==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-FEB-08 3CD5 . COMPND 2 MOLECULE: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.PAVLOVSKY,R.W.SARVER,M.S.HARRIS,B.C.FINZEL . 1684 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1209 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 250 14.8 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 . 12 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 . 5 0.3 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 . 111 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 149 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 551 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 51 3.0 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 7 4 9 0 3 5 3 4 11 3 4 1 0 0 4 0 0 0 0 0 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 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 . 2 2 12 0 4 3 8 6 1 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 4 5 3 0 0 0 1 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 1 441 A E 0 0 218 0, 0.0 2,-1.1 0, 0.0 22,-0.1 0.000 360.0 360.0 360.0 -19.0 -24.2 49.2 44.8 2 442 A P - 0 0 74 0, 0.0 3,-0.1 0, 0.0 20,-0.0 -0.545 360.0-141.9 -69.0 99.0 -24.3 46.7 41.9 3 443 A R - 0 0 86 -2,-1.1 5,-0.0 1,-0.1 19,-0.0 -0.029 26.8 -79.6 -63.7 161.8 -25.9 48.8 39.1 4 444 A P > - 0 0 84 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.200 41.9-113.9 -59.6 155.2 -28.5 47.5 36.6 5 445 A N H > S+ 0 0 50 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.855 112.2 50.9 -64.7 -43.0 -27.2 45.5 33.6 6 446 A E H > S+ 0 0 167 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.852 114.5 45.8 -63.6 -34.1 -28.1 48.0 30.8 7 447 A E H >> S+ 0 0 95 -3,-0.3 4,-1.4 2,-0.2 3,-0.6 0.886 109.1 52.3 -76.9 -44.0 -26.4 50.9 32.7 8 448 A C H 3X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.815 104.6 58.8 -59.5 -34.5 -23.2 49.0 33.6 9 449 A L H 3X S+ 0 0 62 -4,-1.5 4,-1.7 -5,-0.2 -1,-0.2 0.785 102.0 54.6 -66.9 -30.3 -22.8 48.1 30.0 10 450 A Q H << S+ 0 0 148 -4,-0.6 -2,-0.2 -3,-0.6 -1,-0.2 0.906 107.5 47.8 -68.0 -44.1 -22.7 51.8 29.1 11 451 A I H < S+ 0 0 16 -4,-1.4 7,-1.3 2,-0.2 3,-0.4 0.781 109.0 56.4 -68.4 -28.7 -19.8 52.6 31.5 12 452 A L H < S+ 0 0 30 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.958 107.2 46.2 -66.3 -53.2 -17.9 49.6 30.1 13 453 A G S < S+ 0 0 69 -4,-1.7 2,-0.5 5,-0.1 -1,-0.2 0.404 88.2 111.5 -71.7 0.5 -18.1 50.9 26.5 14 454 A N >> - 0 0 60 -3,-0.4 3,-1.0 -4,-0.2 4,-0.6 -0.703 60.6-154.2 -73.4 122.1 -17.0 54.3 27.9 15 455 A A T 34 S+ 0 0 109 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.687 91.0 46.6 -74.4 -20.7 -13.5 54.9 26.5 16 456 A E T 34 S+ 0 0 169 2,-0.0 -1,-0.2 -5,-0.0 -3,-0.1 -0.007 124.1 27.5-113.4 28.2 -12.5 57.2 29.4 17 457 A K T <4 S+ 0 0 102 -3,-1.0 3,-0.4 -5,-0.2 -2,-0.1 0.262 75.7 161.3-140.6 -75.5 -13.9 55.1 32.3 18 458 A G >X - 0 0 18 -7,-1.3 3,-1.7 -4,-0.6 4,-0.7 -0.117 67.8 -40.0 74.8-173.1 -14.0 51.3 31.7 19 459 A A T 34 S+ 0 0 3 25,-0.4 -1,-0.2 1,-0.3 26,-0.1 0.688 118.9 86.6 -64.2 -20.6 -14.2 48.4 34.2 20 460 A K T 34 S+ 0 0 137 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.806 97.1 39.0 -41.3 -38.7 -11.8 50.4 36.4 21 461 A F T <4 S+ 0 0 122 -3,-1.7 -1,-0.2 -10,-0.1 -2,-0.2 0.790 100.8 87.1 -88.1 -34.1 -14.9 52.2 37.8 22 462 A L S < S- 0 0 3 -4,-0.7 2,-0.1 1,-0.1 -14,-0.0 -0.295 78.6-121.5 -64.5 152.4 -17.2 49.1 37.9 23 463 A S > - 0 0 46 -22,-0.1 4,-1.4 1,-0.1 5,-0.2 -0.258 25.7-100.4 -87.3 178.3 -17.1 46.9 41.0 24 464 A D H > S+ 0 0 52 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.941 121.5 49.7 -64.4 -48.9 -16.3 43.2 41.3 25 465 A A H > S+ 0 0 50 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.693 107.8 55.2 -66.3 -21.7 -20.0 42.1 41.4 26 466 A E H > S+ 0 0 3 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.845 107.0 47.6 -80.5 -38.6 -20.9 44.2 38.4 27 467 A I H X S+ 0 0 3 -4,-1.4 4,-1.2 -3,-0.3 -2,-0.2 0.857 113.8 50.6 -67.0 -36.0 -18.3 42.6 36.1 28 468 A I H X S+ 0 0 18 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.890 105.5 55.5 -64.7 -41.4 -19.6 39.3 37.4 29 469 A Q H < S+ 0 0 82 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.750 107.0 50.2 -68.6 -24.8 -23.2 40.2 36.7 30 470 A L H < S+ 0 0 0 -4,-1.0 6,-1.3 -3,-0.2 5,-0.5 0.779 110.2 48.1 -83.9 -31.7 -22.4 40.9 33.0 31 471 A V H >< S+ 0 0 12 -4,-1.2 3,-0.6 3,-0.2 -2,-0.2 0.961 108.4 62.5 -68.3 -56.1 -20.6 37.6 32.4 32 472 A N T 3< S+ 0 0 83 -4,-2.5 4,-0.1 1,-0.3 6,-0.0 -0.438 109.9 27.7 -60.5 145.8 -23.5 35.8 34.1 33 473 A A T 3 S- 0 0 82 -2,-0.1 -1,-0.3 2,-0.1 -4,-0.0 0.947 125.8 -96.9 52.7 49.1 -26.6 36.3 32.0 34 474 A K S < S+ 0 0 149 -3,-0.6 -3,-0.2 3,-0.1 -2,-0.1 0.633 84.7 118.5 7.2 123.2 -24.3 36.8 29.0 35 475 A H S S+ 0 0 101 1,-0.9 -4,-0.2 -5,-0.5 -1,-0.1 0.115 87.1 37.0-161.5 -54.1 -23.2 40.3 27.8 36 476 A I S S- 0 0 8 -6,-1.3 -1,-0.9 1,-0.2 5,-0.0 -0.961 96.2-137.9 -92.1 128.9 -19.5 40.1 28.3 37 477 A P - 0 0 36 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.963 26.9-106.2 -60.8 -67.9 -19.0 36.4 27.3 38 478 A A S > S+ 0 0 47 -3,-0.1 3,-1.2 -4,-0.1 4,-0.1 -0.204 110.2 56.6 170.5 -58.5 -16.5 34.9 29.8 39 479 A Y T > S+ 0 0 175 1,-0.2 3,-1.2 2,-0.1 50,-0.1 0.734 93.9 72.6 -65.1 -24.4 -13.2 34.5 28.0 40 480 A K T 3> + 0 0 101 1,-0.3 4,-0.8 2,-0.1 3,-0.4 0.418 67.6 93.1 -77.7 3.4 -13.2 38.3 27.1 41 481 A L H <> S+ 0 0 4 -3,-1.2 4,-0.9 1,-0.2 -1,-0.3 0.703 74.8 70.9 -62.3 -21.0 -12.4 39.2 30.8 42 482 A E H <4 S+ 0 0 64 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.943 103.2 31.9 -60.1 -53.3 -8.7 39.1 29.7 43 483 A T H 4 S+ 0 0 113 -3,-0.4 -1,-0.2 1,-0.1 -2,-0.1 0.601 114.5 54.7 -91.2 -13.5 -8.6 42.3 27.6 44 484 A L H < S+ 0 0 64 -4,-0.8 -25,-0.4 -26,-0.0 -1,-0.1 0.896 82.5 85.4 -91.8 -44.7 -11.1 44.6 29.3 45 485 A I S < S- 0 0 15 -4,-0.9 6,-0.1 -26,-0.1 -27,-0.0 -0.330 77.5-118.7 -74.7 141.9 -10.3 45.0 33.0 46 486 A E S S+ 0 0 87 4,-0.1 2,-0.2 -2,-0.1 -1,-0.1 0.887 88.4 25.1 -32.5 -77.5 -7.7 47.5 34.4 47 487 A T > - 0 0 71 1,-0.1 4,-0.9 -27,-0.0 -2,-0.1 -0.585 69.7-127.1-104.2 161.0 -5.1 45.2 36.0 48 488 A H H > S+ 0 0 91 -2,-0.2 4,-1.8 1,-0.2 3,-0.4 0.897 109.1 53.0 -69.1 -43.3 -4.0 41.6 35.4 49 489 A E H > S+ 0 0 75 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 105.5 54.0 -62.2 -37.9 -4.4 40.6 39.0 50 490 A R H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.771 106.6 52.7 -70.5 -26.2 -8.0 41.9 39.1 51 491 A G H X S+ 0 0 5 -4,-0.9 4,-2.4 -3,-0.4 -1,-0.2 0.875 109.4 49.0 -69.5 -40.6 -8.7 39.7 36.1 52 492 A V H X S+ 0 0 1 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.886 112.3 48.9 -63.0 -41.3 -7.3 36.7 37.9 53 493 A S H X S+ 0 0 18 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.899 112.2 47.0 -67.3 -43.8 -9.4 37.5 41.0 54 494 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 3,-0.4 0.941 111.7 50.4 -63.9 -49.3 -12.6 37.9 39.0 55 495 A R H X S+ 0 0 16 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.796 109.3 53.2 -58.6 -32.0 -12.0 34.7 37.1 56 496 A R H X S+ 0 0 21 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.827 108.5 49.0 -70.8 -34.9 -11.4 33.0 40.5 57 497 A Q H X S+ 0 0 64 -4,-1.5 4,-1.2 -3,-0.4 -2,-0.2 0.907 111.5 48.6 -71.7 -46.1 -14.8 34.2 41.8 58 498 A L H X S+ 0 0 18 -4,-2.4 4,-0.7 1,-0.2 3,-0.4 0.931 114.3 47.7 -51.2 -50.0 -16.6 33.1 38.7 59 499 A L H >X S+ 0 0 3 -4,-1.8 4,-0.9 1,-0.2 3,-0.7 0.841 103.2 62.2 -65.2 -36.0 -14.9 29.7 39.1 60 500 A S H 3< S+ 0 0 27 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.845 100.8 51.3 -61.3 -39.1 -15.6 29.4 42.8 61 501 A K H 3< S+ 0 0 122 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.672 106.6 54.5 -76.1 -19.9 -19.4 29.3 42.4 62 502 A K H << S+ 0 0 129 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.681 95.0 90.7 -81.9 -19.9 -19.3 26.6 39.7 63 503 A L S < S- 0 0 16 -4,-0.9 743,-0.1 -3,-0.5 744,-0.1 -0.435 81.1-128.4 -81.0 151.3 -17.3 24.4 42.1 64 504 A S S S+ 0 0 106 742,-0.4 -1,-0.1 1,-0.2 742,-0.1 0.657 107.3 42.9 -72.8 -18.3 -18.8 21.8 44.6 65 505 A E S > S- 0 0 85 740,-0.2 3,-1.6 741,-0.1 -1,-0.2 -0.919 77.8-156.4-126.0 106.4 -16.7 23.4 47.4 66 506 A P T 3 S+ 0 0 85 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.767 90.9 51.0 -51.7 -34.5 -16.8 27.3 47.1 67 507 A S T > S+ 0 0 67 1,-0.2 3,-0.9 2,-0.1 4,-0.2 -0.103 70.5 116.1-100.3 34.8 -13.6 27.7 49.0 68 508 A S G X S+ 0 0 1 -3,-1.6 3,-0.5 1,-0.2 737,-0.2 0.858 75.4 53.9 -65.2 -36.1 -11.4 25.3 47.0 69 509 A L G > S+ 0 0 5 -3,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.361 75.4 107.0 -83.6 5.1 -9.2 28.1 45.8 70 510 A Q G < S+ 0 0 111 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.828 88.6 31.6 -58.2 -37.6 -8.3 29.4 49.3 71 511 A Y G < S+ 0 0 124 -3,-0.5 -1,-0.3 727,-0.2 -2,-0.1 0.350 92.5 101.1-106.4 3.8 -4.7 28.1 49.3 72 512 A L S < S- 0 0 1 -3,-1.0 2,-0.1 -4,-0.1 22,-0.1 -0.828 74.1-140.5 -82.2 107.7 -4.1 28.4 45.6 73 513 A P + 0 0 33 0, 0.0 20,-2.0 0, 0.0 -2,-0.1 -0.458 41.3 151.9 -78.7 146.5 -2.1 31.7 45.7 74 514 A Y > + 0 0 21 18,-0.2 3,-0.8 -2,-0.1 2,-0.1 0.449 36.2 109.4-142.5 -14.6 -2.5 34.5 43.0 75 515 A R T 3 S+ 0 0 143 1,-0.2 3,-0.1 -23,-0.1 0, 0.0 -0.398 83.2 6.0 -74.9 144.0 -1.6 37.8 44.7 76 516 A D T 3 S+ 0 0 153 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.478 88.6 134.5 72.0 6.8 1.6 39.8 43.9 77 517 A Y < - 0 0 28 -3,-0.8 2,-1.3 1,-0.1 -1,-0.2 -0.706 65.4-111.5 -90.7 139.2 2.7 37.6 41.0 78 518 A N + 0 0 75 -2,-0.3 3,-0.4 1,-0.2 4,-0.2 -0.535 43.1 167.4 -75.0 92.9 3.9 39.2 37.8 79 519 A Y >> + 0 0 5 -2,-1.3 4,-2.3 1,-0.2 3,-0.7 0.558 57.0 85.9 -83.1 -10.2 1.2 38.3 35.3 80 520 A S T 34 S+ 0 0 63 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.891 93.4 43.8 -58.3 -42.3 2.3 40.8 32.6 81 521 A L T 34 S+ 0 0 66 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.600 116.3 49.8 -79.0 -12.2 4.8 38.3 31.1 82 522 A V T X>>S+ 0 0 0 -3,-0.7 4,-1.9 -4,-0.2 3,-1.7 0.831 86.9 85.6 -94.2 -41.6 2.3 35.4 31.3 83 523 A M B 3<5S+a 87 0A 27 -4,-2.3 5,-0.1 1,-0.3 463,-0.0 -0.493 106.6 7.6 -72.2 129.5 -0.9 36.8 29.7 84 524 A G T 345S+ 0 0 78 3,-0.6 -1,-0.3 -2,-0.2 4,-0.1 0.416 134.5 51.4 83.4 1.6 -0.8 36.3 25.9 85 525 A A T <45S+ 0 0 48 -3,-1.7 461,-0.6 2,-0.3 -2,-0.2 0.675 116.9 9.0-132.5 -60.8 2.4 34.3 26.1 86 526 A C T <5S+ 0 0 2 -4,-1.9 2,-0.3 1,-0.2 462,-0.2 0.679 116.9 14.6-109.6 -26.0 2.6 31.3 28.5 87 527 A C B < -a 83 0A 0 -5,-1.5 -3,-0.6 457,-0.2 -2,-0.3 -0.998 52.7-154.0-156.3 150.8 -0.9 30.6 29.9 88 528 A E S S+ 0 0 26 -2,-0.3 438,-0.2 1,-0.2 3,-0.2 -0.853 75.1 26.0-127.3 166.3 -4.7 31.3 29.5 89 529 A N S S- 0 0 24 -2,-0.3 437,-1.1 436,-0.2 2,-0.2 0.886 84.7-163.8 48.4 46.9 -7.8 31.4 31.8 90 530 A V E +B 525 0B 0 435,-0.2 435,-0.3 -3,-0.2 -1,-0.2 -0.404 30.0 166.0 -74.7 129.0 -5.3 32.2 34.6 91 531 A I E - 0 0 0 433,-2.0 2,-0.3 1,-0.2 434,-0.1 0.152 63.9 -58.4-123.5 11.6 -6.6 31.7 38.2 92 532 A G E -B 524 0B 0 432,-0.7 432,-2.3 -18,-0.1 2,-0.3 -0.986 61.3 -78.1 144.5-158.1 -3.3 31.7 40.1 93 533 A Y E -B 523 0B 22 -20,-2.0 449,-0.0 -2,-0.3 -16,-0.0 -0.967 23.7-127.7-145.3 159.1 0.0 29.9 40.2 94 534 A M E -B 522 0B 0 428,-2.6 428,-1.8 -2,-0.3 2,-0.4 -0.933 21.3-143.5-113.1 109.2 1.4 26.6 41.6 95 535 A P E -B 521 0B 2 0, 0.0 705,-0.1 0, 0.0 424,-0.0 -0.608 15.6-166.7 -72.7 125.5 4.5 26.9 43.8 96 536 A I E -B 520 0B 7 424,-1.7 424,-2.6 -2,-0.4 22,-0.1 -0.971 28.3-111.7-114.8 117.8 6.8 24.0 43.2 97 537 A P E -B 519 0B 0 0, 0.0 20,-1.3 0, 0.0 2,-0.5 -0.147 30.3-151.5 -48.9 139.7 9.6 23.6 45.8 98 538 A V E +BC 518 116B 0 420,-1.9 419,-2.5 18,-0.2 420,-0.7 -0.981 16.7 177.4-121.4 120.6 13.1 24.3 44.4 99 539 A G E -BC 516 115B 0 16,-2.6 16,-2.2 -2,-0.5 2,-0.4 -0.653 23.7-121.6-110.3 172.4 16.2 22.7 45.9 100 540 A V E - C 0 114B 13 415,-1.0 2,-0.5 414,-0.3 27,-0.1 -0.955 16.3-169.3-121.7 136.2 19.9 22.9 44.9 101 541 A A E - C 0 113B 0 12,-2.3 12,-1.8 -2,-0.4 3,-0.2 -0.971 41.1 -52.3-124.9 111.0 22.2 20.0 43.9 102 542 A G E - 0 0 14 -2,-0.5 10,-0.2 1,-0.2 2,-0.1 -0.976 43.8 -81.3 170.4-172.5 25.9 20.8 43.7 103 543 A P E - 0 0 53 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.430 58.8-163.6 -66.4 141.2 28.5 21.9 43.2 104 544 A L E - C 0 111B 0 7,-2.4 2,-0.6 -3,-0.2 7,-0.6 -0.886 8.4-149.0 -95.8 107.5 28.4 19.9 39.9 105 545 A C E + C 0 110B 30 -2,-0.7 34,-1.8 25,-0.3 2,-0.3 -0.702 32.9 156.9 -79.1 116.5 31.9 19.7 38.5 106 546 A L B -j 139 0C 1 3,-1.8 3,-0.4 -2,-0.6 34,-0.2 -0.940 62.6 -10.6-150.3 121.9 31.6 19.6 34.7 107 547 A D S S- 0 0 30 32,-2.2 33,-0.1 -2,-0.3 3,-0.1 0.890 128.1 -53.8 54.4 45.7 34.2 20.6 32.0 108 548 A E S S+ 0 0 203 31,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.793 121.0 100.1 60.2 34.6 36.5 22.1 34.7 109 549 A K - 0 0 97 -3,-0.4 -3,-1.8 -5,-0.1 2,-0.4 -0.855 67.3-123.6-135.3 170.0 33.7 24.3 36.0 110 550 A E E -C 105 0B 125 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.948 22.9-172.9-118.9 144.6 31.3 24.4 39.0 111 551 A F E -C 104 0B 17 -7,-0.6 -7,-2.4 -2,-0.4 2,-0.8 -0.984 20.7-149.9-139.7 125.3 27.5 24.6 38.7 112 552 A Q E - 0 0 15 -2,-0.4 -10,-0.2 268,-0.3 -2,-0.0 -0.858 30.0-151.3 -90.4 109.4 24.8 25.0 41.4 113 553 A V E -C 101 0B 0 -12,-1.8 -12,-2.3 -2,-0.8 2,-0.2 -0.750 1.4-144.8 -95.3 116.3 21.9 23.1 39.8 114 554 A P E -C 100 0B 0 0, 0.0 2,-0.3 0, 0.0 -14,-0.2 -0.532 17.7-174.9 -78.2 145.1 18.3 24.2 40.6 115 555 A M E -C 99 0B 0 -16,-2.2 -16,-2.6 -2,-0.2 2,-0.8 -0.921 13.9-156.1-148.1 111.6 15.7 21.4 40.8 116 556 A A E +C 98 0B 2 203,-2.8 2,-0.3 -2,-0.3 -18,-0.2 -0.803 38.4 137.2 -94.8 108.9 12.0 21.9 41.3 117 557 A T - 0 0 12 -20,-1.3 395,-0.1 -2,-0.8 636,-0.1 -0.936 50.4-155.4-146.1 164.0 10.4 18.8 42.8 118 558 A T + 0 0 15 -2,-0.3 2,-0.7 -22,-0.1 395,-0.1 0.303 69.5 103.6-119.0 0.8 7.9 17.4 45.3 119 559 A E S > S- 0 0 36 674,-0.1 3,-1.3 196,-0.1 4,-0.4 -0.773 72.6-132.4 -83.0 113.9 9.5 14.0 45.5 120 560 A G T 3 S+ 0 0 6 391,-0.9 393,-0.1 -2,-0.7 392,-0.1 -0.307 86.0 26.2 -63.8 152.1 11.5 13.8 48.8 121 561 A C T 3> S+ 0 0 53 1,-0.1 4,-1.8 303,-0.0 -1,-0.2 0.239 91.8 104.2 77.5 -9.6 15.0 12.5 48.7 122 562 A L H <> S+ 0 0 7 -3,-1.3 4,-2.1 390,-0.2 5,-0.1 0.941 83.3 38.7 -68.8 -46.8 15.5 13.5 45.0 123 563 A V H > S+ 0 0 0 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.871 117.0 50.2 -74.5 -38.4 17.7 16.6 45.5 124 564 A A H > S+ 0 0 41 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.882 111.7 49.2 -64.0 -40.7 19.7 15.1 48.4 125 565 A S H X S+ 0 0 26 -4,-1.8 4,-2.0 2,-0.2 3,-0.3 0.941 113.6 45.2 -64.6 -47.5 20.4 12.0 46.3 126 566 A T H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.862 110.1 56.0 -63.0 -37.0 21.5 14.1 43.3 127 567 A N H X S+ 0 0 51 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.806 106.8 50.0 -65.8 -32.8 23.6 16.3 45.6 128 568 A R H X S+ 0 0 67 -4,-1.5 4,-2.0 -3,-0.3 -2,-0.2 0.907 108.0 51.9 -71.4 -44.6 25.4 13.2 46.9 129 569 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.784 107.4 54.6 -61.5 -28.7 26.1 12.0 43.3 130 570 A C H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -25,-0.3 0.918 106.3 50.6 -68.2 -44.7 27.6 15.4 42.6 131 571 A R H X S+ 0 0 159 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.865 110.2 49.9 -61.7 -38.5 30.0 15.1 45.6 132 572 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 2,-0.2 6,-0.2 0.929 112.0 48.0 -65.3 -46.7 31.1 11.7 44.3 133 573 A I H ><>S+ 0 0 1 -4,-1.9 5,-1.9 1,-0.2 3,-0.6 0.888 113.0 49.5 -55.7 -43.2 31.7 13.2 40.8 134 574 A G H ><5S+ 0 0 29 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.876 108.0 51.5 -69.1 -39.1 33.6 16.1 42.4 135 575 A L H 3<5S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.576 104.3 60.6 -75.9 -11.1 35.9 14.0 44.5 136 576 A G T <<5S- 0 0 17 -4,-0.7 135,-0.5 -3,-0.6 -1,-0.3 -0.080 130.4 -84.4-106.3 32.5 36.8 11.9 41.5 137 577 A G T < 5S- 0 0 82 -3,-0.9 -3,-0.2 133,-0.1 -29,-0.1 0.314 75.9 -94.2 86.2 -9.6 38.3 14.7 39.4 138 578 A G < - 0 0 11 -5,-1.9 133,-0.4 -6,-0.2 2,-0.2 -0.090 44.3 -69.1 92.7 172.7 35.0 15.8 38.0 139 579 A A B -j 106 0C 4 -34,-1.8 -32,-2.2 131,-0.1 -31,-0.5 -0.538 30.6-157.4-103.7 163.8 32.9 15.1 34.9 140 580 A S E -K 269 0D 32 129,-1.4 129,-1.1 -34,-0.2 2,-0.3 -0.988 11.8-174.7-144.1 133.7 33.3 16.0 31.2 141 581 A S E -K 268 0D 0 -2,-0.3 2,-0.4 127,-0.2 127,-0.2 -0.893 9.4-159.1-131.0 158.3 30.6 16.3 28.5 142 582 A R E -K 267 0D 97 125,-1.9 125,-1.5 -2,-0.3 2,-0.8 -1.000 21.3-131.5-137.2 135.7 30.3 16.9 24.8 143 583 A V E -K 266 0D 24 -2,-0.4 123,-0.2 123,-0.2 3,-0.1 -0.806 25.1-176.2 -84.0 109.8 27.4 18.0 22.6 144 584 A L E - 0 0 22 121,-2.0 2,-0.3 -2,-0.8 122,-0.2 0.778 64.7 -1.4 -80.9 -31.4 27.5 15.4 19.8 145 585 A A E -K 265 0D 35 120,-1.2 120,-2.2 -3,-0.1 2,-0.3 -0.982 58.8-161.5-155.9 160.0 24.7 17.0 17.7 146 586 A D E +K 264 0D 7 -2,-0.3 118,-0.2 118,-0.2 64,-0.2 -0.943 35.0 108.1-151.7 125.0 22.3 20.0 17.8 147 587 A G E -K 263 0D 0 116,-1.4 116,-1.9 -2,-0.3 63,-0.3 -0.394 47.6-133.8 164.1 115.6 19.1 20.6 15.9 148 588 A M E -O 209 0E 1 61,-1.5 61,-2.2 114,-0.2 2,-0.3 -0.455 32.9-148.4 -72.2 150.1 15.4 20.7 16.7 149 589 A T E -O 208 0E 0 59,-0.2 2,-0.3 -2,-0.1 59,-0.2 -0.833 19.4-162.6-123.3 159.8 13.2 18.9 14.2 150 590 A R E -O 207 0E 32 57,-1.8 57,-2.3 -2,-0.3 94,-0.1 -0.986 8.9-161.6-137.3 139.6 9.7 19.0 12.7 151 591 A G - 0 0 0 -2,-0.3 94,-2.5 55,-0.2 96,-1.2 -0.555 15.5-179.7-127.7 65.4 8.2 16.0 11.0 152 592 A P - 0 0 0 0, 0.0 53,-1.8 0, 0.0 2,-0.4 -0.205 19.0-138.8 -64.2 154.3 5.3 16.9 8.7 153 593 A V E +QR 204 242F 0 89,-1.6 89,-1.6 51,-0.2 88,-1.3 -0.974 21.6 179.2-113.4 130.9 3.3 14.5 6.7 154 594 A V E -QR 203 240F 0 49,-2.0 49,-2.2 -2,-0.4 2,-0.4 -0.832 17.6-135.9-119.4 163.1 2.2 15.4 3.1 155 595 A R E -QR 202 239F 5 84,-2.4 84,-1.6 -2,-0.3 47,-0.2 -0.980 11.6-168.5-127.5 125.3 0.2 13.3 0.6 156 596 A L - 0 0 4 45,-1.5 82,-0.1 -2,-0.4 6,-0.1 -0.631 41.3-107.3 -94.8 164.4 0.7 12.7 -3.1 157 597 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 44,-0.1 0.746 101.0 16.4 -64.8 -25.2 -2.0 11.1 -5.2 158 598 A R S > S- 0 0 107 42,-0.1 4,-1.7 43,-0.1 3,-0.4 -0.975 76.6-114.7-143.3 158.0 0.0 7.9 -5.4 159 599 A A H > S+ 0 0 0 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.810 116.9 57.7 -57.9 -32.8 3.0 6.2 -3.7 160 600 A C H > S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.862 105.0 50.3 -67.4 -37.4 5.0 6.5 -7.0 161 601 A D H > S+ 0 0 48 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.878 111.1 47.6 -66.7 -40.6 4.4 10.3 -6.9 162 602 A S H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.692 106.7 58.7 -74.7 -19.9 5.7 10.6 -3.3 163 603 A A H X S+ 0 0 12 -4,-1.2 4,-1.8 -5,-0.2 -1,-0.2 0.816 105.0 50.9 -69.8 -33.9 8.6 8.4 -4.4 164 604 A E H X S+ 0 0 114 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.866 108.9 48.9 -71.2 -38.7 9.4 11.2 -7.0 165 605 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.844 110.9 52.1 -68.1 -34.3 9.3 13.9 -4.3 166 606 A K H X S+ 0 0 23 -4,-1.3 4,-1.2 2,-0.2 -2,-0.2 0.894 111.3 46.3 -65.7 -41.6 11.6 11.7 -2.1 167 607 A A H X S+ 0 0 50 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.881 112.8 49.5 -69.6 -39.7 14.1 11.4 -5.0 168 608 A W H < S+ 0 0 53 -4,-2.1 6,-0.4 1,-0.2 3,-0.3 0.871 109.7 50.8 -66.7 -41.5 14.0 15.1 -5.8 169 609 A L H < S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.793 107.8 55.3 -66.4 -28.9 14.5 16.1 -2.2 170 610 A E H < S+ 0 0 92 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.747 89.2 90.9 -77.0 -26.4 17.5 13.7 -2.2 171 611 A T S X S- 0 0 47 -4,-1.0 4,-2.2 -3,-0.3 5,-0.2 -0.476 84.6-126.2 -70.1 144.7 19.1 15.4 -5.2 172 612 A S H > S+ 0 0 95 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.752 109.0 54.0 -65.9 -25.7 21.5 18.2 -4.2 173 613 A E H > S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.903 109.1 47.2 -75.1 -43.1 19.7 20.7 -6.4 174 614 A G H > S+ 0 0 1 -6,-0.4 4,-1.7 1,-0.2 -2,-0.2 0.886 112.7 49.5 -63.7 -40.4 16.3 20.0 -4.8 175 615 A F H X S+ 0 0 49 -4,-2.2 4,-2.0 -7,-0.3 -1,-0.2 0.843 106.7 55.8 -68.3 -34.2 17.8 20.3 -1.3 176 616 A A H X S+ 0 0 57 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.857 109.6 46.6 -64.7 -36.8 19.5 23.6 -2.2 177 617 A V H X S+ 0 0 30 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.853 114.5 45.4 -71.9 -40.0 16.1 25.1 -3.2 178 618 A I H X S+ 0 0 2 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.800 113.0 52.1 -75.6 -27.6 14.3 23.8 -0.1 179 619 A K H X S+ 0 0 58 -4,-2.0 4,-2.0 2,-0.2 12,-0.3 0.768 107.2 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X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.843 109.5 53.4 -70.9 -36.8 21.8 -25.1 19.7 1253 846 C V H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.917 108.2 50.4 -60.6 -47.1 21.3 -21.3 19.5 1254 847 C M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.844 108.1 52.2 -62.1 -37.0 23.6 -20.9 22.5 1255 848 C A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.944 110.9 49.1 -61.4 -45.7 26.2 -23.1 20.8 1256 849 C G H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.810 109.8 50.8 -60.9 -34.6 25.8 -20.8 17.9 1257 850 C E H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.917 108.6 51.0 -70.6 -45.4 26.2 -17.7 20.1 1258 851 C L H X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.895 113.9 45.8 -56.1 -43.0 29.4 -19.0 21.7 1259 852 C S H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 3,-0.2 0.972 116.9 39.5 -70.4 -55.3 30.9 -19.7 18.3 1260 853 C L H X S+ 0 0 50 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.883 116.2 51.6 -64.3 -38.4 30.1 -16.4 16.5 1261 854 C M H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.795 109.5 50.9 -68.4 -29.8 30.8 -14.3 19.6 1262 855 C A H X S+ 0 0 0 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.2 0.847 108.9 51.4 -72.6 -36.5 34.2 -16.0 19.9 1263 856 C A H <>S+ 0 0 22 -4,-1.8 5,-1.9 2,-0.2 4,-0.3 0.868 112.2 45.7 -67.2 -38.8 35.0 -15.3 16.3 1264 857 C L H ><5S+ 0 0 11 -4,-1.9 3,-0.6 1,-0.2 -1,-0.2 0.841 112.9 50.6 -72.2 -35.1 34.1 -11.6 16.7 1265 858 C A H 3<5S+ 0 0 24 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.771 103.9 58.4 -73.7 -28.3 36.1 -11.4 20.0 1266 859 C A T 3<5S- 0 0 45 -4,-1.5 -1,-0.2 -138,-0.1 -2,-0.2 0.519 123.2-103.7 -81.6 -8.9 39.2 -13.0 18.3 1267 860 C G T < 5 + 0 0 48 -3,-0.6 2,-0.5 1,-0.3 -3,-0.2 0.550 67.3 150.4 101.9 11.1 39.2 -10.1 15.8 1268 861 C H < + 0 0 120 -5,-1.9 240,-0.4 1,-0.2 -1,-0.3 -0.658 13.9 173.1 -74.3 120.0 37.7 -11.8 12.7 1269 862 C L + 0 0 22 -2,-0.5 2,-0.3 1,-0.1 -1,-0.2 0.612 65.0 41.0-103.2 -18.4 35.9 -9.1 10.6 1270 863 C V 0 0 49 1,-0.2 -1,-0.1 217,-0.1 213,-0.1 -0.945 360.0 360.0-128.4 152.5 35.1 -11.3 7.6 1271 864 C K 0 0 135 -2,-0.3 -1,-0.2 -3,-0.1 -303,-0.1 0.803 360.0 360.0 -99.6 360.0 33.9 -14.9 7.2 1272 !* 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 1273 442 D P 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.4 35.4 -57.4 4.7 1274 443 D R - 0 0 130 1,-0.2 5,-0.0 2,-0.0 0, 0.0 -0.595 360.0 -88.0 -97.3 160.9 39.2 -57.2 4.9 1275 444 D P - 0 0 79 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 -0.028 37.9-107.1 -58.8 173.7 41.3 -56.3 8.0 1276 445 D N S S+ 0 0 33 1,-0.2 4,-0.2 2,-0.1 -2,-0.0 0.295 106.7 68.5 -93.6 6.9 42.3 -52.7 9.0 1277 446 D E S S+ 0 0 128 1,-0.1 3,-0.5 2,-0.1 4,-0.3 0.756 93.0 57.1 -93.0 -29.4 46.0 -52.8 8.0 1278 447 D E S S+ 0 0 120 -3,-0.3 -2,-0.1 1,-0.2 -1,-0.1 0.504 101.5 59.0 -78.2 -5.4 45.5 -53.1 4.2 1279 448 D C S S+ 0 0 11 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.640 84.7 72.6-100.8 -19.2 43.4 -49.8 4.1 1280 449 D L 0 0 98 -3,-0.5 -1,-0.1 -4,-0.2 -2,-0.1 0.743 360.0 360.0 -74.1 -23.3 45.9 -47.2 5.5 1281 450 D Q 0 0 186 -4,-0.3 -2,-0.1 2,-0.1 -3,-0.1 0.892 360.0 360.0 -72.3 360.0 48.0 -47.3 2.3 1282 ! 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 1283 458 D G 0 0 68 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -91.4 43.9 -44.9 -3.0 1284 459 D A > + 0 0 16 25,-0.4 3,-0.8 1,-0.2 26,-0.1 0.646 360.0 71.4 -79.3 -17.5 40.6 -44.3 -1.2 1285 460 D K T 3 S+ 0 0 150 1,-0.2 -1,-0.2 25,-0.1 25,-0.0 0.780 90.4 58.8 -68.3 -29.4 38.6 -45.3 -4.3 1286 461 D F T 3 S+ 0 0 163 -3,-0.5 -1,-0.2 2,-0.0 2,-0.1 0.502 94.9 79.8 -83.8 -6.1 39.5 -49.0 -4.0 1287 462 D L S < S- 0 0 29 -3,-0.8 2,-0.2 -4,-0.1 -3,-0.0 -0.457 75.3-118.8 -97.2 171.4 38.0 -49.4 -0.5 1288 463 D S > - 0 0 53 -2,-0.1 4,-1.6 1,-0.1 3,-0.3 -0.577 25.6-107.8-106.9 171.0 34.4 -49.9 0.7 1289 464 D D H > S+ 0 0 56 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.859 120.6 52.4 -68.4 -37.5 32.1 -47.9 3.0 1290 465 D A H > S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.755 107.2 56.7 -65.3 -26.8 32.4 -50.4 5.8 1291 466 D E H > S+ 0 0 8 -3,-0.3 4,-0.6 2,-0.2 -2,-0.2 0.919 109.1 40.5 -72.2 -48.6 36.2 -50.1 5.5 1292 467 D I H X S+ 0 0 8 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.808 114.9 54.3 -73.3 -31.7 36.6 -46.4 6.0 1293 468 D I H X S+ 0 0 12 -4,-1.6 4,-1.4 1,-0.2 3,-0.5 0.919 105.9 51.7 -63.8 -46.2 34.0 -46.5 8.7 1294 469 D Q H X S+ 0 0 92 -4,-1.6 4,-0.6 1,-0.2 6,-0.3 0.624 102.2 61.8 -71.4 -13.9 35.9 -49.2 10.6 1295 470 D L H <>S+ 0 0 8 -4,-0.6 5,-1.5 2,-0.2 6,-1.3 0.874 111.4 37.0 -74.3 -39.9 39.0 -47.0 10.4 1296 471 D V H <5S+ 0 0 31 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.1 0.708 111.5 62.5 -80.8 -19.6 37.3 -44.3 12.4 1297 472 D N H <5S+ 0 0 87 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.599 112.2 33.5 -88.7 -16.0 35.5 -46.8 14.7 1298 473 D A T <5S- 0 0 56 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.189 118.2-110.7-112.9 9.4 38.7 -48.4 16.2 1299 474 D K T 5S+ 0 0 184 2,-0.2 -3,-0.2 -3,-0.1 -4,-0.1 0.653 74.4 136.6 73.9 19.9 40.5 -44.9 16.0 1300 475 D H S - 0 0 41 0, 0.0 3,-0.8 0, 0.0 4,-0.4 -0.419 24.9-126.4 -67.0 154.6 41.0 -39.0 12.7 1303 478 D A T 3 S+ 0 0 56 1,-0.2 3,-0.5 2,-0.2 4,-0.3 0.711 102.7 65.6 -79.6 -24.9 37.6 -37.9 11.4 1304 479 D Y T 3 S+ 0 0 182 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.330 94.1 65.0 -82.4 7.4 38.7 -34.4 10.1 1305 480 D K S X> S+ 0 0 99 -3,-0.8 3,-1.1 2,-0.1 4,-1.1 0.796 85.0 69.6 -88.7 -38.0 40.9 -36.2 7.5 1306 481 D L H 3> S+ 0 0 16 -3,-0.5 4,-1.1 -4,-0.4 -2,-0.1 0.653 76.4 82.3 -63.6 -20.5 38.1 -37.9 5.5 1307 482 D E H 34 S+ 0 0 106 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.896 109.5 20.9 -47.1 -48.8 36.8 -34.6 4.0 1308 483 D T H <4 S+ 0 0 124 -3,-1.1 -1,-0.2 -4,-0.1 -2,-0.2 0.730 109.5 77.5 -94.6 -27.9 39.5 -34.6 1.3 1309 484 D L H < S+ 0 0 78 -4,-1.1 -25,-0.4 -26,-0.0 -2,-0.1 0.878 79.2 73.1 -57.6 -49.8 40.4 -38.4 1.2 1310 485 D I S < S- 0 0 19 -4,-1.1 -25,-0.1 1,-0.1 6,-0.0 -0.361 72.3-144.8 -70.1 148.4 37.4 -39.8 -0.7 1311 486 D E S S+ 0 0 133 -2,-0.0 2,-0.2 4,-0.0 -1,-0.1 0.970 76.8 56.6 -80.8 -59.2 37.3 -39.0 -4.5 1312 487 D T S > S- 0 0 79 1,-0.1 4,-0.8 2,-0.0 3,-0.4 -0.521 72.2-140.5 -79.7 142.5 33.6 -38.6 -5.3 1313 488 D H H > S+ 0 0 97 1,-0.2 4,-1.2 -2,-0.2 3,-0.2 0.841 99.1 58.7 -69.4 -35.7 31.5 -36.0 -3.4 1314 489 D E H > S+ 0 0 69 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.715 103.3 51.7 -70.4 -23.8 28.4 -38.2 -3.1 1315 490 D R H > S+ 0 0 41 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.716 102.4 60.3 -84.2 -24.7 30.3 -40.9 -1.2 1316 491 D G H X S+ 0 0 18 -4,-0.8 4,-1.6 -3,-0.2 -2,-0.2 0.884 107.8 46.3 -61.0 -39.4 31.6 -38.3 1.2 1317 492 D V H X S+ 0 0 0 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.908 110.7 51.4 -69.8 -43.3 27.9 -37.7 2.0 1318 493 D S H X S+ 0 0 15 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.891 111.6 46.5 -62.3 -43.2 27.0 -41.4 2.3 1319 494 D I H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.884 109.1 54.1 -65.6 -43.0 29.9 -42.1 4.8 1320 495 D R H X S+ 0 0 49 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.875 109.9 49.6 -60.5 -37.6 29.1 -39.1 6.9 1321 496 D R H X S+ 0 0 25 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.906 109.9 49.0 -64.2 -45.8 25.5 -40.4 7.2 1322 497 D Q H X S+ 0 0 61 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.867 110.5 50.6 -68.4 -38.0 26.6 -43.9 8.2 1323 498 D L H < S+ 0 0 30 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.880 113.1 47.7 -59.1 -41.5 28.9 -42.5 10.8 1324 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-2,-0.1 0.456 129.7 21.0 -92.4 -0.6 24.1 -3.6 -18.4 1655 830 D N S > S- 0 0 84 -3,-0.4 3,-2.0 0, 0.0 -1,-0.2 -0.398 86.0-136.4-164.1 75.5 23.1 -2.1 -15.0 1656 831 D P T 3 S+ 0 0 63 0, 0.0 -179,-0.3 0, 0.0 -3,-0.1 -0.115 89.9 16.9 -45.9 105.4 24.9 -3.7 -12.0 1657 832 D G T 3> S+ 0 0 0 -5,-0.2 4,-1.4 -181,-0.1 5,-0.1 0.390 87.4 110.8 115.6 2.1 22.3 -4.3 -9.3 1658 833 D E H <> S+ 0 0 54 -3,-2.0 4,-1.8 2,-0.2 5,-0.1 0.721 75.6 56.1 -82.5 -24.8 19.0 -4.1 -11.3 1659 834 D N H > S+ 0 0 29 -4,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 109.4 46.5 -70.4 -39.2 18.2 -7.8 -11.0 1660 835 D A H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.844 113.4 50.0 -70.3 -35.8 18.4 -7.6 -7.1 1661 836 D R H X S+ 0 0 54 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.894 110.5 50.3 -63.9 -42.3 16.3 -4.4 -7.3 1662 837 D Q H X S+ 0 0 14 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.838 110.1 48.6 -68.5 -36.0 13.8 -6.2 -9.5 1663 838 D L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.855 110.9 51.0 -73.2 -36.6 13.5 -9.2 -7.2 1664 839 D A H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.912 110.8 49.0 -63.7 -44.8 13.0 -6.9 -4.2 1665 840 D R H X S+ 0 0 29 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.891 110.9 50.6 -59.8 -41.3 10.3 -5.1 -6.1 1666 841 D I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.862 108.1 52.9 -66.1 -36.2 8.7 -8.6 -6.9 1667 842 D V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.910 109.8 48.1 -65.2 -41.7 8.8 -9.5 -3.2 1668 843 D C H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.857 113.6 46.6 -69.1 -35.9 7.0 -6.3 -2.2 1669 844 D G H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.847 113.9 47.5 -75.2 -35.6 4.3 -6.8 -4.9 1670 845 D T H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.785 110.6 53.2 -72.2 -30.3 3.9 -10.5 -4.0 1671 846 D V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.912 108.5 49.7 -68.5 -43.0 3.7 -9.4 -0.3 1672 847 D M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.904 108.9 52.3 -61.4 -41.8 1.0 -7.0 -1.2 1673 848 D A H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.915 108.5 51.0 -60.4 -44.1 -0.9 -9.8 -3.1 1674 849 D G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.845 109.2 51.3 -60.2 -36.9 -0.7 -12.0 0.0 1675 850 D E H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 5,-0.3 0.893 106.6 53.8 -67.5 -43.7 -2.1 -9.1 2.2 1676 851 D L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.916 112.8 43.1 -55.4 -46.7 -5.0 -8.6 -0.2 1677 852 D S H X S+ 0 0 2 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.928 116.6 42.9 -71.1 -49.0 -6.1 -12.3 -0.0 1678 853 D L H X S+ 0 0 51 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.872 115.0 49.9 -68.2 -39.1 -5.7 -12.9 3.7 1679 854 D M H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.840 110.6 50.5 -69.1 -35.2 -7.3 -9.6 4.8 1680 855 D A H X S+ 0 0 0 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.891 110.8 50.0 -64.4 -41.6 -10.2 -10.3 2.5 1681 856 D A H <>S+ 0 0 16 -4,-2.0 5,-1.3 1,-0.2 3,-0.3 0.945 111.7 47.4 -61.2 -48.3 -10.5 -13.8 4.1 1682 857 D L H ><5S+ 0 0 10 -4,-2.6 3,-1.2 1,-0.2 -1,-0.2 0.863 110.2 52.7 -62.6 -37.6 -10.4 -12.3 7.5 1683 858 D A H 3<5S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.5 56.9 -71.6 -30.1 -13.0 -9.6 6.6 1684 859 D A T 3<5S- 0 0 50 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.174 127.5 -97.7 -86.1 16.5 -15.4 -12.3 5.3 1685 860 D G T < 5 + 0 0 48 -3,-1.2 2,-0.5 -597,-0.3 -3,-0.2 0.908 61.5 169.7 72.5 46.1 -15.3 -14.0 8.7 1686 861 D H < + 0 0 79 -5,-1.3 -596,-0.5 -4,-0.1 -1,-0.2 -0.812 16.1 161.1 -91.4 124.3 -12.8 -16.7 8.1 1687 862 D L + 0 0 25 -2,-0.5 -615,-0.1 -598,-0.1 -1,-0.0 -0.686 58.1 64.4-134.9 76.4 -11.6 -18.6 11.2 1688 863 D V 0 0 70 -2,-0.2 -616,-0.1 -616,-0.0 -619,-0.1 0.205 360.0 360.0-117.6-144.5 -10.2 -21.6 9.3 1689 864 D K 0 0 141 -621,-0.1 -2,-0.1 -2,-0.0 -303,-0.0 -0.830 360.0 360.0-109.9 360.0 -8.4 -23.1 7.3