==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 15-NOV-10 2XY6 . COMPND 2 MOLECULE: DNA POLYMERASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR C.KAUL,M.MUELLER,M.WAGNER,S.SCHNEIDER,T.CARELL . 581 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 71.6 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 . 29 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.6 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 . 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 2 1 3 2 3 2 2 0 0 0 3 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 . 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 T 0 0 204 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -11.2 12.3 42.9 47.7 2 297 A A - 0 0 72 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.348 360.0 -20.1-138.2-161.5 12.3 40.4 50.4 3 298 A K - 0 0 76 1,-0.1 2,-0.2 -2,-0.1 -1,-0.2 0.263 35.7-142.7 -51.7 127.6 11.7 37.5 52.8 4 299 A M - 0 0 31 1,-0.1 2,-0.3 146,-0.1 -1,-0.1 -0.501 39.6 -99.2 -74.2 146.3 8.7 35.2 52.7 5 300 A A + 0 0 72 -2,-0.2 2,-0.3 148,-0.1 43,-0.1 -0.540 58.6 146.5 -78.9 128.6 7.6 34.2 56.2 6 301 A F - 0 0 56 -2,-0.3 2,-0.7 41,-0.1 43,-0.2 -0.990 47.7-113.9-159.6 155.2 8.8 30.8 57.5 7 302 A T E -a 49 0A 79 41,-2.5 43,-2.3 -2,-0.3 2,-1.7 -0.787 18.3-152.7 -93.2 113.9 9.9 28.9 60.5 8 303 A L E -a 50 0A 68 -2,-0.7 43,-0.1 41,-0.2 41,-0.1 -0.678 32.0-150.8 -83.9 83.0 13.5 27.8 60.3 9 304 A A - 0 0 9 -2,-1.7 43,-0.4 41,-1.3 3,-0.1 -0.245 26.5-163.6 -71.0 145.8 12.7 24.8 62.5 10 305 A D S S+ 0 0 128 1,-0.2 2,-0.3 41,-0.1 -1,-0.1 0.617 81.6 12.3 -98.2 -21.3 15.4 23.2 64.8 11 306 A R S S- 0 0 60 44,-0.0 2,-0.4 48,-0.0 -1,-0.2 -0.933 89.9 -90.9-147.0 169.8 13.3 20.1 65.3 12 307 A V - 0 0 18 -2,-0.3 2,-0.2 -3,-0.1 49,-0.1 -0.712 39.8-166.7 -89.8 129.3 10.3 18.4 63.6 13 308 A T > - 0 0 66 -2,-0.4 3,-1.0 1,-0.1 4,-0.1 -0.675 33.3-110.1-112.5 169.1 6.8 19.1 65.0 14 309 A E G > S+ 0 0 135 1,-0.2 3,-1.8 -2,-0.2 -1,-0.1 0.788 113.7 61.8 -65.0 -30.2 3.4 17.5 64.5 15 310 A E G > S+ 0 0 92 1,-0.3 3,-0.6 2,-0.1 31,-0.3 0.684 96.1 62.6 -78.4 -12.2 2.0 20.5 62.6 16 311 A M G < S+ 0 0 4 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.483 96.6 63.3 -78.0 -6.1 4.7 19.8 59.9 17 312 A L G < + 0 0 13 -3,-1.8 -1,-0.2 -4,-0.1 -2,-0.1 -0.090 68.7 145.6-120.5 33.2 3.0 16.4 59.4 18 313 A A < - 0 0 13 -3,-0.6 -3,-0.0 2,-0.1 3,-0.0 -0.108 60.5-111.8 -59.3 165.2 -0.4 17.4 58.1 19 314 A D S S+ 0 0 90 52,-0.1 53,-2.4 1,-0.1 2,-0.3 0.278 102.7 47.7 -96.3 15.0 -2.0 15.0 55.5 20 315 A K E S+b 72 0A 62 51,-0.2 25,-0.4 2,-0.1 2,-0.3 -0.937 74.8 143.1-147.6 126.9 -1.7 17.5 52.7 21 316 A A E -b 73 0A 0 51,-1.9 53,-2.5 -2,-0.3 2,-0.5 -0.982 49.8-120.0-161.1 152.5 1.4 19.4 52.0 22 317 A A E -bC 74 43A 0 21,-3.1 21,-2.4 -2,-0.3 2,-0.4 -0.851 42.0-167.0 -88.2 132.5 3.8 20.9 49.5 23 318 A L E - C 0 42A 1 51,-2.7 2,-0.4 -2,-0.5 53,-0.4 -0.972 17.8-170.6-130.0 138.4 7.2 19.2 50.0 24 319 A V E + C 0 41A 9 17,-2.5 17,-2.0 -2,-0.4 2,-0.6 -0.991 6.1 178.4-128.2 120.1 10.7 20.0 48.7 25 320 A V E - C 0 40A 7 -2,-0.4 2,-0.5 15,-0.2 15,-0.2 -0.911 29.2-147.5-118.1 94.6 13.6 17.6 49.2 26 321 A E E + C 0 39A 19 13,-1.9 12,-2.4 -2,-0.6 13,-0.6 -0.529 26.8 173.5 -85.5 119.6 16.3 19.4 47.5 27 322 A V - 0 0 5 -2,-0.5 10,-0.1 10,-0.2 5,-0.1 -0.976 4.4-178.8-118.9 113.4 19.1 17.5 45.7 28 323 A V + 0 0 17 -2,-0.6 -1,-0.1 8,-0.4 9,-0.1 0.807 52.0 96.3 -89.4 -34.4 21.2 20.0 43.9 29 324 A E S S- 0 0 111 7,-0.3 6,-0.1 1,-0.1 -2,-0.1 -0.308 77.0-131.8 -50.4 136.6 23.7 17.7 42.3 30 325 A E S S+ 0 0 57 1,-0.2 2,-0.9 2,-0.1 -1,-0.1 0.946 101.4 55.0 -61.4 -49.8 22.6 17.0 38.7 31 326 A N S S- 0 0 28 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.776 74.3-169.6 -84.0 109.2 23.0 13.3 39.2 32 327 A Y > + 0 0 3 -2,-0.9 3,-1.8 3,-0.1 2,-0.3 0.514 42.0 124.6 -79.9 -2.6 20.9 12.6 42.2 33 328 A H T 3 S- 0 0 6 1,-0.3 51,-0.1 275,-0.1 -2,-0.1 -0.404 96.8 -18.2 -66.8 118.7 22.1 9.0 42.7 34 329 A D T 3 S+ 0 0 87 -2,-0.3 -1,-0.3 49,-0.2 50,-0.1 0.855 106.7 149.7 55.1 37.0 23.5 8.6 46.3 35 330 A A < - 0 0 7 -3,-1.8 -1,-0.2 1,-0.1 -3,-0.1 -0.643 51.2 -93.2-102.5 156.3 23.6 12.4 46.3 36 331 A P - 0 0 74 0, 0.0 2,-0.6 0, 0.0 -8,-0.4 -0.364 22.9-137.4 -70.1 148.1 23.2 14.7 49.3 37 332 A I - 0 0 10 -10,-0.1 -10,-0.2 1,-0.1 17,-0.1 -0.955 19.5-167.2 -99.5 114.9 19.9 16.2 50.2 38 333 A V - 0 0 36 -12,-2.4 2,-0.3 -2,-0.6 -11,-0.1 0.624 56.8 -21.5 -88.2 -13.2 20.8 19.9 51.1 39 334 A G E -C 26 0A 0 -13,-0.6 -13,-1.9 13,-0.1 2,-0.4 -0.935 55.0-127.9 176.3 162.9 17.6 21.0 52.8 40 335 A I E -CD 25 51A 0 11,-2.4 11,-2.4 -2,-0.3 2,-0.4 -0.963 13.8-170.0-130.4 142.5 13.9 20.4 53.3 41 336 A A E -CD 24 50A 0 -17,-2.0 -17,-2.5 -2,-0.4 2,-0.4 -0.996 2.1-175.2-131.4 139.5 10.8 22.7 53.0 42 337 A V E -CD 23 49A 0 7,-2.9 7,-3.3 -2,-0.4 2,-0.4 -0.999 0.8-176.5-131.1 130.1 7.3 21.9 53.9 43 338 A V E +CD 22 48A 6 -21,-2.4 -21,-3.1 -2,-0.4 2,-0.2 -0.999 21.7 141.9-125.9 128.4 4.3 24.2 53.3 44 339 A N E > - D 0 47A 6 3,-2.8 3,-1.3 -2,-0.4 -23,-0.1 -0.818 67.4 -70.2-146.4-172.2 0.9 23.3 54.6 45 340 A E T 3 S+ 0 0 106 -25,-0.4 3,-0.1 1,-0.3 -24,-0.1 0.704 128.6 55.0 -59.3 -20.7 -2.3 24.8 56.1 46 341 A H T 3 S- 0 0 103 -31,-0.3 2,-0.3 1,-0.3 -1,-0.3 0.605 120.2 -88.4 -93.4 -16.3 -0.3 25.4 59.4 47 342 A G E < - D 0 44A 26 -3,-1.3 -3,-2.8 -32,-0.1 2,-0.4 -0.961 51.0 -48.3 148.9-157.4 2.5 27.4 57.7 48 343 A R E - D 0 43A 86 -2,-0.3 -41,-2.5 -5,-0.2 2,-0.4 -0.965 48.7-174.6-118.9 132.9 5.9 27.2 55.9 49 344 A F E -aD 7 42A 3 -7,-3.3 -7,-2.9 -2,-0.4 2,-0.5 -0.985 16.8-161.7-134.2 134.1 8.8 25.2 57.4 50 345 A F E -aD 8 41A 3 -43,-2.3 -41,-1.3 -2,-0.4 2,-0.4 -0.982 18.9-173.5-109.3 129.3 12.4 24.7 56.5 51 346 A L E - D 0 40A 0 -11,-2.4 -11,-2.4 -2,-0.5 -41,-0.1 -0.940 26.1-120.3-122.0 145.8 14.1 21.7 58.1 52 347 A R > - 0 0 52 -43,-0.4 4,-3.1 -2,-0.4 3,-0.3 -0.665 22.2-134.2 -80.1 134.8 17.7 20.5 58.0 53 348 A P H > S+ 0 0 12 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.866 105.3 56.5 -63.9 -37.4 18.0 17.1 56.4 54 349 A E H 4 S+ 0 0 133 2,-0.2 4,-0.4 3,-0.1 -15,-0.0 0.887 116.7 38.8 -57.9 -38.2 20.3 15.8 59.2 55 350 A T H >4 S+ 0 0 41 -3,-0.3 3,-1.4 2,-0.1 4,-0.3 0.989 120.2 41.5 -72.1 -65.8 17.5 16.7 61.6 56 351 A A H >< S+ 0 0 0 -4,-3.1 3,-1.6 1,-0.3 7,-0.4 0.865 115.0 48.8 -53.7 -47.1 14.4 15.7 59.6 57 352 A L T 3< S+ 0 0 30 -4,-2.4 -1,-0.3 1,-0.3 -3,-0.1 0.564 108.1 54.7 -79.6 -8.4 15.7 12.5 58.1 58 353 A A T < S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.369 90.7 98.5 -93.9 2.3 16.9 11.2 61.6 59 354 A D <> - 0 0 32 -3,-1.6 4,-2.7 -4,-0.3 5,-0.3 -0.816 64.1-153.6-101.1 116.5 13.4 11.8 62.9 60 355 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.840 95.3 51.3 -53.1 -41.3 11.1 8.8 63.2 61 356 A Q H > S+ 0 0 101 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.941 112.6 44.2 -61.9 -51.8 7.9 10.9 62.8 62 357 A F H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.934 114.0 49.5 -63.8 -46.8 9.1 12.7 59.7 63 358 A V H X S+ 0 0 44 -4,-2.7 4,-1.9 -7,-0.4 -1,-0.2 0.928 112.3 48.3 -56.0 -47.3 10.4 9.5 58.1 64 359 A A H X S+ 0 0 66 -4,-2.5 4,-0.7 -5,-0.3 -1,-0.2 0.892 109.9 52.7 -64.9 -36.1 7.1 7.8 58.8 65 360 A W H >< S+ 0 0 9 -4,-2.7 3,-0.9 1,-0.2 6,-0.2 0.938 107.5 52.8 -60.0 -45.3 5.2 10.8 57.4 66 361 A L H 3< S+ 0 0 0 -4,-2.8 27,-3.2 1,-0.2 -2,-0.2 0.874 113.6 43.1 -52.9 -42.9 7.3 10.5 54.2 67 362 A G H 3< S+ 0 0 32 -4,-1.9 2,-1.0 25,-0.2 -1,-0.2 0.461 87.6 105.3 -87.8 -3.5 6.4 6.8 53.9 68 363 A D X< - 0 0 55 -3,-0.9 3,-1.9 -4,-0.7 25,-0.1 -0.699 54.7-161.9 -87.2 107.1 2.7 7.3 54.7 69 364 A E T 3 S+ 0 0 108 -2,-1.0 -1,-0.2 1,-0.3 -4,-0.0 0.696 88.6 60.6 -55.5 -26.9 0.7 7.0 51.5 70 365 A T T 3 S+ 0 0 86 2,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.560 86.6 83.4 -82.2 -13.7 -2.3 8.7 53.1 71 366 A K S < S- 0 0 49 -3,-1.9 2,-0.3 -6,-0.2 -51,-0.2 -0.863 82.4-142.1 -91.6 109.1 -0.3 11.8 53.7 72 367 A K E -b 20 0A 70 -53,-2.4 -51,-1.9 -2,-0.8 2,-0.4 -0.567 17.2-166.7 -88.2 129.3 -0.4 13.6 50.4 73 368 A K E -be 21 95A 0 21,-2.9 23,-1.6 -2,-0.3 24,-1.3 -0.923 12.2-156.2-114.4 139.5 2.5 15.5 49.0 74 369 A S E +be 22 97A 0 -53,-2.5 -51,-2.7 -2,-0.4 2,-0.3 -0.953 32.5 158.6-107.6 125.3 2.8 18.0 46.2 75 370 A M E - e 0 98A 3 22,-2.7 24,-2.6 -2,-0.5 2,-0.5 -0.845 43.1-119.4-139.0 170.4 6.3 18.2 44.7 76 371 A F S S- 0 0 34 -53,-0.4 5,-0.1 -2,-0.3 39,-0.1 -0.986 98.5 -6.1-114.5 120.5 8.4 19.2 41.7 77 372 A D S >> S- 0 0 34 -2,-0.5 4,-1.1 3,-0.1 3,-0.8 0.983 73.2-176.5 62.6 61.3 10.3 16.3 40.2 78 373 A S H 3> S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.774 73.7 66.2 -61.9 -26.2 9.4 13.8 42.9 79 374 A K H 3> S+ 0 0 9 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.877 96.5 55.2 -65.8 -38.6 11.6 11.0 41.3 80 375 A R H <> S+ 0 0 56 -3,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.945 113.7 41.3 -55.4 -48.2 14.7 13.0 42.1 81 376 A A H X S+ 0 0 3 -4,-1.1 4,-2.5 2,-0.2 -2,-0.2 0.933 114.0 52.4 -66.8 -47.8 13.7 13.1 45.8 82 377 A A H X S+ 0 0 17 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.932 112.6 43.8 -56.7 -48.9 12.5 9.5 45.8 83 378 A V H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.960 112.2 51.5 -63.9 -48.6 15.7 8.2 44.5 84 379 A A H X S+ 0 0 1 -4,-2.3 4,-0.6 -5,-0.3 -1,-0.2 0.882 112.9 47.5 -58.1 -35.0 17.9 10.3 46.7 85 380 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.6 2,-0.2 3,-0.6 0.861 106.3 57.4 -74.4 -35.0 15.9 9.1 49.6 86 381 A K H ><5S+ 0 0 27 -4,-2.3 3,-2.1 1,-0.3 -2,-0.2 0.897 100.8 56.9 -59.3 -42.7 16.1 5.4 48.5 87 382 A W H 3<5S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.758 109.4 47.3 -63.0 -24.1 19.9 5.6 48.6 88 383 A K T <<5S- 0 0 108 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.307 122.7-107.2 -95.7 6.8 19.4 6.6 52.2 89 384 A G T < 5S+ 0 0 68 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.709 78.4 126.4 80.0 22.4 17.0 3.8 53.0 90 385 A I < - 0 0 16 -5,-2.6 2,-0.4 -8,-0.1 -1,-0.2 -0.952 50.6-141.2-121.2 129.0 13.9 6.0 53.2 91 386 A E - 0 0 105 -2,-0.4 2,-0.5 -3,-0.1 -23,-0.1 -0.696 7.5-154.6 -89.0 135.8 10.6 5.5 51.2 92 387 A L + 0 0 23 -2,-0.4 2,-0.3 -25,-0.1 -25,-0.2 -0.967 26.0 163.9-106.9 122.8 8.7 8.4 49.8 93 388 A C + 0 0 39 -27,-3.2 -25,-0.2 -2,-0.5 3,-0.1 -0.830 41.4 48.8-131.0 169.5 5.0 7.8 49.4 94 389 A G + 0 0 2 -2,-0.3 -21,-2.9 1,-0.2 2,-1.1 0.682 54.2 159.5 76.0 22.8 1.8 9.7 48.8 95 390 A V E +e 73 0A 37 -23,-0.2 -1,-0.2 1,-0.2 -21,-0.2 -0.656 4.6 167.0 -77.3 100.5 3.0 12.0 46.0 96 391 A S E + 0 0 45 -23,-1.6 2,-0.3 -2,-1.1 -22,-0.2 0.581 63.2 31.1 -94.0 -11.6 -0.4 13.0 44.5 97 392 A F E -e 74 0A 0 -24,-1.3 -22,-2.7 -3,-0.1 2,-0.6 -0.926 55.9-171.6-151.7 126.3 0.8 15.9 42.4 98 393 A D E > -e 75 0A 1 -2,-0.3 4,-2.7 -24,-0.2 3,-0.3 -0.916 8.8-162.3-119.5 104.9 4.1 16.5 40.6 99 394 A L H > S+ 0 0 0 -24,-2.6 4,-2.9 -2,-0.6 5,-0.2 0.818 90.2 55.9 -55.0 -37.0 4.3 20.1 39.1 100 395 A L H > S+ 0 0 16 -25,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.947 112.2 41.7 -60.8 -47.8 7.2 19.1 36.8 101 396 A L H > S+ 0 0 3 -3,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.884 114.0 53.5 -69.4 -36.2 5.1 16.3 35.2 102 397 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.923 111.5 45.0 -60.7 -46.6 2.0 18.6 35.2 103 398 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.896 109.9 55.8 -65.9 -41.5 3.9 21.3 33.3 104 399 A Y H < S+ 0 0 7 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.898 110.5 44.2 -57.6 -43.1 5.4 18.8 30.9 105 400 A L H < S+ 0 0 1 -4,-1.9 370,-0.5 2,-0.2 -1,-0.2 0.884 111.2 53.6 -71.9 -35.8 2.0 17.5 29.9 106 401 A L H < S- 0 0 2 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.909 137.1 -11.3 -67.7 -41.8 0.4 21.0 29.6 107 402 A D >< - 0 0 29 -4,-2.4 3,-1.1 -5,-0.1 5,-0.4 -0.667 57.5-173.6-160.2 102.7 3.1 22.2 27.2 108 403 A P G > S+ 0 0 7 0, 0.0 3,-0.8 0, 0.0 -3,-0.1 0.684 82.8 68.2 -71.1 -19.2 6.3 20.1 26.6 109 404 A A G 3 S+ 0 0 61 1,-0.2 -5,-0.1 2,-0.1 208,-0.1 0.655 80.9 74.7 -74.9 -19.5 7.9 22.9 24.5 110 405 A Q G < S- 0 0 113 -3,-1.1 -1,-0.2 -7,-0.2 3,-0.1 0.753 93.6-139.3 -63.3 -22.3 8.3 25.3 27.4 111 406 A G < - 0 0 45 -3,-0.8 2,-0.3 -4,-0.3 -2,-0.1 0.906 24.9-167.5 64.9 39.0 11.2 23.2 28.6 112 407 A V + 0 0 11 -5,-0.4 -1,-0.2 1,-0.2 3,-0.1 -0.509 26.3 152.9 -64.4 120.6 10.1 23.5 32.2 113 408 A D + 0 0 119 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.245 59.0 36.7-131.4 4.2 13.0 22.2 34.3 114 409 A D S > S- 0 0 14 1,-0.1 4,-2.0 -14,-0.1 -1,-0.2 -0.980 84.1-105.1-151.1 165.4 12.4 24.2 37.5 115 410 A V H > S+ 0 0 2 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.882 117.1 58.2 -56.3 -40.1 9.7 25.5 39.7 116 411 A A H > S+ 0 0 10 12,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.938 105.8 47.9 -57.9 -50.0 10.3 29.1 38.5 117 412 A A H > S+ 0 0 33 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.908 114.4 47.0 -60.4 -41.3 9.6 28.1 34.8 118 413 A A H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 4,-0.4 0.930 110.1 53.1 -61.8 -46.3 6.5 26.2 35.8 119 414 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.2 1,-0.3 3,-1.9 0.885 100.5 61.7 -57.7 -40.8 5.3 29.1 38.0 120 415 A K H ><5S+ 0 0 124 -4,-2.4 3,-1.7 1,-0.3 -1,-0.3 0.782 89.3 69.4 -57.1 -31.7 5.7 31.5 35.1 121 416 A M T <<5S+ 0 0 42 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.761 108.5 37.1 -59.2 -26.2 3.1 29.6 33.1 122 417 A K T < 5S- 0 0 61 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 -0.049 122.2-100.3-117.0 28.1 0.5 30.9 35.5 123 418 A Q T < 5S+ 0 0 160 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.807 78.5 138.9 63.6 28.3 1.9 34.4 36.1 124 419 A Y < + 0 0 52 -5,-2.2 -1,-0.2 -8,-0.1 -2,-0.2 -0.936 12.8 155.1-105.7 122.5 3.5 33.4 39.4 125 420 A E + 0 0 122 -2,-0.5 2,-1.0 -3,-0.1 -1,-0.1 0.282 33.5 112.5-134.2 11.3 6.9 34.9 39.8 126 421 A A S S+ 0 0 46 -7,-0.1 2,-0.3 28,-0.1 32,-0.1 -0.119 72.4 69.6 -79.9 40.6 7.5 35.0 43.6 127 422 A V S S- 0 0 12 -2,-1.0 24,-0.1 -11,-0.1 28,-0.0 -0.983 79.3-122.1-153.5 148.8 10.2 32.3 43.3 128 423 A R - 0 0 113 -2,-0.3 -12,-0.4 23,-0.1 2,-0.2 -0.652 29.2-102.9 -94.3 148.0 13.7 32.3 41.7 129 424 A P >> - 0 0 63 0, 0.0 4,-1.1 0, 0.0 3,-1.1 -0.487 30.5-125.5 -59.7 134.7 15.1 30.2 39.0 130 425 A D H >> S+ 0 0 34 1,-0.2 4,-3.3 2,-0.2 3,-0.5 0.846 111.1 62.6 -50.5 -35.8 17.3 27.5 40.5 131 426 A E H 3> S+ 0 0 137 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.852 101.2 50.6 -61.9 -34.3 20.1 28.8 38.2 132 427 A A H <4 S+ 0 0 58 -3,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.749 117.7 39.3 -72.7 -27.0 20.0 32.2 39.9 133 428 A V H << S+ 0 0 15 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.883 127.9 29.2 -90.5 -44.7 20.3 30.6 43.3 134 429 A Y H < S- 0 0 7 -4,-3.3 7,-2.4 1,-0.2 -3,-0.2 0.626 101.2-135.5 -93.6 -13.0 22.8 27.8 42.6 135 430 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.327 25.1 -83.0 81.0-172.8 24.8 29.4 39.8 136 431 A K S > S- 0 0 60 -2,-0.1 3,-1.0 -4,-0.1 2,-0.5 -0.984 74.0 -33.1-137.9 125.1 25.8 27.6 36.6 137 432 A G G > S+ 0 0 63 -2,-0.4 3,-0.9 1,-0.2 0, 0.0 -0.575 127.1 6.1 80.5-119.5 28.7 25.3 35.8 138 433 A A G 3 S+ 0 0 114 -2,-0.5 -1,-0.2 1,-0.2 -3,-0.0 0.801 132.9 51.6 -76.8 -29.7 32.0 26.1 37.7 139 434 A K G < S+ 0 0 84 -3,-1.0 2,-0.4 2,-0.0 -1,-0.2 0.359 83.1 126.4 -83.1 6.5 30.4 28.8 39.9 140 435 A R < + 0 0 100 -3,-0.9 2,-0.3 -5,-0.1 -5,-0.2 -0.532 32.8 142.9 -75.1 120.2 27.7 26.4 40.8 141 436 A A - 0 0 60 -7,-2.4 -2,-0.0 -2,-0.4 -3,-0.0 -0.986 54.7-101.4-153.4 157.9 27.4 26.1 44.6 142 437 A V - 0 0 71 -2,-0.3 -8,-0.1 1,-0.1 3,-0.1 -0.759 45.2-136.4 -83.3 127.1 25.1 25.7 47.5 143 438 A P - 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 -0.124 32.6 -70.0 -80.4 176.3 24.5 29.0 49.1 144 439 A D >> - 0 0 132 1,-0.1 4,-2.5 4,-0.1 3,-0.7 -0.194 54.7 -96.8 -66.3 158.9 24.4 29.8 52.8 145 440 A E H 3> S+ 0 0 74 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.766 118.6 52.9 -50.6 -39.1 21.5 28.6 55.0 146 441 A P H 3> S+ 0 0 88 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.904 115.5 39.6 -70.5 -37.3 19.4 31.8 54.9 147 442 A V H <> S+ 0 0 66 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.936 118.0 49.6 -71.9 -48.0 19.4 32.1 51.1 148 443 A L H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.941 112.1 47.7 -49.7 -55.4 19.0 28.3 50.7 149 444 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.849 110.4 50.2 -61.1 -39.9 16.1 28.1 53.1 150 445 A E H X S+ 0 0 45 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.890 111.0 50.6 -69.4 -37.3 14.2 31.1 51.7 151 446 A H H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.950 110.2 47.2 -63.7 -48.9 14.5 29.6 48.2 152 447 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.890 112.5 50.8 -63.0 -37.3 13.2 26.1 49.2 153 448 A V H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 -1,-0.2 0.900 109.4 51.0 -65.8 -39.5 10.3 27.7 51.1 154 449 A R H X S+ 0 0 39 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.870 110.4 49.0 -63.1 -38.3 9.4 29.8 48.0 155 450 A K H X S+ 0 0 9 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.939 113.5 45.9 -66.5 -47.4 9.5 26.7 45.8 156 451 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.894 113.4 49.9 -58.1 -44.5 7.2 24.8 48.2 157 452 A A H X S+ 0 0 8 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.889 110.3 50.4 -65.1 -39.7 5.0 27.9 48.5 158 453 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.958 111.3 48.5 -62.1 -48.2 4.8 28.1 44.6 159 454 A I H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.956 110.9 50.5 -54.5 -53.4 3.9 24.4 44.4 160 455 A W H < S+ 0 0 86 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.892 116.3 41.8 -48.4 -47.6 1.2 24.8 47.1 161 456 A A H < S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 116.3 48.2 -72.0 -34.8 -0.2 27.8 45.1 162 457 A L H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.633 85.4 84.3 -87.8 -15.9 0.1 26.3 41.7 163 458 A E H X S+ 0 0 26 -4,-1.8 4,-2.7 -5,-0.2 5,-0.3 0.956 91.7 48.3 -52.7 -53.7 -1.4 22.8 42.2 164 459 A R H > S+ 0 0 72 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.916 112.7 45.2 -59.8 -51.1 -5.0 23.9 41.7 165 460 A P H > S+ 0 0 41 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.847 114.2 49.7 -63.1 -34.3 -4.5 25.9 38.5 166 461 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.940 113.5 45.6 -65.4 -45.3 -2.4 23.2 36.9 167 462 A L H X S+ 0 0 60 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.845 110.0 56.3 -65.1 -35.6 -5.0 20.6 37.7 168 463 A D H X S+ 0 0 81 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.936 111.8 41.1 -61.7 -48.2 -7.7 22.8 36.4 169 464 A E H X S+ 0 0 39 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.892 111.7 55.0 -70.6 -40.7 -6.1 23.2 33.1 170 465 A L H <>S+ 0 0 0 -4,-2.6 5,-3.7 1,-0.2 6,-0.6 0.925 109.5 49.6 -54.5 -41.5 -5.1 19.5 32.9 171 466 A R H ><5S+ 0 0 69 -4,-2.3 3,-1.9 4,-0.2 -2,-0.2 0.927 108.0 51.6 -65.7 -43.0 -8.8 18.7 33.4 172 467 A R H 3<5S+ 0 0 172 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.851 112.6 46.5 -62.8 -35.9 -9.9 21.1 30.7 173 468 A N T 3<5S- 0 0 22 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.343 116.6-116.9 -80.6 1.8 -7.5 19.4 28.3 174 469 A E T < 5S+ 0 0 129 -3,-1.9 -3,-0.2 -5,-0.1 4,-0.2 0.879 84.2 120.0 59.0 40.6 -8.7 15.9 29.5 175 470 A Q >< + 0 0 0 -5,-3.7 4,-1.9 -6,-0.2 -4,-0.2 0.335 34.9 97.1-113.4 2.5 -5.2 15.3 30.8 176 471 A D H > S+ 0 0 62 -6,-0.6 4,-2.7 1,-0.2 5,-0.3 0.948 89.8 42.1 -61.7 -47.5 -6.0 14.8 34.5 177 472 A R H >>S+ 0 0 155 1,-0.2 4,-3.0 2,-0.2 5,-0.8 0.914 108.3 61.1 -66.2 -37.3 -6.0 11.0 34.2 178 473 A L H >>S+ 0 0 11 -4,-0.2 5,-2.5 1,-0.2 4,-0.5 0.871 113.5 37.5 -55.5 -39.4 -2.9 11.1 32.0 179 474 A L H <>S+ 0 0 1 -4,-1.9 5,-2.6 -3,-0.2 -2,-0.2 0.960 123.8 37.3 -71.8 -58.1 -1.1 12.8 34.9 180 475 A V H <5S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.826 127.9 30.9 -70.4 -35.3 -2.5 10.9 37.9 181 476 A E H <5S+ 0 0 100 -4,-3.0 -1,-0.2 -5,-0.3 -3,-0.2 0.584 132.4 19.7-104.3 -15.3 -2.9 7.4 36.4 182 477 A L T X S+ 0 0 44 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.877 113.1 54.3 -66.8 -33.2 2.7 6.2 38.7 186 481 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.858 100.7 61.8 -60.6 -37.3 5.3 5.7 35.9 187 482 A S H X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.926 103.4 47.5 -59.1 -46.9 7.5 8.1 37.8 188 483 A S H X S+ 0 0 69 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.894 112.2 50.5 -56.7 -42.4 7.7 5.8 40.9 189 484 A I H X S+ 0 0 8 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.889 109.7 49.4 -65.8 -42.6 8.4 2.8 38.6 190 485 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.892 107.4 56.8 -62.2 -37.9 11.2 4.7 36.8 191 486 A A H X S+ 0 0 1 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.899 108.2 46.2 -58.6 -45.2 12.6 5.6 40.3 192 487 A E H X S+ 0 0 90 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.888 112.0 51.1 -64.6 -41.3 12.8 1.8 41.2 193 488 A M H X S+ 0 0 4 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.883 112.7 45.3 -64.1 -43.4 14.4 1.0 37.8 194 489 A E H < S+ 0 0 1 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.908 114.0 48.5 -65.5 -45.6 17.1 3.7 38.3 195 490 A F H < S+ 0 0 75 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.917 112.1 48.9 -63.4 -45.0 17.8 2.8 41.9 196 491 A A H < S- 0 0 16 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.915 95.2-178.9 -61.7 -46.6 18.1 -0.9 41.0 197 492 A G < - 0 0 4 -4,-2.0 2,-0.4 -5,-0.2 111,-0.2 0.018 29.1 -75.7 73.0 179.7 20.4 -0.1 38.2 198 493 A V E -F 307 0B 8 109,-2.6 109,-2.4 -4,-0.1 2,-0.3 -0.974 38.7-124.3-122.8 132.6 22.1 -2.5 35.7 199 494 A K E -FG 306 346B 54 147,-0.7 147,-2.4 -2,-0.4 2,-0.4 -0.546 25.8-156.3 -78.3 133.7 25.0 -4.7 36.5 200 495 A V E - G 0 345B 4 105,-2.9 2,-1.4 -2,-0.3 145,-0.2 -0.938 18.8-136.2-113.6 135.7 28.1 -4.3 34.3 201 496 A D > + 0 0 61 143,-3.2 4,-2.2 -2,-0.4 5,-0.2 -0.668 28.7 179.0 -81.0 85.0 30.9 -6.8 33.6 202 497 A T H > S+ 0 0 17 -2,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.850 75.6 57.3 -63.8 -34.0 33.7 -4.3 33.9 203 498 A K H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.953 108.2 47.8 -62.7 -45.0 36.4 -6.9 33.3 204 499 A R H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.964 111.9 49.2 -58.6 -52.5 34.8 -7.7 30.0 205 500 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.865 109.8 52.8 -53.2 -40.9 34.5 -4.1 29.1 206 501 A E H X S+ 0 0 106 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.862 108.2 47.9 -70.6 -35.4 38.2 -3.5 29.9 207 502 A Q H X S+ 0 0 114 -4,-2.0 4,-2.2 -3,-0.3 -1,-0.2 0.875 110.3 53.6 -71.6 -35.5 39.5 -6.3 27.8 208 503 A M H X S+ 0 0 25 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.956 105.9 53.6 -58.1 -50.1 37.3 -5.0 24.9 209 504 A G H X S+ 0 0 9 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.850 109.3 49.4 -46.8 -41.5 39.0 -1.6 25.5 210 505 A E H X S+ 0 0 143 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.867 109.2 49.2 -72.5 -42.3 42.3 -3.3 25.1 211 506 A E H >X S+ 0 0 71 -4,-2.2 4,-1.9 2,-0.2 3,-0.6 0.993 116.1 44.9 -55.1 -60.7 41.4 -5.1 21.9 212 507 A L H 3X S+ 0 0 17 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.894 106.7 58.2 -49.1 -51.6 40.1 -1.8 20.5 213 508 A A H 3X S+ 0 0 24 -4,-3.0 4,-1.4 1,-0.3 -1,-0.2 0.908 111.9 43.0 -49.1 -43.0 43.2 0.2 21.7 214 509 A E H S+ 0 0 23 -4,-1.8 4,-1.1 2,-0.2 5,-1.0 0.902 112.1 54.9 -66.0 -42.0 49.4 8.0 8.5 225 520 A E H <5S+ 0 0 138 -4,-4.1 -2,-0.2 1,-0.2 -1,-0.2 0.841 114.9 41.7 -54.9 -34.0 51.2 5.5 6.2 226 521 A L H <5S+ 0 0 30 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.827 114.0 47.6 -88.8 -35.6 48.5 6.4 3.6 227 522 A A H <5S- 0 0 1 -4,-2.7 -2,-0.2 2,-0.3 -1,-0.2 0.533 104.8-131.5 -76.6 -9.0 48.5 10.2 4.2 228 523 A G T <5S+ 0 0 64 -4,-1.1 2,-0.3 -5,-0.2 -3,-0.2 0.636 82.4 56.9 67.5 13.5 52.3 10.0 4.0 229 524 A Q S - 0 0 71 -2,-0.3 3,-1.5 1,-0.2 7,-0.4 -0.749 36.4-169.0 -84.7 104.0 45.1 14.6 14.1 233 528 A I T 3 S+ 0 0 1 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.786 86.7 56.2 -64.5 -27.4 42.5 12.4 12.4 234 529 A N T 3 S+ 0 0 110 -3,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.624 85.9 101.3 -79.8 -14.9 39.9 13.8 14.8 235 530 A S <> - 0 0 19 -3,-1.5 4,-1.5 1,-0.1 5,-0.3 -0.564 63.2-152.6 -71.1 129.1 40.6 17.4 13.7 236 531 A P H > S+ 0 0 112 0, 0.0 4,-1.0 0, 0.0 23,-0.2 0.855 96.5 45.5 -68.8 -29.5 38.1 18.7 11.2 237 532 A K H > S+ 0 0 70 2,-0.2 4,-1.2 3,-0.1 5,-0.1 0.919 113.1 45.0 -77.7 -44.9 40.7 21.0 9.8 238 533 A Q H > S+ 0 0 86 -6,-0.2 4,-1.8 1,-0.2 -1,-0.1 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6.8 379 674 A A H <>S+ 0 0 1 -4,-2.4 5,-2.8 1,-0.2 -2,-0.2 0.915 113.2 39.4 -48.5 -49.6 -1.6 -6.2 6.4 380 675 A F H ><5S+ 0 0 3 -4,-1.8 3,-1.3 3,-0.2 -1,-0.2 0.806 109.8 58.9 -72.7 -32.0 -1.1 -6.3 10.2 381 676 A R H 3<5S+ 0 0 135 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.869 109.8 45.8 -64.5 -32.0 -4.2 -8.5 10.8 382 677 A R T 3<5S- 0 0 152 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.443 111.2-130.3 -81.9 0.3 -2.4 -10.9 8.5 383 678 A D T < 5 + 0 0 80 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.1 0.874 46.4 175.4 47.5 42.0 0.8 -10.3 10.6 384 679 A L < - 0 0 53 -5,-2.8 2,-0.8 -6,-0.2 -1,-0.1 -0.318 46.0 -95.8 -69.8 156.6 2.5 -9.7 7.2 385 680 A D > - 0 0 76 1,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.695 42.7-152.9 -66.6 112.4 6.1 -8.6 6.8 386 681 A I H > S+ 0 0 4 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.804 86.6 49.9 -71.2 -34.2 5.3 -5.0 6.4 387 682 A H H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 113.6 47.1 -71.1 -42.6 8.3 -3.9 4.4 388 683 A T H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.939 113.4 48.7 -59.6 -48.2 7.8 -6.8 1.9 389 684 A K H X S+ 0 0 21 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.914 111.0 49.7 -61.7 -40.8 4.0 -6.0 1.7 390 685 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.881 110.5 51.6 -66.9 -36.0 4.8 -2.3 1.1 391 686 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 6,-0.3 0.920 107.3 51.8 -58.7 -50.0 7.3 -3.3 -1.6 392 687 A M H <>S+ 0 0 46 -4,-2.4 5,-1.5 1,-0.2 4,-0.3 0.893 114.8 44.5 -56.5 -40.1 4.7 -5.5 -3.4 393 688 A D H <5S+ 0 0 37 -4,-1.9 3,-0.3 3,-0.2 -2,-0.2 0.919 114.2 43.3 -75.9 -46.6 2.3 -2.6 -3.4 394 689 A I H <5S+ 0 0 6 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.826 124.5 36.3 -75.7 -28.1 4.4 0.3 -4.5 395 690 A F T <5S- 0 0 51 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.403 105.5-129.3 -96.1 -0.0 6.2 -1.7 -7.2 396 691 A Q T 5 + 0 0 140 -4,-0.3 2,-0.2 -3,-0.3 -3,-0.2 0.875 62.2 129.5 53.4 46.6 3.0 -3.7 -8.1 397 692 A V < - 0 0 34 -5,-1.5 -1,-0.2 -6,-0.3 2,-0.2 -0.723 58.7-104.4-121.7 170.7 4.7 -7.1 -7.9 398 693 A S >> - 0 0 55 -2,-0.2 3,-1.7 1,-0.1 4,-0.8 -0.524 43.1 -97.1 -90.1 162.9 4.0 -10.4 -6.1 399 694 A E G >4 S+ 0 0 134 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.885 125.2 57.0 -45.5 -46.2 5.9 -11.6 -3.0 400 695 A D G 34 S+ 0 0 156 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.751 104.4 51.3 -54.2 -35.7 8.2 -13.7 -5.4 401 696 A E G <4 S+ 0 0 113 -3,-1.7 2,-0.6 2,-0.1 -1,-0.3 0.552 79.6 110.4 -85.5 -9.7 9.2 -10.6 -7.4 402 697 A V << - 0 0 28 -3,-1.3 -10,-0.1 -4,-0.8 -14,-0.0 -0.566 55.4-158.5 -72.9 116.1 10.3 -8.5 -4.5 403 698 A T > - 0 0 66 -2,-0.6 4,-1.9 1,-0.1 5,-0.2 -0.382 30.2-106.7 -84.0 165.7 14.1 -8.1 -4.6 404 699 A P H > S+ 0 0 118 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.877 121.8 51.2 -63.4 -35.1 16.2 -7.2 -1.6 405 700 A N H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.895 108.0 52.1 -67.1 -40.2 16.8 -3.7 -3.0 406 701 A M H > S+ 0 0 30 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 111.7 47.1 -55.9 -43.0 13.0 -3.2 -3.5 407 702 A R H X S+ 0 0 76 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.906 109.4 53.1 -70.5 -40.0 12.5 -4.3 0.1 408 703 A R H X S+ 0 0 121 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.925 111.9 46.2 -58.1 -44.2 15.2 -2.0 1.4 409 704 A Q H X S+ 0 0 28 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.849 110.7 50.7 -69.4 -38.6 13.6 1.0 -0.4 410 705 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.869 109.7 52.9 -63.9 -38.3 10.1 0.2 0.8 411 706 A K H X S+ 0 0 86 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.964 107.3 50.1 -60.7 -52.2 11.4 0.0 4.3 412 707 A A H X S+ 0 0 13 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.854 110.9 50.5 -55.1 -37.9 13.0 3.5 3.9 413 708 A V H X S+ 0 0 3 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.914 107.7 53.2 -66.8 -40.6 9.7 4.8 2.7 414 709 A N H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.911 111.8 45.2 -61.8 -44.5 8.0 3.2 5.7 415 710 A F H >X S+ 0 0 94 -4,-2.6 4,-2.1 2,-0.2 3,-0.8 0.988 115.4 47.0 -58.8 -57.3 10.4 5.0 8.0 416 711 A G H 3<>S+ 0 0 17 -4,-2.7 5,-1.6 1,-0.3 -2,-0.2 0.856 108.2 55.0 -54.3 -39.7 10.0 8.2 6.1 417 712 A I H ><5S+ 0 0 2 -4,-3.2 3,-0.9 1,-0.2 -1,-0.3 0.873 109.5 49.7 -61.5 -36.0 6.2 7.9 6.1 418 713 A V H <<5S+ 0 0 2 -4,-1.5 -2,-0.2 -3,-0.8 -1,-0.2 0.897 109.6 49.5 -68.0 -41.1 6.4 7.6 9.8 419 714 A Y T 3<5S- 0 0 114 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.157 130.5 -87.8 -87.0 14.9 8.6 10.7 10.2 420 715 A G T < 5 - 0 0 0 -3,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.052 58.7-121.3 100.1 -22.9 6.3 12.9 8.1 421 716 A I < - 0 0 33 -5,-1.6 2,-0.4 -6,-0.2 -4,-0.1 0.877 30.3-172.7 61.9 111.7 7.8 12.1 4.6 422 717 A S > - 0 0 32 1,-0.1 4,-2.5 72,-0.0 5,-0.4 -1.000 30.4-131.1-130.9 134.2 9.3 14.7 2.2 423 718 A D H > S+ 0 0 74 -2,-0.4 4,-2.5 1,-0.3 5,-0.2 0.922 114.2 47.5 -47.6 -44.7 10.4 13.9 -1.3 424 719 A Y H > S+ 0 0 60 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.846 111.2 51.2 -64.8 -36.3 13.7 15.7 -0.5 425 720 A G H > S+ 0 0 28 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.893 115.1 39.7 -69.4 -41.9 14.1 13.9 2.9 426 721 A L H X S+ 0 0 12 -4,-2.5 4,-3.4 2,-0.2 5,-0.3 0.925 110.9 60.2 -69.4 -46.8 13.6 10.4 1.5 427 722 A A H <>S+ 0 0 7 -4,-2.5 5,-3.0 -5,-0.4 4,-0.3 0.825 108.0 45.1 -49.2 -41.3 15.7 11.2 -1.6 428 723 A Q H ><5S+ 0 0 157 -4,-1.4 3,-0.9 3,-0.2 -1,-0.3 0.924 113.8 48.8 -70.0 -48.4 18.6 12.0 0.6 429 724 A N H 3<5S+ 0 0 112 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.895 116.9 41.0 -58.8 -42.6 18.1 8.9 2.7 430 725 A L T 3<5S- 0 0 4 -4,-3.4 -1,-0.2 2,-0.1 -2,-0.2 0.371 109.1-118.9 -90.0 2.0 17.8 6.6 -0.4 431 726 A N T < 5S+ 0 0 110 -3,-0.9 2,-0.2 -4,-0.3 -3,-0.2 0.906 77.4 107.6 60.9 44.3 20.6 8.3 -2.3 432 727 A I S - 0 0 64 -2,-0.2 4,-0.9 1,-0.1 -1,-0.1 -0.108 29.6-131.5 -70.8 161.0 16.3 12.1 -6.7 434 729 A R H > S+ 0 0 48 3,-0.2 4,-2.0 2,-0.1 5,-0.1 0.887 107.2 58.6 -76.6 -45.1 13.8 14.5 -5.1 435 730 A K H 4 S+ 0 0 66 2,-0.2 2,-3.2 1,-0.2 -3,-0.0 -0.351 112.6 30.4 -62.3 167.6 11.6 13.8 -8.1 436 731 A E H > S+ 0 0 81 1,-0.3 4,-1.8 -4,-0.1 -1,-0.2 -0.143 111.8 66.1 70.1 -48.4 11.2 10.0 -8.0 437 732 A A H X S+ 0 0 0 -2,-3.2 4,-2.2 -4,-0.9 -1,-0.3 0.930 104.3 47.8 -59.9 -42.4 11.4 10.1 -4.2 438 733 A A H X S+ 0 0 31 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.799 105.7 57.9 -62.9 -32.5 8.2 12.0 -4.8 439 734 A E H > S+ 0 0 111 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.850 106.5 48.5 -66.1 -36.5 7.2 9.2 -7.1 440 735 A F H X S+ 0 0 35 -4,-1.8 4,-3.2 -3,-0.2 5,-0.2 0.977 112.1 47.0 -66.2 -55.4 7.6 6.7 -4.2 441 736 A I H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.918 114.2 48.7 -50.5 -50.9 5.6 8.7 -1.7 442 737 A E H X S+ 0 0 114 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.890 112.1 48.6 -55.4 -44.0 2.9 9.2 -4.4 443 738 A R H X S+ 0 0 52 -4,-1.8 4,-1.4 1,-0.2 3,-0.2 0.920 108.6 53.7 -66.9 -44.8 2.9 5.5 -5.1 444 739 A Y H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 3,-0.3 0.898 107.7 51.4 -50.5 -46.2 2.7 4.7 -1.4 445 740 A F H < S+ 0 0 28 -4,-2.1 7,-0.2 1,-0.2 -1,-0.2 0.799 102.5 58.6 -71.3 -27.5 -0.4 6.9 -1.0 446 741 A E H < S+ 0 0 111 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.862 113.9 39.0 -65.1 -35.6 -2.1 5.2 -3.9 447 742 A S H < S+ 0 0 18 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.752 126.4 36.7 -82.8 -29.2 -1.8 1.9 -2.0 448 743 A F >X + 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 3,-0.6 -0.569 63.6 159.3-124.7 66.5 -2.5 3.5 1.4 449 744 A P H 3> S+ 0 0 83 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.729 75.8 60.1 -67.2 -21.2 -5.2 6.2 0.8 450 745 A G H 3> S+ 0 0 13 2,-0.2 4,-2.4 3,-0.2 5,-0.1 0.880 104.7 48.1 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