.5 4,-1.4 3,-0.1 3,-0.3 0.973 75.0 179.2 64.0 55.6 -10.2 -16.4 40.0 76 373 A S H > S+ 0 0 12 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.787 74.3 64.6 -62.4 -27.1 -9.3 -14.0 42.7 77 374 A K H > S+ 0 0 14 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.974 99.2 53.8 -61.3 -45.7 -11.2 -11.3 41.1 78 375 A R H > S+ 0 0 49 -3,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.927 113.9 43.9 -43.1 -50.8 -14.4 -13.3 41.7 79 376 A A H X S+ 0 0 3 -4,-1.4 4,-2.0 1,-0.2 5,-0.2 0.965 111.1 51.4 -64.2 -55.3 -13.4 -13.4 45.3 80 377 A A H X S+ 0 0 16 -4,-3.2 4,-3.4 1,-0.2 5,-0.2 0.905 108.4 50.9 -54.2 -48.1 -12.4 -9.8 45.6 81 378 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -49,-0.3 0.924 109.1 51.6 -58.9 -41.8 -15.6 -8.4 44.2 82 379 A A H X S+ 0 0 0 -4,-1.7 4,-0.5 -5,-0.3 -1,-0.2 0.904 113.7 44.2 -56.0 -44.5 -17.7 -10.5 46.6 83 380 A L H ><>S+ 0 0 0 -4,-2.0 5,-3.3 1,-0.2 3,-0.8 0.857 108.5 58.0 -73.9 -39.7 -15.7 -9.3 49.5 84 381 A K H ><5S+ 0 0 46 -4,-3.4 3,-1.9 -5,-0.2 -1,-0.2 0.904 102.2 54.8 -50.5 -43.7 -15.9 -5.7 48.2 85 382 A W H 3<5S+ 0 0 50 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.768 107.9 49.6 -70.4 -15.6 -19.7 -6.0 48.3 86 383 A K T <<5S- 0 0 105 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.138 125.1-102.9-100.3 13.5 -19.4 -7.0 52.0 87 384 A G T < 5S+ 0 0 72 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.882 79.9 134.0 63.2 39.7 -17.2 -4.0 52.7 88 385 A I < - 0 0 19 -5,-3.3 2,-0.2 -8,-0.2 -2,-0.2 -0.952 46.9-144.1-128.0 118.6 -14.0 -6.1 52.8 89 386 A E - 0 0 138 -2,-0.4 2,-0.4 -5,-0.1 -23,-0.1 -0.481 12.0-164.1 -64.0 134.4 -10.6 -5.5 51.1 90 387 A L + 0 0 26 -2,-0.2 -25,-0.3 -25,-0.1 2,-0.2 -0.994 22.1 152.9-117.1 127.3 -8.6 -8.4 49.8 91 388 A C + 0 0 33 -27,-2.2 -25,-0.2 -2,-0.4 3,-0.1 -0.833 37.5 57.1-139.8-174.3 -5.0 -7.9 48.9 92 389 A G + 0 0 12 -2,-0.2 -21,-2.3 1,-0.2 2,-0.7 0.766 58.3 159.8 63.2 32.5 -1.6 -9.6 48.6 93 390 A V E +e 71 0A 35 -23,-0.2 -1,-0.2 1,-0.1 -21,-0.2 -0.749 8.4 171.0 -85.1 113.9 -2.8 -12.1 46.0 94 391 A S E + 0 0 43 -23,-2.3 2,-0.3 -2,-0.7 -22,-0.2 0.558 56.7 37.4-113.4 -7.5 0.3 -13.3 44.3 95 392 A F E -e 72 0A 0 -24,-1.1 -22,-2.8 87,-0.1 2,-0.5 -0.974 55.9-169.5-143.5 131.2 -0.7 -16.2 42.2 96 393 A D E > -e 73 0A 2 -2,-0.3 4,-2.5 -24,-0.2 5,-0.3 -0.907 7.5-163.3-122.7 110.4 -3.9 -16.8 40.2 97 394 A L H > S+ 0 0 0 -24,-2.8 4,-3.1 -2,-0.5 5,-0.3 0.935 88.9 55.3 -50.8 -54.7 -4.5 -20.3 38.8 98 395 A L H > S+ 0 0 22 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.884 112.2 41.5 -45.3 -58.5 -7.2 -19.3 36.4 99 396 A L H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.864 114.4 51.0 -59.6 -40.7 -5.0 -16.7 34.7 100 397 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.894 113.5 46.4 -69.6 -35.5 -1.9 -18.8 34.7 101 398 A A H X S+ 0 0 0 -4,-3.1 4,-1.6 -5,-0.3 -2,-0.2 0.939 112.8 51.0 -61.8 -47.8 -3.9 -21.6 33.1 102 399 A Y H < S+ 0 0 9 -4,-2.7 -2,-0.2 -5,-0.3 -1,-0.2 0.857 109.3 49.0 -68.2 -36.5 -5.4 -19.2 30.7 103 400 A L H < S+ 0 0 2 -4,-2.8 370,-0.5 1,-0.2 -1,-0.3 0.879 109.2 52.7 -70.5 -33.1 -2.0 -17.9 29.7 104 401 A L H < S- 0 0 4 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.766 136.7 -8.3 -77.8 -19.0 -0.5 -21.4 29.1 105 402 A D >< - 0 0 38 -4,-1.6 3,-2.2 -5,-0.1 5,-0.3 -0.321 55.5-172.8-173.2 82.9 -3.4 -22.4 26.8 106 403 A P G > S+ 0 0 8 0, 0.0 3,-0.8 0, 0.0 -4,-0.1 0.644 87.7 68.0 -52.5 -10.9 -6.4 -20.2 26.3 107 404 A A G 3 S+ 0 0 62 1,-0.2 -5,-0.1 2,-0.1 208,-0.1 0.801 76.0 81.4 -86.3 -26.9 -7.8 -23.0 24.3 108 405 A Q G < S- 0 0 96 -3,-2.2 -1,-0.2 -7,-0.2 -6,-0.1 0.543 88.6-141.9 -53.8 -13.6 -8.2 -25.2 27.3 109 406 A G < - 0 0 58 -3,-0.8 -1,-0.1 -4,-0.2 -2,-0.1 0.680 25.0-168.6 58.4 21.7 -11.4 -23.4 28.2 110 407 A V + 0 0 18 -5,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.118 26.2 154.6 -44.5 122.9 -10.6 -23.6 32.0 111 408 A D + 0 0 126 1,-0.2 2,-0.3 202,-0.0 -1,-0.1 0.362 61.1 35.6-135.6 -5.3 -13.6 -22.7 34.2 112 409 A D S > S- 0 0 17 1,-0.1 4,-2.0 -14,-0.0 3,-0.3 -0.971 82.9-105.5-141.0 172.2 -12.8 -24.5 37.4 113 410 A V H > S+ 0 0 1 -2,-0.3 4,-2.1 1,-0.2 -1,-0.1 0.832 116.4 60.0 -57.1 -39.2 -9.9 -25.6 39.6 114 411 A A H > S+ 0 0 10 12,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.911 105.9 45.1 -57.1 -47.2 -10.3 -29.1 38.4 115 412 A A H > S+ 0 0 26 -3,-0.3 4,-1.3 1,-0.3 -2,-0.2 0.870 111.4 53.1 -70.0 -35.9 -9.6 -28.2 34.8 116 413 A A H < S+ 0 0 0 -4,-2.0 4,-0.3 1,-0.2 -1,-0.3 0.940 111.0 50.8 -56.8 -40.9 -6.8 -26.1 35.9 117 414 A A H ><>S+ 0 0 0 -4,-2.1 3,-2.4 1,-0.2 5,-1.8 0.900 98.5 59.9 -70.9 -46.1 -5.6 -29.2 37.7 118 415 A K H ><5S+ 0 0 133 -4,-2.5 3,-5.1 1,-0.3 -1,-0.2 0.892 89.6 75.1 -42.8 -45.3 -5.8 -31.8 34.8 119 416 A M T 3<5S+ 0 0 41 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.796 109.3 30.1 -47.8 -26.5 -3.3 -29.7 32.9 120 417 A K T < 5S- 0 0 50 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.142 121.4-106.7-114.5 19.4 -0.7 -31.1 35.4 121 418 A Q T < 5 + 0 0 162 -3,-5.1 2,-0.7 1,-0.2 -3,-0.3 0.889 68.2 150.4 54.8 42.0 -2.6 -34.4 35.8 122 419 A Y < + 0 0 50 -5,-1.8 -1,-0.2 -8,-0.2 -2,-0.1 -0.936 11.9 164.8-101.1 119.7 -3.8 -33.5 39.2 123 420 A E + 0 0 155 -2,-0.7 -1,-0.1 -3,-0.1 -9,-0.1 0.086 40.4 109.9-121.6 20.7 -7.1 -35.4 39.7 124 421 A A S S+ 0 0 34 28,-0.1 2,-0.3 -10,-0.1 -1,-0.1 0.030 72.9 68.2 -85.2 28.2 -7.4 -35.0 43.5 125 422 A V S S- 0 0 15 -3,-0.1 24,-0.1 -11,-0.1 25,-0.1 -0.996 74.9-124.2-145.3 150.4 -10.3 -32.6 43.0 126 423 A R - 0 0 128 -2,-0.3 -12,-0.3 23,-0.2 -13,-0.1 -0.685 29.8-107.1 -95.7 149.5 -13.9 -32.5 41.8 127 424 A P > - 0 0 60 0, 0.0 3,-0.7 0, 0.0 4,-0.3 -0.417 28.7-124.6 -60.1 143.1 -15.4 -30.4 39.0 128 425 A D T >> S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 3,-2.3 0.943 111.6 60.3 -59.1 -44.1 -17.7 -27.7 40.4 129 426 A E H 3> S+ 0 0 123 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.811 102.8 53.3 -46.4 -37.1 -20.6 -29.0 38.3 130 427 A A H <4 S+ 0 0 50 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.401 115.5 37.4 -85.9 -0.1 -20.2 -32.4 40.1 131 428 A V H <4 S+ 0 0 16 -3,-2.3 -2,-0.2 -4,-0.3 -1,-0.2 0.606 133.8 24.6-118.1 -32.1 -20.5 -30.9 43.6 132 429 A Y H < S- 0 0 6 -4,-2.7 7,-1.8 -5,-0.2 -3,-0.2 0.611 100.3-133.1-113.0 -21.9 -23.1 -28.3 42.7 133 430 A G < - 0 0 24 -4,-3.0 -3,-0.1 -5,-0.5 5,-0.1 0.076 32.2 -62.3 81.3 162.7 -24.9 -29.6 39.6 134 431 A K S > S- 0 0 150 3,-0.1 3,-2.3 4,-0.1 4,-0.4 -0.369 78.1 -44.4 -84.6 161.4 -25.8 -27.8 36.4 135 432 A G T 3 S+ 0 0 64 1,-0.3 3,-0.4 2,-0.2 0, 0.0 0.160 126.3 4.4 31.8 -97.2 -28.0 -24.8 35.6 136 433 A A T 3 S+ 0 0 105 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.302 124.7 59.4-112.8 3.7 -31.2 -25.2 37.5 137 434 A K S < S+ 0 0 189 -3,-2.3 2,-0.6 2,-0.1 -1,-0.2 0.069 81.3 134.0-101.2 17.2 -30.7 -28.3 39.7 138 435 A R + 0 0 89 -4,-0.4 2,-0.3 -3,-0.4 -5,-0.2 -0.565 25.1 154.5 -78.0 111.2 -27.7 -26.3 41.1 139 436 A A - 0 0 62 -7,-1.8 -2,-0.1 -2,-0.6 -3,-0.0 -0.942 46.6-116.6-132.0 157.4 -27.5 -26.4 44.8 140 437 A V - 0 0 61 -2,-0.3 -8,-0.1 1,-0.1 3,-0.1 -0.859 42.4-129.0 -88.2 118.8 -24.8 -26.0 47.5 141 438 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.014 35.0 -73.4 -64.9 172.4 -24.6 -29.3 49.3 142 439 A D > - 0 0 138 1,-0.1 4,-1.7 4,-0.1 3,-0.3 -0.121 60.3 -90.4 -63.4 169.4 -24.7 -29.8 53.1 143 440 A E H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.778 118.3 60.4 -62.4 -33.7 -21.6 -28.7 55.0 144 441 A P H > S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.961 112.8 36.6 -61.0 -51.1 -19.6 -32.0 55.0 145 442 A V H >> S+ 0 0 68 -3,-0.3 4,-3.2 2,-0.2 3,-0.8 0.995 118.4 51.0 -57.1 -64.3 -19.4 -32.3 51.2 146 443 A L H 3X S+ 0 0 12 -4,-1.7 4,-1.9 1,-0.3 -1,-0.2 0.818 111.2 47.8 -38.6 -52.8 -19.0 -28.5 50.7 147 444 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.3 0.856 113.8 46.4 -63.1 -41.4 -16.2 -28.3 53.2 148 445 A E H S+ 0 0 149 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.879 107.9 43.7 -63.4 -47.2 5.0 -24.3 41.4 163 460 A P H > S+ 0 0 37 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.892 113.9 51.9 -64.2 -38.0 4.6 -26.3 38.1 164 461 A F H X S+ 0 0 0 -4,-1.9 4,-4.3 2,-0.2 -2,-0.2 0.964 115.5 39.4 -63.1 -51.4 2.6 -23.5 36.4 165 462 A L H X S+ 0 0 33 -4,-2.3 4,-3.1 -5,-0.3 5,-0.2 0.931 113.2 56.8 -63.9 -47.9 5.1 -20.8 37.3 166 463 A D H X S+ 0 0 75 -4,-2.6 4,-1.7 -5,-0.3 -2,-0.2 0.944 116.1 37.5 -39.8 -54.7 7.9 -23.3 36.5 167 464 A E H X S+ 0 0 43 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.966 111.2 57.1 -69.3 -52.5 6.2 -23.6 33.1 168 465 A L H <>S+ 0 0 0 -4,-4.3 5,-2.7 1,-0.3 6,-0.4 0.883 107.0 52.0 -45.6 -47.5 5.2 -19.9 32.6 169 466 A R H ><5S+ 0 0 160 -4,-3.1 3,-3.5 4,-0.2 -1,-0.3 0.964 103.5 56.4 -46.8 -61.2 8.9 -19.1 33.1 170 467 A R H 3<5S+ 0 0 160 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.798 111.5 44.8 -45.4 -38.7 9.8 -21.7 30.3 171 468 A N T 3<5S- 0 0 22 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.183 114.9-117.1 -86.8 12.9 7.5 -19.7 27.9 172 469 A E T < 5S+ 0 0 128 -3,-3.5 4,-0.3 -5,-0.2 -3,-0.2 0.671 83.1 121.8 53.6 21.1 8.8 -16.3 29.1 173 470 A Q >< + 0 0 0 -5,-2.7 4,-1.1 -6,-0.2 -4,-0.2 0.293 36.6 93.8 -97.8 10.3 5.2 -15.7 30.3 174 471 A D H >> S+ 0 0 44 -6,-0.4 4,-3.2 2,-0.2 3,-1.2 0.981 86.1 47.2 -67.8 -56.0 6.0 -15.0 34.0 175 472 A R H 3>>S+ 0 0 160 1,-0.3 4,-2.7 2,-0.2 5,-0.7 0.861 108.9 58.3 -52.1 -34.2 6.2 -11.2 33.8 176 473 A L H 34>S+ 0 0 9 -4,-0.3 5,-1.9 3,-0.2 -1,-0.3 0.804 112.4 39.2 -70.0 -27.9 3.0 -11.3 31.7 177 474 A L H <<>S+ 0 0 0 -3,-1.2 5,-1.9 -4,-1.1 -2,-0.2 0.891 126.5 33.7 -81.4 -48.3 1.2 -13.0 34.7 178 475 A V H <5S+ 0 0 75 -4,-3.2 -3,-0.2 1,-0.1 -2,-0.2 0.925 128.2 34.3 -78.2 -42.9 2.8 -11.0 37.5 179 476 A E T <5S+ 0 0 106 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.1 0.718 132.5 17.9 -87.6 -19.3 3.3 -7.6 35.9 180 477 A L T >> S+ 0 0 45 0, 0.0 4,-1.6 0, 0.0 3,-0.3 0.881 114.7 51.6 -49.6 -33.5 -2.4 -6.4 38.5 184 481 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.3 -2,-0.2 0.848 98.9 63.3 -72.6 -34.9 -5.1 -5.9 35.9 185 482 A S H - 0 0 58 143,-2.2 4,-1.9 -2,-0.4 5,-0.1 -0.728 28.2-177.1 -86.0 93.0 -30.8 6.9 33.5 200 497 A T H > S+ 0 0 17 -2,-1.4 4,-2.4 1,-0.2 5,-0.2 0.883 80.0 53.3 -63.9 -33.0 -33.6 4.4 34.0 201 498 A K H > S+ 0 0 141 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.971 106.2 49.5 -60.8 -55.6 -36.1 7.1 33.1 202 499 A R H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 115.8 49.7 -49.3 -35.1 -34.5 8.0 29.8 203 500 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.834 106.0 49.6 -79.8 -40.0 -34.6 4.2 29.3 204 501 A E H X S+ 0 0 95 -4,-2.4 4,-0.5 -3,-0.2 -1,-0.2 0.694 111.5 53.1 -70.8 -19.4 -38.2 3.5 30.0 205 502 A Q H >X S+ 0 0 123 -4,-1.7 4,-1.7 2,-0.2 3,-1.1 0.942 111.7 41.0 -84.0 -51.4 -39.2 6.3 27.7 206 503 A M H >X S+ 0 0 9 -4,-2.1 4,-2.8 1,-0.3 3,-1.6 0.991 110.6 63.1 -48.5 -59.0 -37.2 5.0 24.7 207 504 A G H 3X S+ 0 0 8 -4,-2.7 4,-0.5 1,-0.3 -1,-0.3 0.732 110.3 37.0 -25.5 -41.4 -38.5 1.7 26.0 208 505 A K H X S+ 0 0 93 -4,-1.3 4,-2.9 2,-0.2 3,-0.8 0.993 113.4 51.4 -69.4 -57.2 -49.6 -4.2 12.1 220 517 A R H 3X S+ 0 0 84 -4,-2.3 4,-2.9 1,-0.3 5,-0.2 0.887 107.5 53.6 -42.0 -54.2 -48.3 -2.9 8.7 221 518 A I H 3X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -1,-0.3 0.895 113.3 43.8 -51.1 -42.6 -46.3 -6.1 8.2 222 519 A Y H S+ 0 0 24 -4,-1.4 4,-1.7 -3,-0.8 5,-1.3 0.969 110.0 54.8 -64.0 -56.2 -49.5 -8.1 8.8 223 520 A E H ><5S+ 0 0 134 -4,-2.9 3,-0.7 1,-0.2 -2,-0.2 0.916 114.5 42.3 -36.7 -58.5 -51.5 -5.8 6.6 224 521 A L H 3<5S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.875 115.9 45.0 -61.9 -47.8 -49.0 -6.4 3.8 225 522 A A H 3<5S- 0 0 3 -4,-2.4 -1,-0.2 2,-0.3 -2,-0.2 0.579 101.2-130.1 -75.4 -9.8 -48.5 -10.2 4.2 226 523 A G T <<5S+ 0 0 58 -4,-1.7 2,-0.3 -3,-0.7 -3,-0.2 0.719 79.5 79.9 65.4 26.4 -52.4 -10.7 4.6 227 524 A Q S - 0 0 79 -2,-0.3 3,-3.3 1,-0.2 7,-0.3 -0.476 36.7-172.5 -78.0 87.1 -44.3 -14.8 14.4 231 528 A I T 3 S+ 0 0 7 -2,-2.1 -1,-0.2 1,-0.3 6,-0.0 0.678 83.7 61.3 -47.1 -21.7 -42.1 -12.2 12.7 232 529 A N T 3 S+ 0 0 113 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.510 83.1 95.2 -88.4 -4.5 -39.3 -13.4 15.2 233 530 A S <> - 0 0 25 -3,-3.3 4,-2.0 1,-0.1 5,-0.3 -0.782 62.9-157.2 -90.2 105.5 -39.4 -16.9 13.8 234 531 A P T 4 S+ 0 0 94 0, 0.0 23,-0.1 0, 0.0 -1,-0.1 0.374 95.8 53.5 -59.9 10.3 -36.7 -17.5 11.1 235 532 A K T > S+ 0 0 149 -5,-0.2 4,-0.6 2,-0.1 22,-0.1 0.795 106.8 40.1-110.8 -55.8 -39.1 -20.3 10.1 236 533 A Q H > S+ 0 0 84 -6,-0.3 4,-1.9 1,-0.2 3,-0.2 0.797 112.6 60.1 -66.1 -31.6 -42.6 -18.8 9.6 237 534 A L H X S+ 0 0 0 -4,-2.0 4,-4.1 -7,-0.3 -1,-0.2 0.930 102.3 49.7 -59.3 -52.3 -41.0 -15.7 7.9 238 535 A G H > S+ 0 0 5 -5,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.622 108.2 55.3 -64.6 -18.2 -39.4 -17.8 5.1 239 536 A V H X>S+ 0 0 62 -4,-0.6 5,-2.2 -3,-0.2 4,-1.0 0.886 115.6 38.5 -73.1 -45.0 -42.9 -19.4 4.6 240 537 A I H <>S+ 0 0 2 -4,-1.9 5,-1.4 3,-0.2 -2,-0.2 0.925 122.9 41.1 -71.2 -48.3 -44.2 -15.9 4.2 241 538 A L H <5S+ 0 0 0 -4,-4.1 6,-2.0 1,-0.2 -3,-0.2 0.967 131.2 21.2 -64.3 -54.6 -41.2 -14.5 2.2 242 539 A F H <5S+ 0 0 17 -4,-1.0 -1,-0.2 4,-0.2 -2,-0.2 0.342 132.3 34.5-105.1 6.7 -40.5 -17.4 -0.1 243 540 A E T <5S+ 0 0 107 -4,-1.0 -3,-0.2 3,-0.1 3,-0.1 0.668 121.5 31.6-121.4 -65.3 -43.7 -19.3 -0.1 244 541 A K T -I 256 0C 76 3,-3.5 3,-0.9 -2,-0.3 -2,-0.0 -0.940 42.9 -95.3-132.0 157.4 -29.0 -22.1 5.7 254 551 A K T 3 S+ 0 0 217 -2,-0.3 3,-0.0 1,-0.3 -1,-0.0 0.797 124.3 42.9 -43.2 -47.2 -28.9 -25.7 6.8 255 552 A T T 3 S- 0 0 114 1,-0.1 -1,-0.3 -3,-0.0 2,-0.2 0.839 128.9 -68.8 -66.0 -40.9 -32.5 -25.6 8.4 256 553 A G E < S+I 253 0C 27 -3,-0.9 -3,-3.5 -22,-0.0 2,-0.4 -0.760 87.0 3.8-176.5-134.7 -34.1 -23.7 5.5 257 554 A Y E -I 252 0C 89 -5,-0.2 -5,-0.3 -2,-0.2 2,-0.2 -0.688 65.6-117.3 -89.6 130.6 -34.1 -20.3 3.8 258 555 A S + 0 0 10 -7,-1.7 -7,-0.3 -2,-0.4 -8,-0.2 -0.430 29.7 176.6 -66.2 129.2 -31.8 -17.4 4.9 259 556 A T + 0 0 14 -2,-0.2 -1,-0.1 4,-0.0 -7,-0.0 -0.092 29.4 141.6-122.6 32.3 -33.6 -14.3 6.2 260 557 A S >> - 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