==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JAN-01 1HWJ . COMPND 2 MOLECULE: HMG-COA REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.S.ISTVAN,J.DEISENHOFER . 1608 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 53345.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1191 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 263 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.7 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 . 4 0.2 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 . 106 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 170 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 535 33.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 42 2.6 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 7 4 8 0 0 5 2 8 10 5 2 0 0 0 4 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 11 4 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 0 PARALLEL BRIDGES PER LADDER . 0 0 12 0 0 0 12 5 5 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 . 0 0 0 8 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 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 1 442 A P 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 86.9 43.9 30.9 -10.1 2 443 A R - 0 0 105 1,-0.1 11,-0.0 2,-0.1 2,-0.0 -0.164 360.0 -94.9 -66.5 155.1 44.8 33.3 -7.3 3 444 A P >> - 0 0 73 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.285 34.0-110.4 -66.0 157.2 46.9 32.3 -4.2 4 445 A N T 34 S+ 0 0 53 1,-0.2 4,-0.2 2,-0.2 -2,-0.1 0.757 111.3 61.7 -63.2 -31.6 45.2 31.2 -0.9 5 446 A E T >4 S+ 0 0 176 1,-0.2 3,-0.6 2,-0.2 -1,-0.2 0.847 108.4 44.8 -65.8 -32.8 46.2 34.3 1.2 6 447 A E G X4 S+ 0 0 108 -3,-0.7 3,-1.0 1,-0.2 -1,-0.2 0.842 101.0 68.9 -76.8 -36.7 44.2 36.5 -1.2 7 448 A C G 3< S+ 0 0 9 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.408 70.7 93.3 -66.2 2.8 41.2 34.2 -1.3 8 449 A L G < S+ 0 0 125 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.471 70.3 83.6 -76.7 -0.4 40.2 34.9 2.3 9 450 A Q < 0 0 100 -3,-1.0 -2,-0.1 1,-0.1 -3,-0.0 0.702 360.0 360.0 -69.6-125.3 37.8 37.6 1.2 10 451 A I 0 0 178 25,-0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.725 360.0 360.0-133.9 360.0 34.3 36.7 0.1 11 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 12 462 A L 0 0 54 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0-106.6 35.3 34.3 -5.5 13 463 A S > - 0 0 45 1,-0.1 4,-1.5 -11,-0.0 5,-0.1 -0.736 360.0-124.4-103.7 156.6 36.2 31.9 -8.3 14 464 A D H >> S+ 0 0 44 -2,-0.3 4,-1.9 1,-0.2 3,-0.7 0.960 110.9 44.9 -62.6 -57.1 35.2 28.2 -8.7 15 465 A A H 3> S+ 0 0 56 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.746 112.3 57.6 -60.9 -21.7 38.7 26.7 -9.0 16 466 A E H 3> S+ 0 0 7 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.820 103.5 48.7 -78.9 -34.7 39.7 29.0 -6.1 17 467 A I H S+ 0 0 8 -4,-2.7 5,-1.7 2,-0.2 4,-0.3 0.952 113.1 43.9 -67.2 -52.0 38.8 23.6 0.4 22 472 A N H <5S+ 0 0 88 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.830 119.7 44.8 -62.8 -34.1 41.7 21.2 -0.4 23 473 A A H <5S+ 0 0 44 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.2 0.958 118.0 36.2 -77.8 -56.9 44.2 23.5 1.3 24 474 A K T <5S- 0 0 141 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.270 108.1-123.7 -82.5 14.0 42.5 24.6 4.6 25 475 A H T 5 + 0 0 162 -4,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.901 44.5 174.0 42.1 61.0 41.0 21.1 4.8 26 476 A I < - 0 0 45 -5,-1.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.852 34.8-115.4 -97.3 125.2 37.4 22.2 4.9 27 477 A P > - 0 0 49 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.359 20.2-123.8 -60.4 139.4 34.8 19.3 4.8 28 478 A A G > S+ 0 0 37 1,-0.3 3,-1.4 2,-0.1 4,-0.1 0.729 104.9 70.9 -56.7 -25.0 32.6 19.4 1.7 29 479 A Y G 3 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.549 88.4 62.5 -73.0 -5.3 29.5 19.4 3.8 30 480 A K G X S+ 0 0 101 -3,-1.9 3,-0.9 1,-0.2 -1,-0.3 0.259 72.2 102.1-100.8 11.4 30.1 23.0 5.0 31 481 A L G X> S+ 0 0 2 -3,-1.4 4,-1.9 1,-0.2 3,-0.9 0.702 70.2 63.8 -67.9 -22.0 29.9 24.4 1.4 32 482 A E G 34 S+ 0 0 33 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.763 104.0 48.5 -73.5 -23.7 26.3 25.7 2.0 33 483 A T G <4 S+ 0 0 128 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.272 115.6 44.1 -98.0 9.5 27.7 28.1 4.6 34 484 A L T <4 S+ 0 0 85 -3,-0.9 -2,-0.2 -4,-0.0 -3,-0.1 0.732 101.2 60.7-119.6 -48.0 30.6 29.3 2.3 35 485 A I S < S- 0 0 16 -4,-1.9 6,-0.1 2,-0.1 -1,-0.0 -0.399 78.8-116.2 -88.1 165.1 29.3 30.0 -1.2 36 486 A E S S+ 0 0 130 -2,-0.1 -1,-0.1 -3,-0.1 2,-0.1 0.866 90.0 31.4 -65.3 -48.5 26.6 32.4 -2.4 37 487 A T S S- 0 0 78 1,-0.1 -2,-0.1 0, 0.0 4,-0.0 -0.095 72.3-126.4 -97.8-165.4 23.8 30.2 -3.9 38 488 A H S > S+ 0 0 65 2,-0.1 4,-1.9 3,-0.1 3,-0.3 0.650 110.0 55.9-107.0 -43.3 22.7 26.7 -2.9 39 489 A E H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 5,-0.0 0.741 106.8 50.7 -59.7 -29.1 23.1 25.3 -6.4 40 490 A R H > S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.818 104.3 55.5 -81.2 -32.9 26.7 26.4 -6.4 41 491 A G H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.929 112.6 45.7 -62.2 -38.7 27.5 24.7 -3.1 42 492 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.924 110.7 51.6 -67.3 -48.8 26.2 21.6 -4.9 43 493 A S H X S+ 0 0 20 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.891 112.0 46.5 -57.2 -44.5 28.1 22.2 -8.1 44 494 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.912 110.9 52.3 -65.2 -44.5 31.4 22.6 -6.1 45 495 A R H X S+ 0 0 6 -4,-2.1 4,-3.3 -5,-0.2 -2,-0.2 0.924 109.4 50.0 -57.2 -43.1 30.7 19.5 -4.0 46 496 A R H X S+ 0 0 26 -4,-2.7 4,-3.3 1,-0.2 -1,-0.2 0.938 111.2 49.2 -61.0 -44.9 30.1 17.5 -7.2 47 497 A Q H X S+ 0 0 75 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.863 112.9 46.4 -63.4 -38.1 33.4 18.9 -8.6 48 498 A L H >X S+ 0 0 19 -4,-2.7 3,-1.0 2,-0.2 4,-0.6 0.957 115.9 46.1 -67.4 -46.8 35.2 17.9 -5.4 49 499 A L H >< S+ 0 0 10 -4,-3.3 3,-1.3 1,-0.2 -2,-0.2 0.890 102.5 66.9 -60.0 -43.3 33.6 14.5 -5.4 50 500 A S H >< S+ 0 0 24 -4,-3.3 3,-0.7 1,-0.3 -1,-0.2 0.682 96.0 53.4 -53.4 -29.9 34.3 14.0 -9.2 51 501 A K H << S+ 0 0 179 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.756 100.6 61.7 -79.4 -25.2 38.1 13.8 -8.7 52 502 A K T << S+ 0 0 143 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.337 92.5 92.5 -82.8 8.3 37.7 11.0 -6.1 53 503 A L S < S- 0 0 25 -3,-0.7 717,-0.1 -4,-0.1 718,-0.1 -0.469 75.2-134.0-102.2 168.7 36.1 8.7 -8.6 54 504 A S S S+ 0 0 100 1,-0.3 -1,-0.1 715,-0.2 716,-0.1 0.666 111.1 38.9 -88.7 -23.1 37.3 6.0 -11.0 55 505 A E S > S- 0 0 70 714,-0.2 3,-2.1 715,-0.1 -1,-0.3 -0.906 76.2-166.9-127.3 93.9 35.1 7.5 -13.7 56 506 A P T 3 S+ 0 0 88 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.678 88.0 52.4 -56.2 -21.3 35.4 11.3 -13.2 57 507 A S T > S+ 0 0 75 1,-0.2 3,-1.4 2,-0.1 4,-0.2 0.209 73.5 108.5-102.3 16.2 32.4 11.8 -15.5 58 508 A S T < S+ 0 0 0 -3,-2.1 3,-0.5 1,-0.3 712,-0.2 0.822 76.2 54.9 -64.0 -27.1 30.1 9.4 -13.7 59 509 A L T > S+ 0 0 5 -3,-0.3 3,-2.3 1,-0.2 -1,-0.3 0.499 75.7 108.5 -82.4 -5.1 27.9 12.3 -12.4 60 510 A Q T < S+ 0 0 127 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.806 85.9 33.8 -39.8 -48.5 27.4 13.7 -15.9 61 511 A Y T 3 S+ 0 0 124 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.325 87.6 108.3 -97.7 8.2 23.7 12.7 -16.0 62 512 A L S < S- 0 0 2 -3,-2.3 22,-0.1 704,-0.1 -3,-0.0 -0.772 72.1-131.7 -85.5 109.0 22.8 13.1 -12.3 63 513 A P + 0 0 35 0, 0.0 20,-2.1 0, 0.0 -2,-0.1 -0.230 44.9 150.5 -61.5 147.2 20.6 16.3 -12.5 64 514 A Y > + 0 0 28 18,-0.3 3,-0.7 20,-0.0 2,-0.1 0.416 37.6 103.2-149.2 -21.7 21.3 19.1 -10.0 65 515 A R T 3 S+ 0 0 147 1,-0.2 3,-0.1 3,-0.0 -1,-0.0 -0.417 83.0 9.5 -77.0 145.8 20.2 22.4 -11.6 66 516 A D T 3 S+ 0 0 152 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.629 85.7 140.0 65.1 19.5 17.1 24.3 -10.9 67 517 A Y < - 0 0 24 -3,-0.7 2,-2.1 1,-0.1 -1,-0.2 -0.761 61.8-116.9 -94.4 140.8 16.1 22.3 -7.8 68 518 A N > + 0 0 73 -2,-0.4 3,-0.9 1,-0.2 4,-0.4 -0.468 43.3 165.8 -75.3 76.6 14.7 24.1 -4.8 69 519 A Y G >> + 0 0 5 -2,-2.1 4,-2.6 1,-0.2 3,-0.6 0.660 58.2 84.7 -66.7 -18.1 17.5 23.2 -2.3 70 520 A S G 34 S+ 0 0 55 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.897 94.6 41.2 -51.2 -46.8 16.2 25.9 0.1 71 521 A L G <4 S+ 0 0 65 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.674 115.2 53.2 -76.8 -17.8 13.6 23.5 1.6 72 522 A V T X>>S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.4 3,-1.6 0.856 86.5 90.8 -84.9 -41.2 16.1 20.5 1.6 73 523 A M T 3<5S+ 0 0 43 -4,-2.6 5,-0.1 1,-0.3 437,-0.0 -0.336 102.9 2.7 -62.9 134.7 19.0 22.1 3.5 74 524 A G T 345S+ 0 0 82 3,-0.4 -1,-0.3 1,-0.1 4,-0.1 0.679 135.0 52.2 63.5 21.1 19.0 21.6 7.2 75 525 A A T <45S+ 0 0 52 -3,-1.6 435,-0.8 2,-0.3 -2,-0.2 0.541 113.9 13.7-148.9 -43.8 15.8 19.4 7.0 76 526 A C T <5S+ 0 0 2 -4,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.647 114.8 7.4-121.0 -19.9 15.8 16.5 4.5 77 527 A C < - 0 0 0 -5,-1.3 -3,-0.4 431,-0.2 -2,-0.3 -0.993 51.9-147.0-162.9 156.3 19.3 15.7 3.3 78 528 A E S S+ 0 0 32 -2,-0.3 412,-0.4 1,-0.2 3,-0.2 -0.866 77.1 23.1-126.7 164.7 23.1 16.4 3.7 79 529 A N S S- 0 0 15 -2,-0.3 411,-0.8 410,-0.2 -1,-0.2 0.893 83.7-162.9 46.1 47.6 26.1 16.4 1.4 80 530 A V E +A 489 0A 0 409,-0.2 409,-0.2 -3,-0.2 -1,-0.2 -0.401 28.2 170.1 -66.7 130.2 23.7 17.0 -1.5 81 531 A I E - 0 0 0 407,-2.6 2,-0.3 1,-0.3 408,-0.1 0.179 63.1 -62.9-123.0 12.5 25.0 16.4 -5.0 82 532 A G E -A 488 0A 0 406,-0.6 406,-2.2 -18,-0.1 2,-0.3 -0.985 62.0 -73.9 142.5-152.8 21.8 16.6 -6.9 83 533 A Y E -A 487 0A 22 -20,-2.1 423,-0.1 -2,-0.3 -16,-0.0 -0.986 24.8-127.4-147.9 154.7 18.5 14.8 -7.1 84 534 A M E -A 486 0A 0 402,-2.7 402,-1.8 -2,-0.3 2,-0.5 -0.914 21.9-143.7-108.1 115.2 17.1 11.5 -8.4 85 535 A P E -A 485 0A 2 0, 0.0 679,-0.1 0, 0.0 -2,-0.0 -0.653 14.3-168.8 -79.7 124.8 14.1 11.7 -10.7 86 536 A I E -A 484 0A 10 398,-1.9 398,-2.8 -2,-0.5 22,-0.1 -0.959 29.6-113.3-113.3 122.6 11.5 8.9 -10.3 87 537 A P E -A 483 0A 0 0, 0.0 20,-1.8 0, 0.0 2,-0.5 -0.226 28.2-148.7 -55.3 136.6 8.8 8.6 -13.0 88 538 A V E -AB 482 106A 0 394,-2.1 393,-2.7 18,-0.2 394,-0.6 -0.960 17.7-178.8-112.7 119.2 5.4 9.4 -11.6 89 539 A G E -AB 480 105A 0 16,-3.0 16,-2.6 -2,-0.5 2,-0.4 -0.601 19.2-128.5-107.7 172.0 2.4 7.6 -13.2 90 540 A V E - B 0 104A 12 389,-0.8 2,-0.4 388,-0.4 27,-0.1 -0.988 16.3-170.2-130.7 133.7 -1.3 8.0 -12.4 91 541 A A E - B 0 103A 0 12,-2.2 12,-2.5 -2,-0.4 3,-0.2 -0.973 36.1 -42.6-120.8 134.1 -3.9 5.3 -11.6 92 542 A G E - 0 0 19 -2,-0.4 2,-0.2 1,-0.3 10,-0.2 -0.916 44.5 -89.5 152.1-175.1 -7.6 6.0 -11.4 93 543 A P E - 0 0 50 0, 0.0 2,-0.7 0, 0.0 -1,-0.3 0.433 54.6-163.9 -69.7 149.3 -10.2 7.1 -10.8 94 544 A L E - B 0 101A 0 7,-2.3 7,-1.8 -3,-0.2 2,-1.1 -0.944 9.7-148.0-105.9 113.7 -10.3 5.1 -7.5 95 545 A C E + B 0 100A 24 -2,-0.7 34,-3.1 25,-0.3 2,-0.4 -0.758 33.1 160.8 -87.1 101.4 -13.9 5.1 -6.3 96 546 A L E > -cB 129 99A 0 3,-1.5 3,-1.1 -2,-1.1 34,-0.2 -0.980 63.3 -16.2-131.7 124.3 -13.5 5.0 -2.6 97 547 A D T 3 S- 0 0 27 32,-3.2 -1,-0.1 -2,-0.4 33,-0.1 0.895 127.0 -53.4 51.1 44.3 -16.1 6.0 0.0 98 548 A E T 3 S+ 0 0 206 31,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.673 120.7 100.0 68.0 19.2 -18.2 7.7 -2.6 99 549 A K E < -B 96 0A 97 -3,-1.1 -3,-1.5 -5,-0.1 2,-0.4 -0.773 67.3-127.6-124.3 170.5 -15.3 9.9 -3.8 100 550 A E E -B 95 0A 131 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.989 22.3-169.0-124.5 129.5 -12.9 9.6 -6.8 101 551 A F E -B 94 0A 15 -7,-1.8 -7,-2.3 -2,-0.4 2,-0.7 -0.934 18.7-150.8-121.3 142.3 -9.2 9.8 -6.4 102 552 A Q E - 0 0 21 268,-0.4 -10,-0.2 -2,-0.4 -2,-0.0 -0.944 29.5-147.7-108.4 103.5 -6.4 10.1 -9.0 103 553 A V E -B 91 0A 0 -12,-2.5 -12,-2.2 -2,-0.7 2,-0.3 -0.661 2.8-145.3 -86.0 116.5 -3.5 8.2 -7.4 104 554 A P E -B 90 0A 0 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 -0.604 18.0-171.9 -77.2 134.5 0.1 9.4 -8.0 105 555 A M E -B 89 0A 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.8 -0.948 12.5-158.2-136.4 112.8 2.6 6.5 -8.1 106 556 A A E +B 88 0A 1 203,-2.2 2,-0.3 -2,-0.4 -18,-0.2 -0.804 40.1 131.4 -92.3 112.1 6.4 7.0 -8.3 107 557 A T - 0 0 16 -20,-1.8 -2,-0.1 -2,-0.8 369,-0.1 -0.969 53.1-153.4-157.4 163.7 8.0 3.8 -9.7 108 558 A T + 0 0 18 -2,-0.3 2,-0.7 -22,-0.1 369,-0.2 0.126 67.0 108.6-125.2 15.2 10.4 2.3 -12.2 109 559 A E S > S- 0 0 67 648,-0.1 3,-1.6 196,-0.1 4,-0.4 -0.856 71.0-124.3 -99.2 113.2 8.7 -1.1 -12.5 110 560 A G T 3 S+ 0 0 28 365,-0.8 366,-0.1 -2,-0.7 367,-0.1 -0.218 87.7 12.7 -58.7 138.4 6.9 -1.6 -15.8 111 561 A C T 3> S+ 0 0 86 1,-0.0 4,-2.8 4,-0.0 5,-0.3 0.311 94.1 108.1 79.5 -5.7 3.2 -2.4 -15.9 112 562 A L H <> S+ 0 0 6 -3,-1.6 4,-2.4 2,-0.2 5,-0.2 0.970 83.9 38.9 -65.6 -54.1 2.7 -1.6 -12.2 113 563 A V H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.939 118.8 50.3 -61.3 -44.7 0.8 1.6 -12.8 114 564 A A H > S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.935 112.3 44.8 -59.5 -50.1 -1.1 0.0 -15.7 115 565 A S H X S+ 0 0 34 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12.8 135 585 A A E -F 255 0B 35 120,-1.1 120,-2.4 117,-0.0 2,-0.3 -0.979 54.4-160.9-161.3 156.0 -7.1 2.7 14.9 136 586 A D E +F 254 0B 4 -2,-0.3 118,-0.2 118,-0.2 2,-0.2 -0.930 36.0 116.2-148.5 115.1 -4.7 5.6 14.8 137 587 A G E -F 253 0B 0 116,-2.0 116,-2.8 -2,-0.3 63,-0.2 -0.555 42.8-143.6 175.9 114.7 -1.5 5.9 16.9 138 588 A M E -J 199 0C 3 61,-1.9 61,-2.4 114,-0.2 2,-0.3 -0.416 29.5-150.6 -76.6 155.1 2.2 6.1 16.2 139 589 A T E -J 198 0C 0 59,-0.2 2,-0.3 -2,-0.1 59,-0.2 -0.903 22.0-169.0-131.6 162.3 4.5 4.3 18.7 140 590 A R E -J 197 0C 32 57,-1.5 57,-2.8 -2,-0.3 94,-0.1 -0.963 11.0-162.1-145.9 128.4 8.0 4.4 20.2 141 591 A G - 0 0 0 -2,-0.3 94,-2.5 55,-0.2 96,-1.3 -0.595 11.9-176.1-121.3 78.5 9.2 1.6 22.3 142 592 A P - 0 0 0 0, 0.0 53,-1.9 0, 0.0 2,-0.5 -0.152 19.7-132.5 -66.0 158.6 12.3 2.4 24.6 143 593 A V E +KL 194 232C 1 89,-2.1 89,-1.7 51,-0.2 88,-1.1 -0.969 25.3 179.6-117.0 125.1 14.1 -0.1 26.7 144 594 A V E -KL 193 230C 0 49,-2.6 49,-2.6 -2,-0.5 2,-0.4 -0.803 13.8-143.5-116.3 163.2 14.9 0.8 30.3 145 595 A R E -KL 192 229C 16 84,-2.7 84,-3.2 -2,-0.3 47,-0.2 -0.986 9.1-167.7-132.9 142.1 16.7 -1.3 33.0 146 596 A L - 0 0 5 45,-2.1 82,-0.1 -2,-0.4 3,-0.1 -0.725 39.0-107.2-116.7 164.9 16.2 -1.7 36.7 147 597 A P S S+ 0 0 49 0, 0.0 2,-0.3 0, 0.0 44,-0.1 0.867 100.0 16.6 -63.0 -37.6 18.7 -3.4 39.1 148 598 A R S >> S- 0 0 98 43,-0.1 4,-2.2 42,-0.1 3,-0.6 -0.940 74.2-117.2-134.9 159.5 16.5 -6.5 39.5 149 599 A A H 3> S+ 0 0 1 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.846 116.3 61.0 -62.6 -33.1 13.5 -8.2 37.7 150 600 A C H 3> S+ 0 0 18 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.851 106.5 46.2 -62.5 -34.4 11.5 -7.6 41.0 151 601 A D H <> S+ 0 0 42 -3,-0.6 4,-2.4 2,-0.2 -2,-0.2 0.924 110.9 49.7 -74.6 -46.6 12.1 -3.9 40.5 152 602 A S H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.907 110.0 53.2 -60.2 -33.9 11.2 -3.9 36.8 153 603 A A H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.895 107.5 51.5 -65.5 -39.6 8.0 -5.8 37.8 154 604 A E H X S+ 0 0 114 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.923 109.6 49.1 -62.9 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5.9 37.5 165 615 A F H X S+ 0 0 52 -4,-2.2 4,-3.4 -7,-0.3 5,-0.2 0.935 109.2 53.7 -62.0 -47.1 -0.6 6.1 34.0 166 616 A A H X S+ 0 0 55 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.893 108.1 50.8 -54.4 -43.4 -2.2 9.6 34.6 167 617 A V H X S+ 0 0 32 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.925 114.9 42.7 -61.8 -44.9 1.2 10.9 35.9 168 618 A I H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.893 112.6 52.9 -68.3 -43.0 3.0 9.6 32.8 169 619 A K H X S+ 0 0 63 -4,-3.4 4,-3.1 2,-0.2 12,-0.3 0.914 108.4 50.8 -59.7 -41.8 0.2 10.8 30.4 170 620 A E H X S+ 0 0 147 -4,-2.5 4,-1.5 -5,-0.2 -2,-0.2 0.946 112.8 45.5 -62.2 -47.3 0.4 14.3 31.8 171 621 A A H < S+ 0 0 4 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.886 115.9 46.5 -62.5 -41.9 4.2 14.4 31.4 172 622 A F H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.927 112.9 48.7 -66.3 -47.9 3.9 13.0 27.8 173 623 A D H >< S+ 0 0 26 -4,-3.1 3,-1.1 1,-0.2 6,-0.2 0.699 95.5 72.1 -68.9 -20.3 1.1 15.3 26.8 174 624 A S T 3< S+ 0 0 81 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.717 85.9 69.8 -69.7 -18.1 2.8 18.5 28.0 175 625 A T T < S- 0 0 27 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.2 0.627 110.9 -0.4 -75.8 -17.3 5.3 18.3 25.1 176 626 A S < - 0 0 41 -3,-1.1 -1,-0.1 3,-0.2 3,-0.1 -0.982 63.6-113.7-167.7 159.3 2.9 19.1 22.3 177 627 A R S S+ 0 0 183 -2,-0.3 25,-0.1 1,-0.2 -1,-0.1 0.732 117.1 43.3 -72.1 -22.9 -0.7 20.0 21.4 178 628 A F S S+ 0 0 61 23,-0.1 2,-0.7 -3,-0.0 24,-0.3 0.646 83.5 109.9 -97.4 -14.3 -1.2 16.7 19.4 179 629 A A + 0 0 0 -6,-0.2 2,-0.4 22,-0.1 -3,-0.2 -0.478 36.6 161.8 -66.4 104.2 0.6 14.5 22.0 180 630 A R E -M 200 0C 123 -2,-0.7 20,-0.8 20,-0.7 2,-0.4 -0.814 33.0-142.8-128.5 89.3 -2.3 12.4 23.4 181 631 A L E +M 199 0C 2 -2,-0.4 18,-0.2 -12,-0.3 3,-0.1 -0.361 22.9 179.5 -57.5 110.6 -1.0 9.3 25.2 182 632 A Q E - 0 0 72 16,-2.6 2,-0.3 -2,-0.4 -1,-0.2 0.966 53.1 -21.8 -77.5 -63.6 -3.5 6.6 24.4 183 633 A K E -M 198 0C 82 15,-0.8 15,-1.3 13,-0.1 2,-0.4 -0.911 51.6-128.8-145.5 174.0 -2.3 3.5 26.0 184 634 A L E -M 197 0C 35 -2,-0.3 2,-0.5 13,-0.2 13,-0.2 -0.995 12.8-171.8-133.5 127.8 0.8 1.7 27.3 185 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128.4 10.2 -2.4 27.2 195 645 A I E - M 0 186C 0 -53,-1.9 2,-0.8 -2,-0.5 -9,-0.2 -0.968 7.4-157.0-121.7 118.2 7.5 0.4 27.2 196 646 A R E - M 0 185C 5 -11,-3.2 -11,-1.5 -2,-0.5 2,-0.4 -0.847 10.1-162.9 -98.5 104.3 5.5 1.0 24.0 197 647 A F E -JM 140 184C 3 -57,-2.8 -57,-1.5 -2,-0.8 2,-0.4 -0.755 7.7-169.2 -85.4 133.1 4.1 4.5 24.0 198 648 A Q E +JM 139 183C 15 -15,-1.3 -16,-2.6 -2,-0.4 -15,-0.8 -0.985 15.5 150.6-128.7 130.7 1.2 5.0 21.6 199 649 A S E -JM 138 181C 0 -61,-2.4 -61,-1.9 -2,-0.4 -18,-0.2 -1.000 42.0-112.2-157.4 153.2 -0.3 8.4 20.6 200 650 A R E - M 0 180C 116 -20,-0.8 -20,-0.7 -2,-0.3 3,-0.1 -0.343 23.2-166.4 -76.6 167.2 -2.0 10.3 17.8 201 651 A S > - 0 0 2 1,-0.6 3,-2.1 3,-0.2 181,-0.1 -0.104 33.2-113.7-152.8 42.7 -0.1 13.1 16.2 202 652 A G T 3 S- 0 0 9 -24,-0.3 -1,-0.6 1,-0.3 153,-0.0 -0.355 83.3 -28.6 58.6-133.7 -2.4 15.2 14.2 203 653 A D T 3 S+ 0 0 9 -3,-0.1 151,-3.1 182,-0.1 152,-1.0 0.317 114.7 103.8 -95.9 4.3 -1.5 14.9 10.5 204 654 A A B < S-n 355 0D 23 -3,-2.1 -3,-0.2 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158.5-140.9 61.7 0.2 -0.6 10.4 350 800 A I E < -G 254 0B 0 -96,-2.6 -96,-3.0 -3,-0.5 2,-0.8 -0.718 26.0-157.8 -82.8 112.3 0.2 2.1 7.7 351 801 A E + 0 0 0 -2,-0.7 2,-0.3 -31,-0.3 -34,-0.2 -0.849 35.3 142.5 -96.6 110.1 2.8 4.7 8.9 352 802 A I + 0 0 2 -2,-0.8 2,-0.3 -147,-0.2 33,-0.1 -0.937 27.3 176.5-149.8 164.0 1.9 7.9 7.2 353 803 A G - 0 0 2 -2,-0.3 -149,-0.2 -148,-0.1 -150,-0.1 -0.986 25.5-153.4-165.6 158.1 1.6 11.7 7.4 354 804 A T S S+ 0 0 0 -151,-3.1 21,-1.5 -2,-0.3 2,-0.4 0.336 84.2 60.6-118.5 2.9 0.8 14.8 5.4 355 805 A V B S+n 204 0D 54 -152,-1.0 -150,-0.6 20,-0.1 3,-0.1 -0.982 93.2 10.9-131.5 140.9 2.9 17.2 7.4 356 806 A G S > S+ 0 0 28 -2,-0.4 3,-1.8 1,-0.2 5,-0.1 0.069 93.3 42.3 83.6 166.9 6.6 17.2 8.0 357 807 A G G > S- 0 0 44 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 -0.331 127.2 -7.8 60.6-132.8 9.6 15.3 6.5 358 808 A G G > S+ 0 0 3 -43,-0.6 3,-1.5 1,-0.3 -1,-0.3 0.662 124.4 75.2 -70.3 -16.3 9.4 14.9 2.8 359 809 A T G < S+ 0 0 3 -3,-1.8 -1,-0.3 -44,-0.5 -2,-0.2 0.551 81.8 71.4 -74.3 -5.0 5.9 16.3 2.6 360 810 A N G < S+ 0 0 82 -3,-1.4 2,-0.3 -45,-0.2 -1,-0.3 0.540 81.1 92.1 -83.3 -9.7 7.4 19.8 3.2 361 811 A L S <> S- 0 0 2 -3,-1.5 4,-1.8 -5,-0.1 5,-0.1 -0.660 79.9-127.8 -88.3 144.7 8.9 19.8 -0.3 362 812 A L H > S+ 0 0 45 -2,-0.3 4,-1.9 1,-0.2 99,-0.2 0.904 102.3 51.4 -59.2 -51.3 6.9 21.3 -3.2 363 813 A P H > S+ 0 0 13 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.924 114.6 44.2 -56.1 -43.9 6.9 18.4 -5.8 364 814 A Q H > S+ 0 0 1 -6,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.831 108.5 58.4 -70.0 -28.6 5.7 15.9 -3.2 365 815 A Q H X S+ 0 0 38 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.862 100.7 58.5 -66.5 -30.2 3.1 18.5 -2.0 366 816 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.903 106.2 46.1 -64.4 -43.8 1.8 18.5 -5.6 367 817 A C H X S+ 0 0 0 -4,-1.2 4,-0.9 -54,-0.3 -1,-0.2 0.892 113.6 49.6 -67.6 -37.5 1.0 14.8 -5.4 368 818 A L H X>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 4,-0.5 0.883 111.0 49.3 -66.4 -39.2 -0.6 15.2 -2.0 369 819 A Q H ><5S+ 0 0 55 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.896 101.8 62.7 -65.8 -39.8 -2.7 18.1 -3.3 370 820 A M H 3<5S+ 0 0 8 -4,-2.2 -268,-0.4 1,-0.3 84,-0.3 0.821 110.2 40.5 -53.5 -32.2 -3.7 15.9 -6.2 371 821 A L H 3<5S- 0 0 8 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.511 114.4-120.5 -93.9 -10.6 -5.3 13.7 -3.6 372 822 A G T <<5S+ 0 0 41 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.730 87.1 101.7 76.6 28.1 -6.6 16.6 -1.6 373 823 A V < + 0 0 0 -5,-2.3 -4,-0.2 14,-0.1 15,-0.1 0.197 40.5 141.2-127.2 16.3 -4.7 15.8 1.6 374 824 A Q - 0 0 62 -6,-0.4 -19,-0.1 -9,-0.1 -20,-0.1 -0.331 61.5 -20.7 -66.7 137.4 -1.8 18.1 1.6 375 825 A G S S- 0 0 11 -21,-1.5 -20,-0.1 -16,-0.1 9,-0.1 0.050 104.3 -15.7 63.8-170.8 -0.7 19.6 5.0 376 826 A A - 0 0 56 1,-0.1 2,-0.8 8,-0.1 -174,-0.0 -0.230 57.1-127.3 -67.0 148.5 -2.6 20.0 8.2 377 827 A C - 0 0 30 1,-0.2 6,-0.2 2,-0.0 3,-0.2 -0.919 20.8-165.1-101.4 106.2 -6.4 19.7 8.4 378 828 A K S S+ 0 0 180 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.928 84.1 37.9 -54.4 -55.0 -7.5 22.9 10.2 379 829 A D S S+ 0 0 163 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.626 132.4 21.5 -78.4 -14.5 -11.0 21.8 11.1 380 830 A N S > S- 0 0 79 -3,-0.2 3,-2.2 0, 0.0 4,-0.3 -0.493 82.5-141.8-157.7 77.2 -10.3 18.2 12.0 381 831 A P T 3 S+ 0 0 52 0, 0.0 -179,-0.2 0, 0.0 -3,-0.1 -0.059 86.1 17.9 -44.9 126.4 -6.6 17.4 12.9 382 832 A G T 3> S+ 0 0 0 -181,-0.1 4,-2.6 -182,-0.0 5,-0.2 0.061 91.5 108.5 97.1 -21.5 -5.4 14.1 11.5 383 833 A E H <> S+ 0 0 53 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 0.824 76.2 53.0 -58.6 -36.6 -8.1 13.7 9.0 384 834 A N H > S+ 0 0 25 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.941 111.6 45.8 -65.8 -43.9 -5.8 14.3 6.0 385 835 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 113.5 49.6 -65.5 -40.3 -3.4 11.6 7.2 386 836 A R H X S+ 0 0 37 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.921 110.2 50.8 -64.4 -41.5 -6.3 9.2 7.8 387 837 A Q H X S+ 0 0 20 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 109.6 50.8 -62.5 -42.5 -7.7 10.0 4.3 388 838 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.921 108.9 51.1 -62.5 -41.7 -4.3 9.2 2.8 389 839 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.905 109.8 50.1 -61.9 -41.5 -4.1 5.9 4.7 390 840 A R H X S+ 0 0 43 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.928 110.1 51.0 -61.8 -41.6 -7.6 5.0 3.3 391 841 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.898 109.7 49.7 -62.4 -43.0 -6.4 5.9 -0.2 392 842 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.938 111.6 48.6 -62.5 -44.2 -3.3 3.7 0.3 393 843 A C H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.898 113.2 47.6 -64.9 -38.0 -5.4 0.7 1.5 394 844 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.911 112.0 48.5 -69.1 -40.9 -7.9 1.2 -1.4 395 845 A T H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.907 109.2 53.6 -66.5 -40.4 -5.1 1.4 -4.0 396 846 A V H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.944 108.0 51.1 -57.7 -46.5 -3.5 -1.7 -2.6 397 847 A M H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.929 109.7 49.3 -59.2 -39.8 -6.8 -3.5 -3.0 398 848 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.930 112.1 49.7 -64.5 -41.1 -7.0 -2.4 -6.6 399 849 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.895 110.8 48.4 -62.6 -42.1 -3.4 -3.7 -7.0 400 850 A E H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.861 110.0 52.9 -64.8 -41.6 -4.2 -7.1 -5.4 401 851 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.972 113.3 42.6 -57.5 -53.4 -7.3 -7.5 -7.6 402 852 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.926 116.5 44.2 -62.5 -52.6 -5.4 -6.9 -10.9 403 853 A L H X S+ 0 0 50 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.915 114.0 50.8 -63.2 -41.2 -2.3 -9.0 -10.1 404 854 A M H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.885 108.3 52.9 -64.4 -36.8 -4.4 -11.9 -8.7 405 855 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 5,-0.2 0.954 110.1 48.2 -62.2 -46.8 -6.6 -11.9 -11.9 406 856 A A H X S+ 0 0 50 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.892 113.6 46.1 -62.1 -41.0 -3.5 -12.1 -14.1 407 857 A L H < S+ 0 0 20 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.901 113.3 50.4 -67.9 -38.3 -2.0 -14.9 -12.0 408 858 A A H < S+ 0 0 23 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.829 109.1 49.6 -66.4 -36.5 -5.4 -16.7 -12.0 409 859 A A H < S+ 0 0 44 -4,-2.5 2,-2.3 1,-0.2 -1,-0.2 0.631 85.9 172.6 -75.6 -16.0 -5.7 -16.3 -15.8 410 860 A G < 0 0 47 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 -0.161 360.0 360.0 50.5 -69.3 -2.2 -17.8 -15.9 411 861 A H 0 0 214 -2,-2.3 -3,-0.0 -3,-0.2 -1,-0.0 -0.621 360.0 360.0 170.8 360.0 -1.7 -18.3 -19.6 412 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 413 463 B S > 0 0 70 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 165.0 -2.7 22.1 -31.0 414 464 B D H > + 0 0 47 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.909 360.0 52.8 -54.8 -46.7 -3.1 21.1 -27.4 415 465 B A H > S+ 0 0 75 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 112.8 46.4 -56.6 -39.2 -6.6 22.7 -27.2 416 466 B E H > S+ 0 0 130 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.920 111.9 47.4 -70.2 -48.1 -7.5 20.6 -30.3 417 467 B I H X S+ 0 0 30 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.862 109.2 58.3 -63.4 -32.8 -6.0 17.3 -29.0 418 468 B I H X S+ 0 0 24 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.890 110.1 39.8 -65.6 -42.5 -7.8 17.9 -25.7 419 469 B Q H X S+ 0 0 123 -4,-1.5 4,-0.6 2,-0.2 -1,-0.2 0.819 113.7 55.4 -77.0 -28.0 -11.3 18.1 -27.3 420 470 B L H < S+ 0 0 121 -4,-2.0 3,-0.3 2,-0.2 6,-0.3 0.897 113.0 42.3 -67.5 -40.3 -10.5 15.2 -29.6 421 471 B V H < S+ 0 0 11 -4,-2.3 5,-0.2 1,-0.2 -2,-0.2 0.889 104.5 62.9 -73.0 -41.7 -9.6 13.1 -26.6 422 472 B N H < S+ 0 0 77 -4,-2.1 2,-1.9 1,-0.2 -1,-0.2 0.695 83.4 84.2 -57.4 -18.1 -12.5 14.3 -24.5 423 473 B A S < S- 0 0 40 -4,-0.6 2,-0.7 -3,-0.3 3,-0.5 -0.658 104.3-123.6 -85.9 73.0 -14.5 12.7 -27.3 424 474 B K S S+ 0 0 191 -2,-1.9 -1,-0.1 1,-0.2 -3,-0.0 0.220 87.8 99.8 18.3 -57.5 -14.1 9.3 -25.4 425 475 B H S S+ 0 0 167 -2,-0.7 -1,-0.2 -5,-0.1 -4,-0.1 0.619 83.1 44.5 -11.7 -64.1 -12.5 7.3 -28.3 426 476 B I S S- 0 0 33 -3,-0.5 2,-0.2 -6,-0.3 5,-0.0 -0.819 80.4-142.7-100.0 127.7 -8.9 7.7 -26.9 427 477 B P > - 0 0 49 0, 0.0 3,-2.9 0, 0.0 -5,-0.1 -0.612 31.2-104.4 -85.4 154.0 -8.1 7.3 -23.2 428 478 B A G > S+ 0 0 30 1,-0.3 3,-0.8 -2,-0.2 17,-0.1 0.786 120.6 56.9 -46.2 -34.9 -5.5 9.5 -21.4 429 479 B Y G 3 S+ 0 0 125 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.489 92.0 69.8 -79.9 -2.9 -3.0 6.6 -21.4 430 480 B K G <> S+ 0 0 81 -3,-2.9 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-1.7 -23.9 34.5 1557 803 D G - 0 0 2 -2,-0.3 -149,-0.2 -148,-0.1 -150,-0.1 -0.987 24.8-153.2-162.5 159.0 -4.1 -24.8 37.3 1558 804 D T S S+ 0 0 0 -151,-3.2 21,-1.4 -2,-0.3 2,-0.3 0.334 84.0 54.0-118.6 1.0 -4.4 -26.7 40.6 1559 805 D V B S+w 1408 0Q 44 -152,-0.9 -150,-0.6 19,-0.1 3,-0.1 -0.983 93.5 22.0-133.5 146.8 -8.1 -27.7 40.4 1560 806 D G S > S+ 0 0 34 -2,-0.3 3,-1.6 1,-0.2 2,-0.1 0.134 94.5 35.8 84.0 159.3 -10.0 -29.5 37.6 1561 807 D G G > S- 0 0 42 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 -0.345 128.0 -7.5 65.5-139.7 -8.8 -31.9 34.8 1562 808 D G G > S+ 0 0 3 -43,-0.6 3,-1.3 1,-0.3 -1,-0.3 0.650 125.0 73.9 -66.0 -15.1 -6.0 -34.2 35.7 1563 809 D T G < S+ 0 0 3 -3,-1.6 -1,-0.3 -44,-0.5 -2,-0.2 0.542 83.0 70.4 -75.9 -5.2 -5.5 -32.4 39.1 1564 810 D N G < S+ 0 0 81 -3,-1.6 2,-0.3 -45,-0.2 -1,-0.3 0.531 82.0 91.7 -83.9 -9.9 -8.7 -34.2 40.2 1565 811 D L S <> S- 0 0 1 -3,-1.3 4,-1.8 -4,-0.1 5,-0.2 -0.668 80.3-127.5 -88.4 144.7 -6.9 -37.5 40.3 1566 812 D L H > S+ 0 0 50 -2,-0.3 4,-1.9 1,-0.2 -695,-0.2 0.899 102.4 51.5 -59.6 -50.4 -5.2 -38.7 43.5 1567 813 D P H > S+ 0 0 8 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.933 114.3 44.4 -56.8 -43.7 -1.6 -39.5 42.2 1568 814 D Q H > S+ 0 0 0 -6,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.850 108.5 58.3 -70.1 -28.2 -1.3 -36.1 40.6 1569 815 D Q H X S+ 0 0 38 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.859 100.6 58.4 -67.0 -30.3 -2.8 -34.5 43.7 1570 816 D A H X S+ 0 0 0 -4,-1.9 4,-2.1 -3,-0.3 -1,-0.2 0.902 106.4 46.2 -65.4 -43.0 0.1 -36.1 45.7 1571 817 D C H X S+ 0 0 0 -4,-1.2 4,-0.8 -54,-0.3 -1,-0.2 0.896 113.5 49.5 -67.2 -37.9 2.7 -34.2 43.5 1572 818 D L H ><>S+ 0 0 0 -4,-2.0 5,-2.3 -55,-0.2 3,-0.5 0.888 111.0 49.6 -66.0 -39.0 0.7 -31.0 43.9 1573 819 D Q H ><5S+ 0 0 64 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.892 101.6 63.3 -65.9 -38.0 0.5 -31.5 47.8 1574 820 D M H 3<5S+ 0 0 7 -4,-2.1 -268,-0.4 1,-0.3 -1,-0.2 0.814 110.0 39.4 -54.6 -32.3 4.2 -32.1 47.7 1575 821 D L T <<5S- 0 0 9 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.472 114.6-120.2 -95.6 -9.1 4.5 -28.5 46.5 1576 822 D G T < 5S+ 0 0 44 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.748 86.7 102.6 75.6 27.7 1.8 -27.3 48.8 1577 823 D V < + 0 0 1 -5,-2.3 -4,-0.2 14,-0.1 15,-0.1 0.135 41.2 140.0-127.4 20.1 -0.5 -26.0 46.0 1578 824 D Q - 0 0 58 -6,-0.4 -19,-0.1 -9,-0.1 -20,-0.1 -0.369 61.4 -16.6 -70.9 141.4 -3.2 -28.7 45.7 1579 825 D G S S- 0 0 9 -21,-1.4 -20,-0.1 -16,-0.2 9,-0.1 -0.045 106.7 -19.9 65.4-166.1 -6.8 -27.7 45.0 1580 826 D A - 0 0 57 8,-0.1 2,-1.0 1,-0.1 3,-0.1 -0.342 52.3-129.6 -76.0 150.5 -8.3 -24.3 45.6 1581 827 D C - 0 0 27 1,-0.2 6,-0.2 -2,-0.1 -2,-0.1 -0.924 25.2-166.4 -99.1 97.1 -6.8 -21.7 47.8 1582 828 D K S S+ 0 0 197 -2,-1.0 -1,-0.2 1,-0.2 -3,-0.0 0.921 82.8 48.6 -52.9 -45.5 -10.0 -21.0 49.7 1583 829 D D S S+ 0 0 163 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.940 130.5 11.9 -62.5 -52.3 -8.6 -17.8 51.2 1584 830 D N S > S- 0 0 77 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.765 82.3-139.1-134.7 90.7 -7.3 -16.2 47.9 1585 831 D P T 3 S+ 0 0 48 0, 0.0 -179,-0.3 0, 0.0 -3,-0.1 -0.159 88.5 24.7 -50.1 123.5 -8.4 -18.0 44.7 1586 832 D G T 3> S+ 0 0 0 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X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.939 111.4 48.8 -63.0 -45.3 7.7 -23.8 37.1 1597 843 D C H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.905 113.2 47.3 -63.0 -39.1 9.5 -20.7 36.2 1598 844 D G H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.900 111.9 49.1 -68.5 -41.5 12.1 -21.2 38.9 1599 845 D T H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.915 109.3 52.8 -65.1 -41.6 12.7 -24.9 38.0 1600 846 D V H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.931 108.3 51.8 -57.2 -45.7 13.1 -23.9 34.3 1601 847 D M H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.939 109.6 48.5 -59.7 -41.1 15.7 -21.4 35.5 1602 848 D A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.917 112.4 50.0 -62.8 -40.5 17.5 -24.2 37.4 1603 849 D G H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.902 110.7 48.3 -62.6 -43.2 17.3 -26.3 34.2 1604 850 D E H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.863 110.1 52.8 -64.2 -41.0 18.7 -23.6 32.0 1605 851 D L H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.971 113.4 42.6 -58.3 -53.4 21.6 -22.9 34.5 1606 852 D S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.924 116.6 44.0 -62.2 -53.1 22.7 -26.6 34.5 1607 853 D L H X S+ 0 0 50 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.922 114.2 50.7 -62.7 -42.9 22.4 -27.4 30.8 1608 854 D M H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.892 108.2 53.0 -62.4 -38.0 24.1 -24.1 29.8 1609 855 D A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.959 108.8 50.7 -61.1 -45.0 27.0 -24.9 32.2 1610 856 D A H X S+ 0 0 44 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.843 112.7 45.4 -61.8 -35.5 27.4 -28.3 30.6 1611 857 D L H < S+ 0 0 22 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.868 111.5 51.6 -76.6 -37.3 27.5 -26.7 27.1 1612 858 D A H < S+ 0 0 23 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.840 116.2 42.2 -65.6 -35.1 29.9 -24.0 28.1 1613 859 D A H < 0 0 65 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.934 360.0 360.0 -76.4 -49.8 32.2 -26.6 29.6 1614 860 D G < 0 0 96 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.398 360.0 360.0 127.9 360.0 31.9 -29.2 26.8