==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 03-JUL-13 4BWJ . COMPND 2 MOLECULE: DNA POLYMERASE I, THERMOSTABLE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS AQUATICUS; . AUTHOR N.BLATTER,K.BERGEN,W.WELTE,K.DIEDERICHS,A.MARX . 539 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24491.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 17 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 235 43.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 0 2 1 1 3 2 3 0 0 0 3 1 0 1 2 0 0 0 0 0 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 1 2 2 0 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 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 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 1 294 A L 0 0 120 0, 0.0 2,-0.3 0, 0.0 37,-0.2 0.000 360.0 360.0 360.0 149.1 47.4 -58.4 -17.7 2 295 A E E -a 38 0A 122 35,-2.8 37,-2.5 1,-0.1 2,-0.4 -0.565 360.0-125.7 -71.4 129.7 50.0 -59.2 -20.4 3 296 A E E +a 39 0A 107 -2,-0.3 37,-0.2 35,-0.2 -1,-0.1 -0.657 38.3 173.8 -79.4 131.1 52.6 -56.5 -20.7 4 297 A A E -a 40 0A 15 35,-2.5 37,-0.6 -2,-0.4 34,-0.0 -0.964 33.5 -90.8-137.2 153.3 52.9 -55.2 -24.3 5 298 A P - 0 0 111 0, 0.0 37,-0.1 0, 0.0 35,-0.0 -0.253 58.1 -75.1 -61.9 149.4 54.8 -52.4 -26.0 6 299 A W S S+ 0 0 36 35,-0.5 35,-0.1 2,-0.0 36,-0.0 -0.548 96.0 65.8 -67.5 145.0 53.3 -49.0 -26.5 7 300 A P - 0 0 78 0, 0.0 34,-0.1 0, 0.0 45,-0.0 0.522 68.7-148.2 -90.2 161.9 51.2 -48.0 -28.4 8 301 A P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 26,-0.0 -0.433 28.4 -96.7 -78.3 161.1 47.8 -49.7 -27.6 9 302 A P > - 0 0 71 0, 0.0 3,-1.2 0, 0.0 25,-0.0 -0.293 56.0 -78.1 -66.8 165.5 45.2 -50.5 -30.2 10 303 A E T 3 S+ 0 0 135 1,-0.2 42,-0.1 42,-0.1 0, 0.0 -0.324 116.7 36.1 -61.3 146.3 42.4 -48.0 -30.8 11 304 A G T 3 S+ 0 0 28 1,-0.3 -1,-0.2 43,-0.1 41,-0.0 0.381 82.7 143.9 93.5 -2.2 39.6 -48.1 -28.2 12 305 A A < - 0 0 10 -3,-1.2 2,-0.4 1,-0.1 44,-0.3 -0.252 53.8-111.6 -68.1 155.7 41.9 -48.8 -25.3 13 306 A F E -B 34 0A 15 21,-2.7 21,-2.6 42,-0.1 2,-0.2 -0.771 32.7-137.7 -88.8 138.1 41.3 -47.4 -21.8 14 307 A V E -B 33 0A 2 42,-2.9 2,-0.3 -2,-0.4 44,-0.3 -0.597 16.8-170.8 -99.0 146.7 43.8 -44.8 -20.7 15 308 A G E +B 32 0A 2 17,-2.6 17,-2.6 -2,-0.2 2,-0.3 -0.981 15.6 171.1-128.2 149.0 45.4 -44.3 -17.3 16 309 A F E -B 31 0A 8 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.995 24.2-144.5-158.1 151.7 47.5 -41.3 -16.4 17 310 A V E -B 30 0A 12 13,-2.2 12,-2.2 -2,-0.3 13,-1.2 -0.990 15.0-162.0-126.4 128.9 49.2 -39.6 -13.5 18 311 A L E -B 28 0A 31 -2,-0.4 10,-0.2 10,-0.2 3,-0.1 -0.793 24.5-131.7-106.0 150.4 49.4 -35.8 -13.0 19 312 A S S S+ 0 0 62 8,-2.2 2,-0.3 -2,-0.3 9,-0.1 0.717 94.3 8.3 -70.1 -22.9 51.8 -33.9 -10.8 20 313 A R S S- 0 0 108 7,-0.2 -1,-0.1 2,-0.1 6,-0.1 -0.961 83.4-104.3-154.3 165.2 48.9 -31.8 -9.5 21 314 A K S S+ 0 0 125 -2,-0.3 5,-0.1 -3,-0.1 -2,-0.0 0.745 94.6 84.3 -71.1 -25.0 45.1 -31.9 -9.8 22 315 A E >> - 0 0 29 1,-0.2 3,-1.5 2,-0.0 4,-1.3 -0.683 64.7-157.0 -84.5 114.0 44.7 -29.0 -12.3 23 316 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.807 91.6 57.4 -64.2 -28.7 45.3 -30.3 -15.8 24 317 A M T 34 S+ 0 0 6 1,-0.2 -2,-0.0 244,-0.1 245,-0.0 0.753 118.7 33.3 -71.8 -17.4 46.2 -26.9 -17.2 25 318 A W T <4 S+ 0 0 69 -3,-1.5 -1,-0.2 -5,-0.1 2,-0.1 0.513 98.6 108.4-111.0 -8.1 49.1 -26.7 -14.6 26 319 A A < - 0 0 2 -4,-1.3 2,-0.4 -6,-0.1 -5,-0.0 -0.378 61.1-135.7 -84.3 147.2 50.1 -30.4 -14.4 27 320 A D - 0 0 76 -2,-0.1 -8,-2.2 0, 0.0 2,-0.9 -0.833 28.1-125.8 -86.1 132.4 53.1 -32.3 -15.5 28 321 A L E +B 18 0A 4 -2,-0.4 -10,-0.2 -10,-0.2 18,-0.2 -0.763 33.0 178.8 -81.2 104.1 52.0 -35.5 -17.1 29 322 A L E - 0 0 93 -12,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.848 59.9 -2.9 -82.0 -36.7 54.1 -38.0 -15.1 30 323 A A E -B 17 0A 32 -13,-1.2 -13,-2.2 14,-0.1 2,-0.3 -0.993 55.5-164.4-157.2 154.9 53.0 -41.2 -16.7 31 324 A L E +B 16 0A 2 11,-0.3 11,-2.5 -2,-0.3 2,-0.3 -0.998 14.9 162.8-144.6 139.7 50.6 -42.6 -19.2 32 325 A A E -BC 15 41A 0 -17,-2.6 -17,-2.6 -2,-0.3 2,-0.3 -0.939 17.0-152.2-150.5 167.7 49.3 -46.1 -19.9 33 326 A A E -BC 14 40A 1 7,-2.1 7,-3.0 -2,-0.3 2,-0.4 -0.995 5.4-157.7-146.9 150.9 46.5 -47.9 -21.8 34 327 A A E +BC 13 39A 0 -21,-2.6 -21,-2.7 -2,-0.3 2,-0.3 -0.995 24.5 132.0-138.0 138.6 44.6 -51.2 -21.4 35 328 A R E > + C 0 38A 108 3,-1.9 3,-2.4 -2,-0.4 -23,-0.1 -0.936 60.8 18.5-170.1 152.1 42.6 -53.5 -23.6 36 329 A G T 3 S- 0 0 55 1,-0.3 3,-0.1 -2,-0.3 -24,-0.0 0.712 128.3 -53.0 61.0 24.2 42.2 -57.1 -24.7 37 330 A G T 3 S+ 0 0 39 1,-0.3 -35,-2.8 -36,-0.1 2,-0.3 0.567 117.7 107.0 86.6 10.5 44.0 -58.5 -21.6 38 331 A R E < -aC 2 35A 114 -3,-2.4 -3,-1.9 -37,-0.2 2,-0.4 -0.869 53.6-154.7-121.5 152.5 47.0 -56.3 -22.2 39 332 A V E -aC 3 34A 8 -37,-2.5 -35,-2.5 -2,-0.3 2,-0.5 -0.991 9.1-163.0-123.4 137.2 48.5 -53.3 -20.6 40 333 A H E -aC 4 33A 9 -7,-3.0 -7,-2.1 -2,-0.4 2,-0.4 -0.979 3.1-160.2-121.3 121.3 50.8 -50.8 -22.5 41 334 A R E - C 0 32A 93 -37,-0.6 -35,-0.5 -2,-0.5 -9,-0.2 -0.861 19.9-125.7-104.9 131.7 53.0 -48.3 -20.6 42 335 A A - 0 0 17 -11,-2.5 -11,-0.3 -2,-0.4 4,-0.1 -0.652 7.1-151.9 -75.6 125.6 54.3 -45.3 -22.4 43 336 A P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.920 94.4 17.5 -58.4 -47.3 58.2 -44.9 -22.3 44 337 A E S > S- 0 0 88 1,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.967 78.0-153.8-129.1 116.0 57.8 -41.1 -22.5 45 338 A P H > S+ 0 0 18 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.832 88.0 49.3 -66.0 -38.2 54.3 -39.8 -21.7 46 339 A Y H > S+ 0 0 51 2,-0.2 4,-0.6 1,-0.2 3,-0.2 0.926 114.9 45.0 -67.8 -42.8 54.1 -36.5 -23.7 47 340 A K H >4 S+ 0 0 154 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.932 112.0 53.6 -59.9 -46.3 55.4 -38.2 -26.9 48 341 A A H >< S+ 0 0 3 -4,-2.3 3,-2.1 1,-0.3 4,-0.4 0.777 92.0 72.9 -64.1 -26.7 53.0 -41.1 -26.4 49 342 A L H >< S+ 0 0 2 -4,-1.4 3,-1.2 1,-0.3 -1,-0.3 0.842 87.1 65.1 -57.2 -34.0 50.0 -38.8 -26.0 50 343 A R T << S+ 0 0 125 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.704 92.9 62.4 -61.9 -18.6 50.2 -38.2 -29.8 51 344 A D T < S+ 0 0 85 -3,-2.1 2,-0.3 -4,-0.2 -1,-0.2 0.649 85.6 89.0 -84.1 -17.3 49.3 -41.9 -30.4 52 345 A L < - 0 0 25 -3,-1.2 3,-0.1 -4,-0.4 -42,-0.1 -0.602 50.4-171.6 -85.7 141.4 45.9 -41.8 -28.8 53 346 A K S S+ 0 0 146 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.655 76.1 16.8 -99.5 -20.6 42.7 -40.9 -30.7 54 347 A E - 0 0 85 20,-0.2 2,-0.8 -42,-0.1 -1,-0.3 -0.990 69.2-127.0-148.9 147.0 40.4 -40.7 -27.7 55 348 A A B +d 76 0B 0 20,-2.6 22,-3.2 -2,-0.3 2,-0.5 -0.880 37.6 173.2 -94.7 107.9 40.7 -40.4 -23.9 56 349 A R + 0 0 39 -2,-0.8 -42,-2.9 -44,-0.3 2,-0.3 -0.969 36.8 43.8-121.1 116.8 38.6 -43.2 -22.6 57 350 A G S > S- 0 0 0 21,-2.6 3,-1.5 -2,-0.5 24,-0.2 -0.920 93.2 -9.3 146.3-175.1 38.7 -43.9 -18.9 58 351 A L T 3 S+ 0 0 3 -44,-0.3 -42,-0.1 54,-0.3 58,-0.1 -0.345 128.7 0.9 -57.6 132.1 38.6 -42.3 -15.4 59 352 A L T >> S+ 0 0 43 1,-0.1 4,-1.4 3,-0.1 3,-0.8 0.815 80.0 162.8 59.6 35.0 38.9 -38.5 -15.5 60 353 A A H <> + 0 0 1 -3,-1.5 4,-2.2 1,-0.2 5,-0.2 0.867 67.5 59.3 -51.1 -44.1 39.1 -38.6 -19.3 61 354 A K H 3> S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.884 101.0 55.5 -56.6 -38.6 38.2 -34.8 -19.5 62 355 A D H <> S+ 0 0 12 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.921 109.1 45.8 -63.1 -43.0 41.3 -33.9 -17.4 63 356 A L H X S+ 0 0 0 -4,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.903 110.5 54.8 -66.4 -37.2 43.6 -35.7 -19.8 64 357 A S H X S+ 0 0 3 -4,-2.2 4,-2.8 2,-0.2 10,-0.3 0.889 106.6 51.7 -61.3 -40.6 41.8 -34.1 -22.8 65 358 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.941 110.0 47.6 -61.1 -47.1 42.5 -30.7 -21.3 66 359 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.928 111.5 51.6 -63.3 -39.6 46.1 -31.4 -20.9 67 360 A A H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 3,-0.3 0.930 109.6 48.9 -60.5 -46.2 46.2 -32.7 -24.5 68 361 A L H ><5S+ 0 0 40 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.894 105.9 57.5 -60.1 -39.2 44.5 -29.5 -25.8 69 362 A R H 3<5S+ 0 0 49 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.862 107.7 49.0 -57.1 -34.7 47.1 -27.4 -23.8 70 363 A E T 3<5S- 0 0 55 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.325 126.1-102.3 -90.1 6.0 49.7 -29.2 -25.8 71 364 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.4 1,-0.3 -3,-0.2 0.619 79.4 130.5 87.5 15.9 48.0 -28.6 -29.1 72 365 A L < - 0 0 34 -5,-2.7 2,-1.1 -6,-0.2 -1,-0.3 -0.826 56.6-136.3-107.4 139.6 46.5 -32.0 -29.6 73 366 A G + 0 0 70 -2,-0.4 -9,-0.0 -23,-0.1 -5,-0.0 -0.792 42.7 151.0 -92.2 97.0 42.9 -32.9 -30.4 74 367 A L - 0 0 3 -2,-1.1 -20,-0.2 -10,-0.3 -6,-0.2 -0.831 29.8-157.8-127.8 86.0 42.2 -35.8 -28.0 75 368 A P - 0 0 67 0, 0.0 -20,-2.6 0, 0.0 2,-0.2 -0.386 17.4-117.0 -71.6 147.0 38.5 -35.8 -27.2 76 369 A P B +d 55 0B 11 0, 0.0 -20,-0.2 0, 0.0 70,-0.2 -0.561 39.3 167.2 -78.2 143.0 37.2 -37.5 -24.0 77 370 A G + 0 0 4 -22,-3.2 -16,-0.1 1,-0.5 -21,-0.1 -0.045 49.2 11.1-121.1-128.0 34.9 -40.4 -24.4 78 371 A D + 0 0 15 -2,-0.1 -21,-2.6 -22,-0.1 -1,-0.5 -0.225 59.7 178.4 -57.0 141.7 33.7 -43.0 -22.0 79 372 A D >> - 0 0 11 -23,-0.2 3,-1.5 -3,-0.1 4,-1.2 -0.910 26.5-149.6-147.4 113.0 34.5 -42.2 -18.4 80 373 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.763 95.8 68.6 -53.9 -27.6 33.3 -44.6 -15.6 81 374 A M H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.865 99.1 49.6 -58.8 -37.6 33.1 -41.6 -13.3 82 375 A L H <> S+ 0 0 3 -3,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.869 109.7 49.9 -70.3 -38.8 30.1 -40.3 -15.3 83 376 A L H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.929 114.0 45.9 -60.5 -47.7 28.3 -43.6 -15.2 84 377 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 7,-0.3 0.916 109.4 54.1 -62.8 -45.3 28.8 -43.8 -11.4 85 378 A Y H < S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 108.9 49.7 -58.0 -37.3 27.7 -40.2 -10.9 86 379 A L H < S+ 0 0 1 -4,-1.7 348,-0.5 1,-0.2 -1,-0.2 0.864 108.7 51.3 -70.1 -38.1 24.5 -40.9 -12.8 87 380 A L H < S- 0 0 22 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.889 139.2 -9.4 -63.0 -37.0 23.8 -44.0 -10.7 88 381 A D >< - 0 0 17 -4,-2.2 3,-2.4 -5,-0.1 -1,-0.3 -0.820 60.5-145.8-165.6 112.7 24.3 -41.9 -7.5 89 382 A P T 3 S+ 0 0 6 0, 0.0 -4,-0.1 0, 0.0 190,-0.1 0.518 94.1 77.9 -74.5 2.8 25.7 -38.4 -7.4 90 383 A S T 3 S+ 0 0 80 -6,-0.1 2,-1.4 1,-0.1 3,-0.2 0.577 72.1 94.1 -75.0 -10.6 27.4 -39.0 -4.1 91 384 A N < + 0 0 9 -3,-2.4 -3,-0.1 -7,-0.3 -1,-0.1 -0.680 46.5 136.2 -78.5 92.5 29.9 -40.8 -6.4 92 385 A T + 0 0 58 -2,-1.4 -1,-0.2 183,-0.1 182,-0.2 0.561 49.7 55.6-120.2 -12.8 32.3 -37.8 -6.8 93 386 A T > - 0 0 58 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.922 69.8-131.5-126.6 150.6 35.8 -39.2 -6.4 94 387 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.869 109.1 58.4 -70.6 -31.6 37.8 -41.9 -8.2 95 388 A E H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.2 10,-0.2 0.929 112.4 39.2 -54.3 -50.7 38.9 -43.3 -4.8 96 389 A G H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 115.7 50.4 -72.3 -41.1 35.3 -43.8 -3.8 97 390 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.918 110.3 50.3 -64.7 -44.5 34.0 -45.0 -7.2 98 391 A A H X>S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 5,-1.9 0.961 112.0 47.7 -58.6 -48.7 36.8 -47.6 -7.5 99 392 A R H <5S+ 0 0 154 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.890 116.2 44.2 -58.3 -40.2 36.1 -48.9 -4.0 100 393 A R H <5S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 123.0 32.8 -75.4 -34.3 32.3 -49.2 -4.7 101 394 A Y H <5S- 0 0 8 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.405 129.4 -57.0-117.5 3.8 32.5 -50.7 -8.2 102 395 A G T <5S+ 0 0 36 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.779 92.4 20.4 130.1 53.4 35.5 -52.9 -8.3 103 396 A G < - 0 0 23 -5,-1.9 2,-0.4 -8,-0.1 -1,-0.3 -0.996 68.7 -76.3 168.0-161.4 39.1 -51.8 -7.5 104 397 A E - 0 0 123 -2,-0.3 2,-0.8 7,-0.1 11,-0.1 -0.998 28.4-132.1-134.7 131.7 41.5 -49.4 -5.9 105 398 A W + 0 0 33 -2,-0.4 2,-0.1 -10,-0.2 7,-0.1 -0.772 41.1 170.8 -82.8 107.9 42.6 -46.0 -7.2 106 399 A T - 0 0 29 -2,-0.8 -11,-0.0 2,-0.2 -1,-0.0 -0.350 45.0-105.9-108.2-169.9 46.4 -46.1 -6.9 107 400 A E S S+ 0 0 140 -2,-0.1 2,-0.4 -90,-0.1 -2,-0.1 0.025 85.6 97.5-111.4 23.7 49.2 -43.8 -8.2 108 401 A E > - 0 0 56 1,-0.1 4,-2.3 -92,-0.1 -2,-0.2 -0.961 65.7-143.2-119.2 132.1 50.4 -45.9 -11.1 109 402 A A H > S+ 0 0 2 -2,-0.4 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40.2 2.4 18.4 184 477 A L H <5S+ 0 0 31 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.862 111.0 52.5 -69.2 -34.6 36.7 1.5 19.3 185 478 A A H <5S- 0 0 12 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.725 106.2-129.7 -71.5 -20.1 37.6 -1.9 20.8 186 479 A G T <5S+ 0 0 66 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.473 81.2 39.9 84.1 2.5 40.1 -0.1 23.0 187 480 A H S - 0 0 79 -2,-0.3 3,-1.9 1,-0.2 7,-0.3 -0.728 39.3-168.3 -83.1 100.4 43.0 -10.1 14.9 191 484 A L T 3 S+ 0 0 7 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.696 84.7 62.8 -63.5 -19.8 39.9 -8.8 13.2 192 485 A N T 3 S+ 0 0 107 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.577 85.2 88.4 -79.0 -10.0 40.0 -11.8 10.9 193 486 A S <> - 0 0 28 -3,-1.9 4,-2.5 1,-0.2 3,-0.2 -0.816 61.6-164.3 -93.2 110.4 39.5 -14.1 13.8 194 487 A R H > S+ 0 0 69 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.840 90.9 56.1 -63.7 -28.6 35.8 -14.6 14.4 195 488 A D H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.900 109.7 44.3 -66.6 -41.4 36.7 -16.0 17.9 196 489 A Q H > S+ 0 0 60 -3,-0.2 4,-1.8 -6,-0.2 -2,-0.2 0.909 114.1 49.9 -71.1 -38.1 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-2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.838 112.3 57.1 -53.4 -35.3 8.9 -16.5 8.8 383 676 A H H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.952 108.4 42.7 -66.2 -50.7 11.5 -15.3 11.3 384 677 A R H > S+ 0 0 127 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 113.1 54.1 -62.2 -40.5 14.3 -15.0 8.8 385 678 A L H < S+ 0 0 0 -4,-2.5 4,-0.4 1,-0.3 6,-0.3 0.906 108.6 48.7 -62.5 -41.4 12.0 -13.4 6.2 386 679 A S H X>S+ 0 0 11 -4,-2.2 5,-1.0 -5,-0.2 4,-0.7 0.827 110.7 54.9 -64.6 -29.2 11.0 -10.8 8.8 387 680 A Q H ><5S+ 0 0 89 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.971 109.2 39.5 -74.3 -54.9 14.7 -10.2 9.5 388 681 A E T 3<5S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 0.383 120.4 47.9 -81.7 7.8 16.2 -9.4 6.1 389 682 A L T 345S- 0 0 29 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.422 99.4-134.9-116.9 -9.0 13.1 -7.4 5.2 390 683 A A T <<5 + 0 0 96 -3,-0.8 -3,-0.2 -4,-0.7 -4,-0.1 0.762 62.8 127.9 60.5 27.6 13.0 -5.4 8.5 391 684 A I < - 0 0 39 -5,-1.0 -1,-0.2 -6,-0.3 -2,-0.2 -0.686 68.4 -77.5-110.1 162.6 9.2 -6.0 8.6 392 685 A P > - 0 0 68 0, 0.0 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735 A A < - 0 0 18 -3,-1.5 6,-0.1 1,-0.1 -3,-0.0 -0.290 51.8-138.7 -59.7 146.7 14.7 -39.4 10.5 443 736 A R S S+ 0 0 232 5,-0.0 2,-0.7 4,-0.0 -1,-0.1 0.454 82.7 87.3 -93.1 -4.1 13.1 -39.1 13.9 444 737 A V S > S- 0 0 89 1,-0.2 4,-2.6 2,-0.0 3,-0.3 -0.898 74.9-146.6 -95.8 115.8 14.8 -35.8 14.7 445 738 A K H > S+ 0 0 133 -2,-0.7 4,-3.1 1,-0.2 5,-0.3 0.870 92.6 50.5 -53.3 -47.9 12.6 -33.2 13.3 446 739 A S H > S+ 0 0 88 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 114.4 45.4 -62.3 -40.2 15.2 -30.6 12.3 447 740 A V H > S+ 0 0 58 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.899 114.7 47.6 -65.3 -48.3 17.2 -33.3 10.5 448 741 A R H X S+ 0 0 70 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.923 113.1 48.2 -58.5 -47.1 14.2 -34.7 8.8 449 742 A E H X S+ 0 0 75 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.874 108.9 52.7 -69.4 -34.8 12.9 -31.3 7.7 450 743 A A H X S+ 0 0 28 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.913 109.1 51.1 -63.2 -39.4 16.3 -30.3 6.4 451 744 A A H X S+ 0 0 3 -4,-2.0 4,-2.5 -12,-0.2 -2,-0.2 0.888 106.8 54.1 -65.3 -37.4 16.3 -33.5 4.3 452 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