==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-FEB-10 3AFB . COMPND 2 MOLECULE: PUTATIVE CHITINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR H.TSUJI . 600 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23041.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 39 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 0 0 2 3 1 1 2 1 0 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 4 2 0 8 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 5 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 0 0 0 0 0 2 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 1 407 A G 0 0 77 0, 0.0 3,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.2 30.5 22.5 -9.1 2 408 A P + 0 0 131 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.828 360.0 16.4 -63.5 -31.9 30.5 18.7 -8.9 3 409 A N S S+ 0 0 105 1,-0.2 2,-0.3 108,-0.0 68,-0.1 0.078 126.0 48.2-132.6 22.5 28.1 18.5 -5.9 4 410 A A - 0 0 18 -3,-0.5 -1,-0.2 67,-0.1 72,-0.1 -0.935 65.6-150.5-160.2 143.2 26.5 21.9 -5.7 5 411 A N - 0 0 37 -2,-0.3 2,-0.2 70,-0.3 72,-0.1 -0.778 28.8 -93.9-115.8 157.8 24.9 24.2 -8.3 6 412 A P - 0 0 103 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 -0.455 29.0-143.1 -70.0 139.5 24.6 27.9 -8.7 7 413 A I - 0 0 39 -2,-0.2 4,-0.1 1,-0.1 68,-0.0 -0.899 34.3-103.7 -95.8 132.3 21.5 29.6 -7.4 8 414 A P - 0 0 35 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.112 22.5-114.6 -58.4 156.1 20.4 32.5 -9.7 9 415 A E S S+ 0 0 122 1,-0.2 2,-0.5 287,-0.2 284,-0.0 0.826 115.8 35.2 -56.2 -37.6 21.0 36.1 -8.8 10 416 A H S S+ 0 0 18 286,-0.2 2,-0.3 283,-0.1 244,-0.2 -0.970 93.6 176.4-119.3 106.0 17.2 36.6 -8.5 11 417 A F E -a 254 0A 11 242,-1.9 244,-2.1 -2,-0.5 2,-0.4 -0.803 33.7-152.4-121.4 158.7 15.8 33.4 -7.2 12 418 A F E +a 255 0A 0 -2,-0.3 25,-0.4 242,-0.2 244,-0.2 -0.978 24.0 163.8-126.9 114.3 12.5 31.7 -6.1 13 419 A A - 0 0 2 242,-1.8 25,-0.2 -2,-0.4 26,-0.1 -0.717 20.3-161.3-135.1 78.7 13.0 29.0 -3.5 14 420 A P - 0 0 0 0, 0.0 25,-2.6 0, 0.0 2,-0.2 -0.185 26.7 -96.2 -66.8 157.8 9.7 28.2 -1.8 15 421 A Y E -cd 39 258B 4 242,-2.3 245,-3.2 23,-0.2 244,-0.5 -0.522 31.6-165.3 -76.1 134.2 9.5 26.3 1.5 16 422 A I E -c 40 0B 0 23,-2.5 25,-2.7 -2,-0.2 2,-1.1 -0.992 19.4-137.7-116.4 123.5 9.0 22.6 1.6 17 423 A D E > -c 41 0B 31 -2,-0.5 3,-1.4 1,-0.2 25,-0.2 -0.705 19.5-165.4 -78.1 102.8 7.9 21.1 5.0 18 424 A M T 3 S+ 0 0 3 23,-2.8 -1,-0.2 -2,-1.1 24,-0.2 0.663 77.2 66.1 -68.9 -17.9 10.2 18.0 4.8 19 425 A S T 3 S+ 0 0 44 22,-0.4 -1,-0.3 -3,-0.1 2,-0.1 0.550 72.9 113.7 -83.2 -9.7 8.4 16.2 7.6 20 426 A L X - 0 0 24 -3,-1.4 3,-1.7 1,-0.1 366,-0.0 -0.358 66.8-137.9 -67.8 139.6 5.1 15.7 5.8 21 427 A S T 3 S+ 0 0 76 366,-0.3 -1,-0.1 1,-0.3 -3,-0.0 0.777 104.3 63.2 -68.0 -21.5 4.1 12.2 4.9 22 428 A V T 3 S+ 0 0 64 365,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.480 75.8 143.7 -75.9 -3.6 2.9 13.5 1.5 23 429 A H < - 0 0 33 -3,-1.7 3,-0.1 -6,-0.1 -5,-0.1 -0.101 34.0-160.2 -48.8 120.5 6.5 14.5 0.7 24 430 A K - 0 0 61 1,-0.1 -1,-0.1 2,-0.1 5,-0.0 -0.606 35.4 -81.5 -90.5 161.2 7.4 13.9 -3.0 25 431 A P >> - 0 0 58 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.328 41.3-118.9 -55.8 143.2 11.0 13.6 -4.3 26 432 A L H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.880 114.7 57.0 -53.8 -40.0 12.6 17.1 -4.8 27 433 A V H 3> S+ 0 0 33 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 104.9 52.1 -62.1 -33.2 13.0 16.4 -8.5 28 434 A E H <> S+ 0 0 85 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.918 108.3 49.7 -68.8 -43.8 9.2 15.7 -8.8 29 435 A Y H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.879 107.7 56.0 -59.5 -38.0 8.4 19.0 -7.1 30 436 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.953 109.4 45.6 -57.9 -48.2 10.8 20.7 -9.5 31 437 A K H < S+ 0 0 128 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.890 119.6 40.4 -59.8 -42.4 8.8 19.2 -12.4 32 438 A L H < S+ 0 0 55 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.892 123.0 36.1 -78.6 -42.0 5.4 20.2 -10.9 33 439 A T H < S- 0 0 0 -4,-3.2 257,-0.2 2,-0.2 -3,-0.2 0.716 98.0-129.4 -83.1 -27.0 6.3 23.7 -9.5 34 440 A G S < S+ 0 0 17 -4,-2.0 2,-0.4 -5,-0.4 -4,-0.1 0.347 76.4 102.0 87.4 -7.4 8.6 24.8 -12.3 35 441 A T - 0 0 0 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.2 -0.917 52.2-165.6-108.5 139.7 11.4 25.8 -9.9 36 442 A K S S+ 0 0 34 -2,-0.4 40,-1.7 -3,-0.1 2,-0.4 0.184 70.2 83.7-105.4 17.3 14.4 23.6 -9.2 37 443 A Y E + e 0 76B 19 -25,-0.4 2,-0.3 38,-0.2 40,-0.2 -0.979 56.1 171.5-119.8 132.7 15.3 25.6 -6.0 38 444 A F E - e 0 77B 0 38,-1.3 40,-2.3 -2,-0.4 2,-0.6 -0.974 34.3-132.3-137.8 151.7 13.7 25.0 -2.7 39 445 A T E -ce 15 78B 0 -25,-2.6 -23,-2.5 -2,-0.3 2,-0.6 -0.925 30.2-143.8-100.3 115.6 14.1 26.0 1.0 40 446 A L E -ce 16 79B 0 38,-3.0 40,-3.0 -2,-0.6 2,-0.3 -0.730 26.7-121.7 -86.3 120.5 14.1 22.7 3.0 41 447 A A E -c 17 0B 0 -25,-2.7 -23,-2.8 -2,-0.6 -22,-0.4 -0.889 53.7 -2.8-124.3 147.7 12.2 23.2 6.3 42 448 A F E - 0 0 30 38,-0.3 13,-2.5 -2,-0.3 2,-0.5 0.674 34.9-179.1-125.6 147.9 12.9 22.9 9.2 43 449 A I E +Fe 54 81B 1 37,-2.4 39,-1.9 -3,-0.2 46,-0.3 -0.797 28.1 163.9 -83.8 129.7 15.9 21.7 11.2 44 450 A L E -F 53 0B 15 9,-2.7 9,-1.9 -2,-0.5 2,-0.4 -0.849 45.4 -77.5-133.7 173.4 15.3 21.8 15.0 45 451 A Y E -F 52 0B 18 42,-2.3 2,-0.5 -2,-0.3 277,-0.1 -0.632 40.9-157.0 -75.7 127.7 16.9 20.3 18.1 46 452 A S E >> -F 51 0B 0 5,-2.7 5,-1.4 -2,-0.4 4,-0.8 -0.925 10.2-162.1-102.8 124.7 16.0 16.6 18.6 47 453 A S T 45S+ 0 0 52 -2,-0.5 3,-0.2 9,-0.4 -1,-0.1 0.902 92.4 58.9 -72.2 -37.1 16.3 15.3 22.2 48 454 A V T 45S+ 0 0 63 8,-0.3 -1,-0.2 1,-0.2 9,-0.1 0.903 119.9 25.8 -53.1 -50.1 16.4 11.8 20.8 49 455 A Y T 45S- 0 0 104 2,-0.3 -1,-0.2 0, 0.0 -2,-0.2 0.464 101.6-130.9 -95.0 -0.8 19.4 12.4 18.7 50 456 A N T <5S+ 0 0 91 -4,-0.8 -3,-0.2 -3,-0.2 -2,-0.1 0.897 79.9 41.0 43.5 49.6 20.8 15.2 20.8 51 457 A G E -F 44 0B 0 -9,-1.9 -9,-2.7 6,-0.1 3,-1.5 -0.966 53.3 -81.7-158.5 158.3 17.0 16.7 12.9 54 460 A W E >> S-FG 43 58B 0 4,-2.3 3,-3.2 -2,-0.3 4,-2.9 -0.430 113.8 -6.3 -67.9 140.6 14.0 17.5 10.7 55 461 A A T 34 S- 0 0 41 -13,-2.5 -1,-0.3 1,-0.3 267,-0.2 0.676 125.8 -70.2 39.0 30.4 11.0 18.9 12.7 56 462 A G T <4 S+ 0 0 3 -3,-1.5 -9,-0.4 -14,-0.4 -8,-0.3 0.576 134.5 50.5 72.3 9.8 13.1 18.1 15.8 57 463 A S T <4 S+ 0 0 12 -3,-3.2 -2,-0.2 -11,-0.1 -1,-0.1 0.492 77.9 89.3-148.4 -16.1 12.6 14.3 15.2 58 464 A I B < S-G 54 0B 10 -4,-2.9 -4,-2.3 1,-0.1 -2,-0.2 -0.796 87.0 -89.0-105.6 134.1 13.4 12.9 11.7 59 465 A P > - 0 0 28 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.084 30.8-133.4 -51.9 133.9 17.0 11.8 10.8 60 466 A L G > S+ 0 0 7 -8,-0.5 3,-0.6 1,-0.3 -7,-0.1 0.850 102.5 50.3 -50.6 -44.1 19.2 14.6 9.5 61 467 A E G > S+ 0 0 122 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.379 77.4 105.2 -82.4 3.6 20.5 12.6 6.5 62 468 A K G < S+ 0 0 89 -3,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.832 84.3 40.4 -54.8 -37.5 17.1 11.3 5.3 63 469 A F G <> S+ 0 0 8 -3,-0.6 4,-2.1 -4,-0.2 -1,-0.3 0.259 79.3 105.9-103.0 12.9 17.0 13.6 2.3 64 470 A V H <> S+ 0 0 41 -3,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.923 83.5 48.2 -58.0 -47.2 20.6 13.5 1.1 65 471 A D H > S+ 0 0 96 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.878 109.4 53.3 -62.6 -39.0 19.7 11.3 -1.9 66 472 A E H > S+ 0 0 45 -4,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.883 109.7 48.3 -63.5 -38.6 16.8 13.6 -2.9 67 473 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.921 109.6 52.6 -68.7 -41.6 19.2 16.6 -2.9 68 474 A R H X S+ 0 0 114 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.931 110.9 47.5 -56.2 -45.5 21.7 14.6 -5.0 69 475 A E H X S+ 0 0 89 -4,-2.4 4,-0.5 1,-0.2 3,-0.2 0.880 110.1 51.8 -66.2 -37.7 19.0 13.8 -7.6 70 476 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-1.2 0.894 106.5 54.6 -62.8 -39.4 17.8 17.5 -7.6 71 477 A R H ><5S+ 0 0 36 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.784 95.3 68.5 -65.9 -26.1 21.4 18.6 -8.3 72 478 A E H 3<5S+ 0 0 132 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.722 103.1 44.2 -64.8 -22.6 21.5 16.2 -11.3 73 479 A I T <<5S- 0 0 56 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.179 130.1 -95.9-104.1 15.4 19.0 18.5 -13.1 74 480 A G T < 5S+ 0 0 20 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.516 80.0 139.8 88.3 4.9 20.9 21.6 -12.0 75 481 A G < - 0 0 0 -5,-2.3 2,-0.3 -6,-0.2 -70,-0.3 -0.197 28.9-170.6 -77.4 172.6 18.8 22.3 -8.9 76 482 A E E -e 37 0B 0 -40,-1.7 -38,-1.3 -72,-0.1 2,-0.3 -0.976 7.7-138.0-158.5 163.9 20.0 23.5 -5.5 77 483 A V E -e 38 0B 1 -2,-0.3 36,-0.5 -40,-0.2 2,-0.4 -0.866 9.3-144.8-130.5 159.4 18.6 24.0 -1.9 78 484 A I E -e 39 0B 2 -40,-2.3 -38,-3.0 -2,-0.3 2,-0.6 -0.981 26.6-139.0-113.8 132.2 18.7 26.4 1.0 79 485 A I E -eh 40 115B 0 35,-2.2 37,-2.7 -2,-0.4 2,-0.3 -0.861 20.4-153.9 -96.1 123.0 18.5 24.5 4.4 80 486 A A E - h 0 116B 0 -40,-3.0 -37,-2.4 -2,-0.6 2,-0.3 -0.769 9.2-164.4-104.4 144.8 16.2 26.2 6.9 81 487 A F E +eh 43 117B 9 35,-2.7 37,-3.0 -2,-0.3 2,-0.5 -0.892 55.5 9.2-117.3 145.6 16.3 26.2 10.7 82 488 A G E + h 0 118B 4 -39,-1.9 3,-0.3 -2,-0.3 2,-0.2 -0.765 57.7 166.3 102.2-126.6 13.6 27.2 13.2 83 489 A G E - h 0 119B 0 35,-2.9 37,-0.6 -2,-0.5 38,-0.3 -0.632 62.0 -29.8 101.1-159.6 10.0 28.0 12.2 84 490 A A S S+ 0 0 76 -2,-0.2 2,-0.3 36,-0.1 -1,-0.2 0.833 123.4 39.8 -68.8 -36.7 6.9 28.4 14.2 85 491 A V S S- 0 0 49 -3,-0.3 -3,-0.1 2,-0.1 36,-0.0 -0.878 78.9-146.4-116.5 145.4 7.7 26.0 17.0 86 492 A G + 0 0 17 -2,-0.3 236,-0.2 2,-0.1 237,-0.2 -0.175 65.9 130.2 -89.4-167.8 10.9 25.3 18.9 87 493 A P - 0 0 32 0, 0.0 -42,-2.3 0, 0.0 2,-0.1 0.330 56.9-168.0 -82.2 127.9 13.2 24.0 20.4 88 494 A Y >> - 0 0 6 -44,-0.2 4,-2.4 1,-0.1 3,-1.4 -0.481 32.7-118.6 -74.7 151.9 15.6 25.6 17.9 89 495 A L H 3> S+ 0 0 3 -46,-0.3 4,-2.7 1,-0.2 -1,-0.1 0.904 118.0 56.9 -51.3 -41.5 19.2 24.5 17.9 90 496 A C H 34 S+ 0 0 5 1,-0.2 34,-0.3 2,-0.2 -1,-0.2 0.622 109.7 44.9 -72.6 -11.8 20.1 28.0 18.9 91 497 A Q H <4 S+ 0 0 68 -3,-1.4 -1,-0.2 32,-0.1 -2,-0.2 0.820 116.5 43.6 -91.6 -43.2 17.9 27.8 21.9 92 498 A Q H < S+ 0 0 91 -4,-2.4 -2,-0.2 7,-0.0 -3,-0.2 0.839 90.3 97.2 -73.1 -36.2 19.0 24.3 23.1 93 499 A A < - 0 0 1 -4,-2.7 -5,-0.0 -5,-0.2 -42,-0.0 -0.304 59.8-155.4 -60.4 133.2 22.8 24.8 22.6 94 500 A S S S+ 0 0 105 1,-0.1 -1,-0.1 2,-0.0 -4,-0.0 0.798 77.8 22.7 -79.1 -28.5 24.6 25.8 25.8 95 501 A T S > S- 0 0 52 1,-0.1 4,-1.9 32,-0.0 5,-0.1 -0.937 77.0-117.9-134.0 156.7 27.5 27.5 23.9 96 502 A P H > S+ 0 0 24 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.770 115.7 60.0 -60.5 -27.8 28.0 29.1 20.5 97 503 A E H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.921 106.3 44.9 -66.6 -44.1 30.7 26.4 19.9 98 504 A Q H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.905 114.2 50.5 -62.7 -41.1 28.1 23.6 20.3 99 505 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.942 110.6 47.9 -64.8 -47.3 25.7 25.5 18.1 100 506 A A H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.882 108.0 56.2 -60.4 -39.9 28.3 26.1 15.4 101 507 A E H X S+ 0 0 117 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.903 109.6 46.5 -57.1 -42.1 29.2 22.4 15.5 102 508 A W H X S+ 0 0 14 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.929 112.6 48.0 -67.2 -46.6 25.5 21.5 14.9 103 509 A Y H X S+ 0 0 5 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.907 112.0 50.9 -59.6 -42.9 25.2 24.0 12.0 104 510 A I H X S+ 0 0 14 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.871 105.2 56.1 -65.5 -35.3 28.4 22.7 10.5 105 511 A K H X S+ 0 0 122 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.909 109.9 46.8 -60.4 -40.6 27.1 19.1 10.7 106 512 A V H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 6,-0.3 0.951 112.6 48.3 -66.5 -49.0 24.1 20.2 8.7 107 513 A I H X>S+ 0 0 1 -4,-2.6 5,-2.2 1,-0.2 4,-1.0 0.937 115.0 46.1 -53.6 -48.9 26.2 22.0 6.1 108 514 A D H <5S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.839 108.3 54.9 -68.5 -34.8 28.5 19.0 5.7 109 515 A T H <5S+ 0 0 45 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.898 123.7 26.1 -64.8 -38.1 25.7 16.4 5.5 110 516 A Y H <5S- 0 0 4 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.382 99.8-122.7-104.9 1.3 24.1 18.3 2.6 111 517 A N T <5 - 0 0 63 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.930 49.1-165.7 46.8 47.9 27.2 20.1 1.1 112 518 A A < - 0 0 0 -5,-2.2 -1,-0.1 -6,-0.3 3,-0.1 -0.302 30.6-176.7 -68.3 145.1 24.9 23.1 1.8 113 519 A T S S+ 0 0 31 -36,-0.5 30,-2.4 1,-0.3 2,-0.3 0.335 72.7 36.6-115.4 -0.2 25.8 26.5 0.2 114 520 A Y E - i 0 143B 13 28,-0.2 -35,-2.2 -37,-0.2 2,-0.3 -0.952 62.4-166.1-157.0 129.4 23.0 28.5 1.8 115 521 A L E -hi 79 144B 0 28,-2.7 30,-2.7 -2,-0.3 2,-0.4 -0.924 6.8-155.5-119.0 148.8 21.4 28.4 5.3 116 522 A D E -hi 80 145B 0 -37,-2.7 -35,-2.7 -2,-0.3 2,-0.7 -0.986 2.1-158.2-124.9 127.6 18.1 30.1 6.3 117 523 A F E -hi 81 146B 5 28,-2.5 30,-2.5 -2,-0.4 2,-1.2 -0.913 5.2-168.0-109.1 103.7 17.4 31.0 10.0 118 524 A A E -hi 82 147B 1 -37,-3.0 -35,-2.9 -2,-0.7 2,-0.9 -0.747 13.4-175.7 -92.8 87.7 13.6 31.3 10.4 119 525 A I E +h 83 0B 11 28,-1.5 -35,-0.1 -2,-1.2 4,-0.1 -0.771 26.2 143.4 -99.3 103.2 13.6 32.9 13.8 120 526 A E + 0 0 86 -2,-0.9 -1,-0.2 -37,-0.6 2,-0.1 0.716 58.6 63.1-106.8 -30.8 10.0 33.4 15.1 121 527 A A S S- 0 0 38 -38,-0.3 2,-0.2 1,-0.1 -38,-0.1 -0.450 99.6 -79.5 -93.2 165.0 10.6 32.7 18.8 122 528 A G + 0 0 72 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.447 59.1 169.6 -63.9 132.6 12.7 34.6 21.3 123 529 A I - 0 0 42 -2,-0.2 2,-1.0 -4,-0.1 3,-0.1 -0.886 45.4-100.5-137.0 170.3 16.4 33.8 21.1 124 530 A D > - 0 0 85 -34,-0.3 4,-2.1 -2,-0.3 3,-0.3 -0.848 34.8-171.6 -93.4 99.7 19.8 34.9 22.3 125 531 A A H > S+ 0 0 18 -2,-1.0 4,-2.7 1,-0.2 -1,-0.2 0.785 82.0 57.8 -66.3 -30.6 21.0 36.8 19.3 126 532 A D H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.892 107.7 46.4 -65.0 -43.4 24.5 37.2 20.8 127 533 A K H > S+ 0 0 34 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.915 113.2 49.9 -65.3 -43.6 24.9 33.5 21.0 128 534 A L H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.939 111.5 48.1 -60.0 -46.9 23.6 33.0 17.5 129 535 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.909 110.3 51.9 -60.6 -44.4 26.0 35.6 16.1 130 536 A D H X S+ 0 0 51 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.891 111.4 47.3 -59.6 -39.8 28.9 34.0 18.0 131 537 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.918 110.7 51.5 -66.3 -44.2 28.1 30.7 16.5 132 538 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.810 102.3 59.4 -68.4 -29.2 27.7 32.1 13.0 133 539 A L H X S+ 0 0 44 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.905 109.5 45.1 -59.2 -41.4 31.2 33.8 13.3 134 540 A I H X S+ 0 0 20 -4,-1.3 4,-2.5 -3,-0.3 5,-0.3 0.953 113.3 50.2 -64.4 -49.8 32.6 30.3 13.8 135 541 A V H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -2,-0.2 0.925 111.2 46.4 -57.8 -48.3 30.5 28.9 10.9 136 542 A Q H < S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.813 113.3 50.9 -69.2 -26.7 31.5 31.5 8.3 137 543 A R H < S+ 0 0 162 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.903 119.1 35.6 -71.4 -41.5 35.2 31.2 9.3 138 544 A E H < S+ 0 0 94 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.803 131.8 30.1 -83.7 -29.8 35.1 27.4 8.9 139 545 A R S >< S+ 0 0 49 -4,-3.1 3,-2.0 -5,-0.3 -1,-0.2 -0.623 70.4 169.1-128.3 66.6 32.7 27.3 6.0 140 546 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.561 71.2 61.4 -65.5 -7.9 33.4 30.6 4.1 141 547 A W T 3 S+ 0 0 134 2,-0.1 2,-0.5 -27,-0.0 -5,-0.1 0.435 81.0 102.5 -93.3 -3.4 31.4 29.6 1.0 142 548 A V < - 0 0 0 -3,-2.0 -28,-0.2 -7,-0.2 2,-0.2 -0.742 62.2-146.2 -92.0 122.5 28.1 29.3 2.9 143 549 A K E -i 114 0B 93 -30,-2.4 -28,-2.7 -2,-0.5 2,-0.5 -0.544 9.6-140.0 -84.5 149.9 25.6 32.2 2.6 144 550 A F E -i 115 0B 0 -30,-0.2 30,-1.8 -2,-0.2 31,-1.3 -0.956 15.6-173.0-116.0 130.4 23.3 33.1 5.5 145 551 A S E -ij 116 175B 0 -30,-2.7 -28,-2.5 -2,-0.5 2,-0.5 -0.906 10.4-153.3-115.5 145.5 19.6 34.1 5.1 146 552 A F E -ij 117 176B 0 29,-2.3 31,-3.2 -2,-0.3 2,-0.5 -0.985 6.5-167.0-124.1 118.2 17.4 35.5 8.0 147 553 A T E +ij 118 177B 2 -30,-2.5 -28,-1.5 -2,-0.5 -64,-0.2 -0.943 22.1 171.2-112.0 121.1 13.7 34.9 7.7 148 554 A L E - j 0 178B 0 29,-1.0 31,-2.8 -2,-0.5 -28,-0.1 -0.943 38.0 -93.4-140.9 147.1 11.7 37.0 10.2 149 555 A P E - j 0 179B 48 0, 0.0 8,-1.1 0, 0.0 2,-0.3 -0.233 48.5-177.8 -56.9 148.5 8.2 38.1 11.3 150 556 A S E -N 156 0C 13 29,-0.9 31,-0.2 31,-0.4 6,-0.2 -0.927 20.1-160.7-145.3 171.6 7.2 41.4 9.7 151 557 A D E >> -N 155 0C 32 4,-1.8 4,-3.1 -2,-0.3 3,-1.8 -0.972 29.2-124.6-157.5 137.8 4.3 43.9 9.7 152 558 A P T 34 S+ 0 0 11 0, 0.0 4,-0.1 0, 0.0 47,-0.1 0.605 110.0 57.7 -68.3 -8.9 3.4 46.6 7.2 153 559 A G T 34 S+ 0 0 52 2,-0.1 43,-0.0 1,-0.0 39,-0.0 0.650 127.1 9.3 -86.4 -17.6 3.4 49.2 9.9 154 560 A I T <4 S- 0 0 89 -3,-1.8 2,-0.4 1,-0.3 -1,-0.0 0.578 83.8-135.3-138.8 -17.1 7.0 48.6 11.0 155 561 A G E < S+N 151 0C 0 -4,-3.1 -4,-1.8 47,-0.0 -1,-0.3 -0.775 82.1 13.7 82.8-133.3 9.0 46.2 8.7 156 562 A L E S-N 150 0C 3 -2,-0.4 -6,-0.2 -6,-0.2 47,-0.0 -0.491 72.9-159.9 -70.4 147.7 10.9 43.7 10.8 157 563 A A S > S- 0 0 48 -8,-1.1 3,-2.0 -2,-0.1 4,-0.4 0.482 72.4 -18.1 -93.7-119.6 9.8 43.5 14.4 158 564 A G T >> S+ 0 0 63 1,-0.3 3,-1.0 2,-0.2 4,-0.9 0.768 129.1 74.6 -59.8 -25.0 12.2 42.0 17.1 159 565 A G H 3> S+ 0 0 7 1,-0.2 4,-1.9 -10,-0.2 -1,-0.3 0.755 81.0 70.3 -58.1 -23.8 14.0 40.4 14.1 160 566 A Y H <> S+ 0 0 41 -3,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.920 95.3 52.9 -59.8 -41.1 15.4 43.9 13.4 161 567 A G H <> S+ 0 0 26 -3,-1.0 4,-2.2 -4,-0.4 -1,-0.2 0.824 104.8 56.2 -61.7 -32.4 17.6 43.5 16.6 162 568 A I H X S+ 0 0 16 -4,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.943 110.0 43.4 -64.9 -47.5 18.9 40.2 15.2 163 569 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.905 112.0 54.0 -65.3 -43.0 20.1 41.8 12.0 164 570 A E H X S+ 0 0 96 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.923 110.4 47.7 -53.0 -45.8 21.5 44.7 14.0 165 571 A T H X S+ 0 0 42 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 111.2 50.7 -64.0 -47.1 23.5 42.2 16.1 166 572 A M H X>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 4,-1.2 0.935 111.5 47.0 -55.0 -51.2 24.7 40.3 13.1 167 573 A A H <5S+ 0 0 30 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.904 113.4 48.5 -60.8 -43.7 26.0 43.5 11.4 168 574 A K H <5S+ 0 0 173 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.900 112.9 47.8 -60.5 -43.6 27.7 44.7 14.6 169 575 A K H <5S- 0 0 54 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.633 116.2-113.2 -74.2 -17.4 29.4 41.3 15.1 170 576 A G T <5 + 0 0 46 -4,-1.2 2,-0.4 -3,-0.4 -3,-0.2 0.691 61.6 153.9 86.4 24.2 30.6 41.1 11.5 171 577 A V < - 0 0 5 -5,-2.7 -1,-0.3 -6,-0.2 -38,-0.1 -0.702 50.7-109.4 -83.1 133.5 28.4 38.1 10.6 172 578 A R - 0 0 73 -2,-0.4 2,-0.5 -40,-0.2 -1,-0.1 -0.354 27.8-162.9 -63.2 137.8 27.6 38.0 6.8 173 579 A V + 0 0 18 1,-0.1 -28,-0.1 -30,-0.0 3,-0.1 -0.881 20.0 163.6-124.4 95.2 24.0 38.9 6.0 174 580 A D + 0 0 42 -30,-1.8 2,-0.3 -2,-0.5 -29,-0.2 0.779 67.1 17.4 -83.5 -27.2 23.3 37.6 2.5 175 581 A R E -j 145 0B 3 -31,-1.3 -29,-2.3 2,-0.0 2,-0.5 -0.985 52.0-164.5-151.8 132.5 19.5 37.7 2.6 176 582 A V E -jk 146 220B 0 43,-3.1 45,-2.4 -2,-0.3 -29,-0.2 -0.991 19.2-176.1-118.9 118.4 16.9 39.4 4.8 177 583 A N E -j 147 0B 0 -31,-3.2 -29,-1.0 -2,-0.5 45,-0.2 -0.764 9.4-157.7-127.6 80.3 13.5 37.7 4.1 178 584 A P E -j 148 0B 0 0, 0.0 45,-2.2 0, 0.0 2,-1.0 -0.334 21.6-125.3 -60.0 140.0 10.5 39.1 5.9 179 585 A M E -jl 149 223B 16 -31,-2.8 2,-1.8 43,-0.2 -29,-0.9 -0.801 22.1-159.7 -85.3 101.1 7.5 36.8 6.3 180 586 A T + 0 0 1 43,-1.2 45,-0.5 -2,-1.0 2,-0.3 -0.523 56.0 86.6 -88.1 72.1 4.8 38.9 4.8 181 587 A M + 0 0 27 -2,-1.8 -31,-0.4 -31,-0.2 -2,-0.1 -0.973 62.5 33.9-160.5 157.5 2.0 37.1 6.5 182 588 A D + 0 0 38 -2,-0.3 -1,-0.1 1,-0.1 -3,-0.0 0.872 51.5 150.9 59.2 49.3 -0.2 36.8 9.5 183 589 A Y - 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0 0 20 12,-1.8 3,-0.1 9,-0.1 14,-0.1 -0.961 46.4 -46.2-157.6 175.3 1.1 30.9 26.8 568 673 B P S > S- 0 0 73 0, 0.0 3,-1.9 0, 0.0 8,-0.0 -0.246 78.6 -92.4 -50.2 128.1 0.4 34.0 24.8 569 674 B T T 3 S+ 0 0 126 1,-0.3 10,-0.2 3,-0.0 9,-0.1 -0.135 102.5 2.9 -53.1 128.1 -3.3 34.5 24.7 570 675 B G T 3 S+ 0 0 35 8,-2.0 2,-0.4 1,-0.2 -1,-0.3 0.487 91.9 133.8 78.9 4.1 -5.1 32.9 21.7 571 676 B E < - 0 0 110 -3,-1.9 2,-0.5 -4,-0.0 -1,-0.2 -0.765 50.0-138.0 -93.3 131.9 -2.0 31.3 20.1 572 677 B V + 0 0 62 -2,-0.4 5,-0.1 -3,-0.1 -42,-0.1 -0.760 39.6 146.6 -91.2 126.3 -2.3 27.7 18.9 573 678 B S - 0 0 20 3,-0.6 3,-0.3 -2,-0.5 -488,-0.0 -0.982 55.1-129.9-154.1 151.6 0.8 25.6 19.8 574 679 B P S S+ 0 0 40 0, 0.0 -256,-0.1 0, 0.0 3,-0.1 0.496 108.9 54.0 -78.7 -3.1 1.7 22.0 20.7 575 680 B L S S+ 0 0 52 1,-0.2 2,-0.3 -12,-0.1 -12,-0.1 0.452 117.6 11.4-113.7 -6.0 3.8 23.4 23.7 576 681 B H - 0 0 28 -3,-0.3 -3,-0.6 -12,-0.1 -12,-0.2 -0.950 65.2-124.0-162.4 171.7 1.2 25.5 25.5 577 682 B R - 0 0 0 -12,-2.4 -48,-2.8 -2,-0.3 -7,-0.2 0.257 42.1-117.1-115.2 9.3 -2.6 26.2 25.5 578 683 B G S S+ 0 0 2 -13,-0.3 -8,-2.0 1,-0.2 2,-0.3 0.782 79.9 102.7 62.6 28.5 -2.8 30.0 24.9 579 684 B T S S- 0 0 16 -14,-0.4 -12,-1.8 -10,-0.2 -2,-0.2 -0.829 78.3-115.2-129.9 174.9 -4.5 30.7 28.3 580 685 B N + 0 0 139 -2,-0.3 -2,-0.0 -14,-0.2 -11,-0.0 0.426 68.6 123.5 -92.4 -0.2 -3.2 32.1 31.6 581 686 B D - 0 0 24 -16,-0.1 -2,-0.2 1,-0.1 -4,-0.1 -0.321 67.1-104.3 -68.7 143.3 -3.7 29.1 33.8 582 687 B P > - 0 0 90 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.088 54.2 -61.9 -66.8 166.9 -0.5 27.8 35.6 583 688 B D T 3 S+ 0 0 89 1,-0.3 -18,-0.2 2,-0.1 -19,-0.0 -0.165 121.3 2.5 -48.0 132.5 1.5 24.7 34.6 584 689 B W T 3> S+ 0 0 20 -20,-2.8 4,-2.3 -23,-0.2 -1,-0.3 0.540 86.6 134.8 69.2 12.9 -0.6 21.5 34.8 585 690 B A H <> S+ 0 0 13 -3,-2.1 4,-1.6 1,-0.2 5,-0.1 0.888 73.1 45.3 -61.8 -42.0 -3.8 23.3 35.9 586 691 B F H > S+ 0 0 0 -4,-0.3 4,-2.7 2,-0.2 5,-0.2 0.921 110.6 53.9 -69.1 -41.5 -6.0 21.3 33.5 587 692 B S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.918 107.5 51.8 -55.7 -45.7 -4.4 18.0 34.4 588 693 B H H X S+ 0 0 95 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.857 111.1 47.0 -63.8 -34.7 -5.1 18.7 38.1 589 694 B V H >< S+ 0 0 14 -4,-1.6 3,-1.0 1,-0.2 4,-0.4 0.931 112.6 48.3 -69.9 -48.4 -8.8 19.4 37.4 590 695 B F H >X S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 4,-0.7 0.840 100.4 65.8 -63.0 -33.8 -9.3 16.3 35.2 591 696 B V H 3X S+ 0 0 8 -4,-2.3 4,-2.3 1,-0.3 3,-0.5 0.823 87.8 70.6 -57.4 -30.1 -7.6 14.0 37.8 592 697 B K H <>S+ 0 0 1 -4,-0.7 5,-1.6 -3,-0.5 3,-1.4 0.880 109.9 58.4 -69.1 -38.8 -10.6 9.6 38.5 595 700 B E H ><5S+ 0 0 99 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.854 95.0 65.7 -59.6 -34.5 -10.2 10.4 42.2 596 701 B A T 3<5S+ 0 0 53 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.784 103.7 47.3 -57.4 -28.0 -14.0 10.3 42.6 597 702 B F T < 5S- 0 0 66 -3,-1.4 -1,-0.3 -4,-0.5 -286,-0.2 0.005 135.1 -73.6-113.0 25.9 -13.9 6.6 41.8 598 703 B G T < 5S+ 0 0 62 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.206 81.5 140.6 117.2 -10.8 -11.0 5.4 44.0 599 704 B Y < + 0 0 18 -5,-1.6 2,-0.3 -8,-0.1 -1,-0.3 -0.393 19.1 171.3 -71.0 139.4 -7.8 6.7 42.5 600 705 B T 0 0 115 -2,-0.1 0, 0.0 -6,-0.0 0, 0.0 -0.990 360.0 360.0-142.9 141.2 -5.0 8.1 44.7 601 706 B F 0 0 124 -2,-0.3 -2,-0.0 -269,-0.0 -265,-0.0 -0.994 360.0 360.0-139.9 360.0 -1.5 9.0 43.8