==== 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 3CCZ . 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 . 1623 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56137.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1148 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 254 15.7 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 . 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 . 92 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 120 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 557 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 4 8 2 2 5 2 4 12 1 4 3 0 0 4 0 0 0 0 0 0 0 0 4 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 1 10 5 2 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 4 4 0 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 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 0 224 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 128.8 113.7 27.3 -24.8 2 442 A P - 0 0 92 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.622 360.0-148.9 -76.7 113.8 110.1 27.9 -23.5 3 443 A R - 0 0 80 -2,-0.6 5,-0.0 1,-0.1 0, 0.0 -0.324 27.8 -85.8 -77.2 161.1 107.9 29.0 -26.4 4 444 A P > - 0 0 81 0, 0.0 4,-1.3 0, 0.0 3,-0.2 -0.211 34.0-115.6 -63.2 159.2 104.9 31.4 -25.9 5 445 A N H > S+ 0 0 46 1,-0.2 4,-1.0 2,-0.2 -2,-0.1 0.763 112.3 58.5 -68.3 -27.9 101.4 30.0 -25.0 6 446 A E H > S+ 0 0 163 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.870 106.7 46.5 -69.9 -38.8 99.9 31.1 -28.3 7 447 A E H > S+ 0 0 85 -3,-0.2 4,-1.1 1,-0.2 3,-0.3 0.816 107.9 56.9 -72.8 -32.4 102.3 29.1 -30.4 8 448 A C H X S+ 0 0 0 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.763 100.9 57.8 -70.6 -27.1 101.8 26.0 -28.2 9 449 A L H X S+ 0 0 78 -4,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.796 104.9 51.0 -72.2 -30.6 98.0 26.0 -28.7 10 450 A Q H X S+ 0 0 145 -4,-0.7 4,-0.9 -3,-0.3 -2,-0.2 0.817 108.2 51.3 -75.8 -33.2 98.5 25.7 -32.5 11 451 A I H < S+ 0 0 8 -4,-1.1 7,-1.0 2,-0.2 3,-0.3 0.901 111.7 45.5 -71.6 -43.2 100.9 22.7 -32.3 12 452 A L H < S+ 0 0 37 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.828 109.8 56.1 -69.0 -33.9 98.6 20.7 -30.1 13 453 A G H < S+ 0 0 68 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.738 88.6 94.4 -70.6 -25.1 95.5 21.5 -32.2 14 454 A N S >X S- 0 0 67 -4,-0.9 4,-1.0 -3,-0.3 3,-0.8 -0.445 73.1-139.7 -71.3 142.7 97.2 20.2 -35.4 15 455 A A T 34 S+ 0 0 107 1,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.845 97.7 48.0 -72.8 -36.4 96.5 16.5 -36.3 16 456 A E T 34 S+ 0 0 170 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.206 117.5 37.8-102.8 41.8 100.0 15.5 -37.3 17 457 A K T X4 S+ 0 0 98 -3,-0.8 3,-0.5 -5,-0.1 4,-0.3 0.300 71.2 163.7-145.6 -70.3 101.9 17.0 -34.3 18 458 A G G >< - 0 0 23 -7,-1.0 3,-0.5 -4,-1.0 4,-0.4 -0.255 67.0 -42.4 74.1-161.0 100.1 16.6 -31.0 19 459 A A G 3 S+ 0 0 5 25,-0.4 3,-0.2 1,-0.2 -1,-0.2 0.595 117.5 86.7 -79.6 -13.0 101.8 17.0 -27.5 20 460 A K G < S+ 0 0 154 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.850 89.9 47.0 -56.1 -39.7 104.9 15.0 -28.6 21 461 A F S < S+ 0 0 127 -3,-0.5 -1,-0.2 -4,-0.3 -2,-0.2 0.810 99.6 82.4 -75.2 -31.9 106.6 18.2 -30.0 22 462 A L S S- 0 0 4 -4,-0.4 2,-0.1 -3,-0.2 -14,-0.0 -0.383 77.2-130.1 -71.3 153.2 105.8 20.3 -26.9 23 463 A S > - 0 0 48 -2,-0.1 4,-1.3 1,-0.1 5,-0.1 -0.303 24.6 -99.7 -96.1-179.8 108.1 20.0 -23.9 24 464 A D H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.913 122.2 48.6 -65.7 -45.4 107.3 19.4 -20.1 25 465 A A H > S+ 0 0 57 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.797 108.9 53.9 -66.9 -31.0 107.7 23.2 -19.3 26 466 A E H > S+ 0 0 8 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.835 107.5 48.7 -74.9 -35.0 105.4 24.2 -22.2 27 467 A I H X S+ 0 0 5 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.836 108.4 55.1 -72.3 -34.1 102.5 21.9 -21.1 28 468 A I H X S+ 0 0 24 -4,-1.5 4,-1.5 1,-0.2 -2,-0.2 0.820 105.4 54.1 -65.0 -32.0 102.8 23.2 -17.5 29 469 A Q H X S+ 0 0 71 -4,-1.0 4,-0.9 1,-0.2 -1,-0.2 0.850 107.2 49.8 -70.6 -36.2 102.4 26.8 -18.9 30 470 A L H <>S+ 0 0 1 -4,-1.2 5,-1.9 2,-0.2 6,-1.2 0.838 109.3 50.7 -72.6 -35.1 99.1 25.8 -20.7 31 471 A V H ><5S+ 0 0 13 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.873 109.3 50.7 -71.1 -38.6 97.5 24.2 -17.6 32 472 A N H 3<5S+ 0 0 95 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.725 107.7 53.9 -71.8 -22.8 98.3 27.3 -15.4 33 473 A A T 3<5S- 0 0 45 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.318 114.4-117.3 -92.4 5.3 96.7 29.6 -18.0 34 474 A K T < 5S+ 0 0 186 -3,-1.1 -3,-0.2 2,-0.3 -2,-0.1 0.679 84.2 117.1 66.8 22.3 93.5 27.5 -18.0 35 475 A H S - 0 0 54 0, 0.0 3,-0.9 0, 0.0 -5,-0.1 -0.576 14.1-136.8 -75.0 140.2 92.3 21.2 -17.7 38 478 A A G > S+ 0 0 35 1,-0.2 3,-1.2 -2,-0.2 4,-0.1 0.818 99.6 60.7 -67.8 -32.9 94.7 19.3 -15.4 39 479 A Y G 3 S+ 0 0 147 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.616 101.7 53.8 -74.2 -13.0 92.3 16.3 -14.9 40 480 A K G <> S+ 0 0 97 -3,-0.9 4,-1.6 1,-0.2 -1,-0.3 -0.053 70.9 116.1-106.4 30.5 92.3 15.6 -18.7 41 481 A L H <> S+ 0 0 1 -3,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.743 71.6 56.6 -71.1 -23.2 96.1 15.4 -19.0 42 482 A E H 4 S+ 0 0 15 -3,-0.3 -1,-0.2 2,-0.2 9,-0.1 0.893 108.4 44.0 -74.4 -42.4 95.9 11.7 -19.9 43 483 A T H 4 S+ 0 0 127 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.892 116.9 44.3 -71.3 -42.0 93.6 12.1 -23.0 44 484 A L H < S+ 0 0 75 -4,-1.6 -25,-0.4 -26,-0.0 -2,-0.2 0.897 104.5 68.7 -72.9 -43.2 95.4 15.1 -24.5 45 485 A I S < S- 0 0 9 -4,-1.3 6,-0.1 -5,-0.2 -27,-0.0 -0.459 94.3-109.1 -81.6 152.3 99.0 13.9 -24.0 46 486 A E S S+ 0 0 95 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 0.787 97.0 24.4 -49.5 -39.7 100.4 11.0 -26.1 47 487 A T S > S- 0 0 69 1,-0.1 4,-1.0 0, 0.0 -2,-0.1 -0.879 70.3-126.2-130.1 160.6 100.6 8.6 -23.1 48 488 A H H > S+ 0 0 78 -2,-0.3 4,-1.5 1,-0.2 3,-0.2 0.895 108.4 55.8 -68.2 -42.3 98.9 8.1 -19.7 49 489 A E H > S+ 0 0 71 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.836 105.0 50.7 -63.4 -38.0 102.2 8.0 -17.8 50 490 A R H > S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.822 106.1 56.9 -70.8 -31.9 103.4 11.4 -19.1 51 491 A G H X S+ 0 0 0 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.862 107.9 47.2 -62.9 -38.1 100.1 12.9 -18.1 52 492 A V H X S+ 0 0 0 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.825 108.9 55.6 -71.3 -33.6 100.7 11.7 -14.5 53 493 A S H X S+ 0 0 19 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.870 106.9 49.5 -66.5 -38.4 104.2 13.1 -14.7 54 494 A I H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.877 109.6 50.8 -69.3 -39.9 102.9 16.6 -15.6 55 495 A R H X S+ 0 0 11 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.802 107.6 54.4 -68.1 -29.9 100.4 16.6 -12.7 56 496 A R H X S+ 0 0 30 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.849 108.2 48.8 -69.8 -36.4 103.1 15.6 -10.3 57 497 A Q H X S+ 0 0 65 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.846 111.0 50.2 -71.9 -36.4 105.3 18.6 -11.4 58 498 A L H X S+ 0 0 10 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.888 113.6 46.4 -63.9 -41.7 102.3 21.0 -11.0 59 499 A L H X S+ 0 0 5 -4,-1.8 4,-1.2 1,-0.2 3,-0.4 0.849 104.3 61.2 -70.8 -36.4 101.6 19.6 -7.5 60 500 A S H < S+ 0 0 27 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.846 100.7 53.4 -63.5 -37.2 105.3 19.8 -6.4 61 501 A K H < S+ 0 0 126 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 106.4 53.5 -65.9 -34.7 105.4 23.6 -6.8 62 502 A K H < S+ 0 0 136 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.782 94.8 86.5 -70.8 -29.4 102.3 24.0 -4.6 63 503 A L S < S- 0 0 16 -4,-1.2 725,-0.1 -3,-0.2 726,-0.1 -0.354 81.6-128.1 -75.5 153.3 103.9 22.0 -1.7 64 504 A S S S+ 0 0 110 724,-0.3 -1,-0.1 1,-0.2 724,-0.1 0.812 106.5 47.5 -68.0 -32.1 106.1 23.6 0.9 65 505 A E S > S- 0 0 85 722,-0.3 3,-1.2 723,-0.1 -1,-0.2 -0.935 74.6-162.0-111.5 105.3 108.7 20.8 0.2 66 506 A P T 3 S+ 0 0 85 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.766 87.6 55.9 -55.9 -31.1 109.2 20.5 -3.6 67 507 A S T > S+ 0 0 53 1,-0.2 3,-0.8 2,-0.1 4,-0.2 -0.071 71.2 113.2 -96.3 33.1 110.8 17.0 -3.3 68 508 A S T < S+ 0 0 1 -3,-1.2 3,-0.5 1,-0.2 719,-0.2 0.864 75.9 49.2 -70.8 -37.2 107.8 15.4 -1.4 69 509 A L T > S+ 0 0 5 -3,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.286 77.7 108.7 -88.2 10.2 106.9 13.1 -4.3 70 510 A Q T < S+ 0 0 128 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.880 88.3 32.0 -54.5 -44.7 110.4 11.7 -4.8 71 511 A Y T 3 S+ 0 0 124 -3,-0.5 -1,-0.3 709,-0.2 -2,-0.1 0.335 92.4 102.2-102.3 4.1 109.7 8.3 -3.3 72 512 A L S < S- 0 0 2 -3,-0.8 22,-0.1 712,-0.1 710,-0.0 -0.827 72.6-138.8 -82.0 112.6 106.0 8.1 -4.4 73 513 A P + 0 0 32 0, 0.0 20,-1.8 0, 0.0 -2,-0.1 -0.260 41.8 149.4 -75.6 161.6 106.3 5.8 -7.5 74 514 A Y > + 0 0 38 18,-0.2 3,-0.8 1,-0.1 18,-0.1 0.382 37.5 102.5-158.8 -30.8 104.4 6.2 -10.8 75 515 A R T 3 S+ 0 0 155 1,-0.2 3,-0.1 -23,-0.0 -1,-0.1 -0.274 82.0 19.9 -69.1 153.1 106.4 4.9 -13.8 76 516 A D T 3 S+ 0 0 150 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.708 89.5 132.6 63.4 26.0 105.7 1.6 -15.5 77 517 A Y < - 0 0 27 -3,-0.8 2,-1.4 16,-0.0 -1,-0.2 -0.870 64.5-116.9-108.5 142.7 102.1 1.3 -14.1 78 518 A N + 0 0 70 -2,-0.4 3,-0.5 1,-0.2 4,-0.4 -0.602 40.7 165.9 -80.0 90.5 99.0 0.5 -16.2 79 519 A Y > + 0 0 3 -2,-1.4 4,-2.0 1,-0.2 3,-0.2 0.579 56.8 85.8 -81.4 -11.0 97.0 3.7 -16.0 80 520 A S T 4 S+ 0 0 57 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.849 93.8 41.7 -60.6 -37.8 94.7 2.7 -18.9 81 521 A L T 4 S+ 0 0 67 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.695 114.3 52.5 -83.1 -22.1 92.3 0.7 -16.7 82 522 A V T >>>S+ 0 0 0 -4,-0.4 4,-2.1 -3,-0.2 5,-1.6 0.795 87.8 92.9 -81.1 -31.8 92.4 3.3 -13.8 83 523 A M B 3<5S+a 87 0A 42 -4,-2.0 5,-0.1 1,-0.3 445,-0.0 -0.499 103.1 0.5 -74.9 124.8 91.5 6.3 -16.0 84 524 A G T 345S+ 0 0 85 3,-0.6 -1,-0.3 -2,-0.3 4,-0.1 0.796 135.8 51.7 71.0 32.2 87.7 7.0 -16.1 85 525 A A T <45S+ 0 0 53 -3,-1.3 443,-0.8 2,-0.3 -2,-0.2 0.409 115.3 13.2-157.6 -49.5 87.0 4.0 -13.8 86 526 A C T <5S+ 0 0 1 -4,-2.1 2,-0.3 1,-0.3 444,-0.2 0.673 115.6 12.1-121.2 -29.4 88.9 3.8 -10.5 87 527 A C B < -a 83 0A 3 -5,-1.6 -3,-0.6 439,-0.2 -2,-0.3 -0.997 50.9-155.2-156.4 152.7 90.7 7.1 -9.7 88 528 A E S S+ 0 0 37 -2,-0.3 420,-0.2 1,-0.2 3,-0.2 -0.860 76.1 24.5-126.4 163.9 91.1 10.8 -10.7 89 529 A N S S- 0 0 24 -2,-0.3 419,-1.3 -50,-0.2 2,-0.2 0.876 84.9-163.5 50.0 44.3 93.8 13.4 -10.4 90 530 A V E +B 507 0B 1 417,-0.2 417,-0.3 -3,-0.2 -1,-0.2 -0.371 28.8 170.9 -71.3 127.1 96.3 10.5 -10.3 91 531 A I E - 0 0 0 415,-2.4 2,-0.3 1,-0.2 416,-0.1 0.217 62.9 -67.1-116.6 10.9 99.8 11.3 -9.1 92 532 A G E -B 506 0B 0 414,-0.7 414,-2.0 -18,-0.1 2,-0.3 -0.993 61.8 -69.0 142.8-151.0 101.1 7.7 -8.9 93 533 A Y E -B 505 0B 23 -20,-1.8 431,-0.0 -2,-0.3 -16,-0.0 -0.977 25.4-129.0-144.6 159.7 100.4 4.6 -6.8 94 534 A M E -B 504 0B 0 410,-2.2 410,-1.4 -2,-0.3 2,-0.5 -0.919 22.7-142.9-113.6 107.2 100.9 3.3 -3.2 95 535 A P E -B 503 0B 2 0, 0.0 687,-0.1 0, 0.0 -2,-0.0 -0.584 15.4-168.3 -73.8 120.3 102.6 -0.1 -2.9 96 536 A I E -B 502 0B 9 406,-1.3 406,-2.4 -2,-0.5 22,-0.1 -0.956 28.2-114.8-108.7 119.2 101.1 -2.1 -0.1 97 537 A P E -B 501 0B 0 0, 0.0 20,-2.0 0, 0.0 2,-0.5 -0.247 28.5-151.2 -52.1 135.4 103.1 -5.3 0.8 98 538 A V E -BC 500 116B 0 402,-2.0 401,-2.5 18,-0.2 402,-0.6 -0.969 15.3-178.1-115.4 121.9 101.2 -8.5 0.1 99 539 A G E -BC 498 115B 0 16,-2.3 16,-2.2 -2,-0.5 2,-0.4 -0.668 20.8-124.9-107.8 170.0 101.9 -11.6 2.2 100 540 A V E - C 0 114B 14 397,-1.1 2,-0.5 396,-0.3 27,-0.1 -0.961 16.4-169.7-121.8 135.0 100.5 -15.1 1.9 101 541 A A E - C 0 113B 0 12,-1.9 12,-1.9 -2,-0.4 3,-0.2 -0.975 37.6 -72.3-123.7 114.0 98.7 -17.2 4.6 102 542 A G E - 0 0 18 -2,-0.5 10,-0.2 1,-0.3 2,-0.1 -0.985 44.6 -61.4 176.5-175.5 98.0 -20.8 3.9 103 543 A P E - 0 0 53 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.422 56.5-168.2 -74.0 136.7 97.1 -23.4 3.0 104 544 A L E - C 0 111B 0 7,-2.6 7,-1.5 -3,-0.2 2,-0.9 -0.861 14.3-145.9 -89.6 109.9 93.6 -22.6 4.4 105 545 A C E + C 0 110B 24 -2,-0.8 34,-2.4 25,-0.4 2,-0.4 -0.699 34.3 160.1 -82.3 106.3 91.8 -25.9 4.4 106 546 A L E > -dC 139 109B 0 3,-1.5 3,-0.8 -2,-0.9 34,-0.2 -0.981 60.9 -13.1-138.3 120.9 88.2 -24.9 3.7 107 547 A D T 3 S- 0 0 27 32,-2.7 33,-0.1 -2,-0.4 -1,-0.1 0.904 126.0 -53.6 55.5 48.4 85.4 -27.1 2.3 108 548 A E T 3 S+ 0 0 209 31,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.698 123.1 95.8 61.6 23.8 87.7 -30.0 1.3 109 549 A K E < -C 106 0B 96 -3,-0.8 -3,-1.5 -5,-0.1 2,-0.4 -0.763 68.9-125.4-130.0 175.7 89.9 -27.5 -0.7 110 550 A E E -C 105 0B 135 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.996 21.1-169.3-132.4 131.4 93.0 -25.5 -0.1 111 551 A F E -C 104 0B 13 -7,-1.5 -7,-2.6 -2,-0.4 2,-0.7 -0.952 19.5-149.6-124.3 136.2 93.5 -21.8 -0.6 112 552 A Q E - 0 0 16 -2,-0.4 -10,-0.2 268,-0.3 -2,-0.0 -0.927 30.1-151.1-100.1 109.5 96.6 -19.5 -0.6 113 553 A V E -C 101 0B 0 -12,-1.9 -12,-1.9 -2,-0.7 2,-0.2 -0.737 1.6-143.0 -96.5 117.4 95.1 -16.3 0.8 114 554 A P E -C 100 0B 0 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 -0.552 16.6-170.7 -77.8 142.3 96.7 -12.9 -0.2 115 555 A M E -C 99 0B 0 -16,-2.2 -16,-2.3 -2,-0.2 2,-0.7 -0.904 11.1-158.9-142.3 103.6 96.9 -10.2 2.5 116 556 A A E +C 98 0B 2 203,-2.4 2,-0.3 -2,-0.4 -18,-0.2 -0.759 40.4 130.7 -85.9 112.4 97.9 -6.6 1.8 117 557 A T - 0 0 14 -20,-2.0 -2,-0.1 -2,-0.7 618,-0.1 -0.990 53.6-153.5-158.1 158.1 99.0 -5.0 5.0 118 558 A T + 0 0 18 -2,-0.3 2,-0.6 616,-0.1 377,-0.2 0.144 65.9 112.2-118.5 15.0 101.7 -3.0 6.8 119 559 A E S > S- 0 0 60 656,-0.1 3,-1.3 196,-0.1 4,-0.4 -0.815 70.4-123.6 -92.6 118.8 101.0 -4.4 10.2 120 560 A G T 3 S+ 0 0 30 373,-0.7 374,-0.1 -2,-0.6 375,-0.1 -0.312 88.7 11.3 -62.8 140.8 103.8 -6.5 11.5 121 561 A C T 3> S+ 0 0 91 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V H >>S+ 0 0 12 -3,-0.4 4,-1.7 2,-0.2 5,-1.3 0.825 107.7 54.8 -70.8 -34.0 78.7 28.6 -4.1 685 717 B V H <5S+ 0 0 0 -4,-1.9 6,-1.7 3,-0.2 -1,-0.2 0.860 114.3 42.5 -65.9 -34.0 76.1 25.9 -3.1 686 718 B R H <5S+ 0 0 134 -4,-1.5 4,-0.4 4,-0.2 -2,-0.2 0.914 122.6 33.6 -78.0 -46.1 74.2 26.7 -6.4 687 719 B E H <5S+ 0 0 98 -4,-2.2 -3,-0.2 2,-0.1 -2,-0.2 0.890 130.4 27.5 -84.1 -44.2 77.1 26.9 -8.8 688 720 B V T <5S+ 0 0 21 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.914 131.5 33.5 -84.9 -49.6 79.6 24.4 -7.4 689 721 B L S - 0 0 75 -2,-0.2 4,-1.7 -3,-0.1 5,-0.1 -0.863 25.1-119.7-121.6 162.7 70.3 24.7 -2.6 693 725 B T H > S+ 0 0 11 64,-0.3 4,-2.0 -2,-0.3 5,-0.2 0.871 115.7 54.0 -63.3 -39.1 71.0 25.2 1.1 694 726 B E H > S+ 0 0 148 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.880 108.9 47.6 -63.3 -40.9 67.4 24.3 1.9 695 727 B A H > S+ 0 0 29 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.843 110.7 52.1 -70.0 -34.8 67.7 21.0 0.0 696 728 B M H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.882 110.2 47.5 -69.4 -40.4 71.1 20.1 1.7 697 729 B I H X 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-1,-0.2 1,-0.2 -2,-0.2 0.813 109.1 54.9 -65.9 -29.6 66.0 4.1 11.9 711 743 B A T 3<5S- 0 0 0 -4,-1.5 -455,-2.0 -5,-0.2 -456,-0.3 0.537 115.9-115.4 -81.3 -8.5 68.9 1.8 10.9 712 744 B G T < 5 + 0 0 2 -3,-1.1 -457,-1.5 -4,-0.4 2,-0.3 0.917 52.9 173.6 75.4 46.2 70.1 1.5 14.5 713 745 B S < - 0 0 0 -5,-2.1 2,-0.5 -459,-0.2 -1,-0.2 -0.660 26.6-162.3 -92.4 139.7 73.4 3.2 14.0 714 746 B I S S- 0 0 18 -2,-0.3 -52,-0.1 -461,-0.1 -408,-0.1 -0.961 85.5 -10.3-116.5 107.8 75.9 4.1 16.8 715 747 B G S S+ 0 0 0 -2,-0.5 30,-2.3 797,-0.2 2,-0.2 0.405 104.5 108.5 88.8 0.3 78.3 6.7 15.5 716 748 B G E +i 745 0B 0 -463,-0.3 2,-1.1 28,-0.2 30,-0.1 -0.278 28.2 133.3-105.7 46.9 77.2 6.5 11.8 717 749 B Y E +i 746 0B 0 28,-1.0 30,-2.5 -2,-0.2 2,-0.3 -0.385 54.7 79.5 -93.9 56.1 75.4 9.8 11.4 718 750 B N S S- 0 0 2 -2,-1.1 27,-0.0 28,-0.2 28,-0.0 -0.922 78.3-118.3-153.0 171.5 77.1 10.7 8.2 719 751 B A S S- 0 0 3 -2,-0.3 -1,-0.1 1,-0.0 -469,-0.1 0.960 92.5 -26.8 -83.7 -60.2 77.1 10.0 4.4 720 752 B H S >> S+ 0 0 9 94,-0.2 3,-1.2 2,-0.1 4,-1.0 -0.075 72.6 143.7-157.3 45.9 80.5 8.5 3.6 721 753 B A H 3> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.853 76.4 64.5 -51.6 -36.6 83.2 9.5 6.1 722 754 B A H 3> S+ 0 0 0 -471,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.803 94.8 58.2 -61.2 -33.5 84.6 6.0 5.8 723 755 B N H <> S+ 0 0 10 -3,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.921 112.4 38.8 -60.3 -46.2 85.4 6.6 2.1 724 756 B I H X S+ 0 0 0 -4,-1.0 4,-2.3 -3,-0.3 5,-0.3 0.911 116.2 50.4 -73.4 -45.0 87.7 9.6 2.9 725 757 B V H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.938 113.0 47.1 -57.8 -48.3 89.2 8.1 6.1 726 758 B T H X S+ 0 0 7 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.878 111.8 49.8 -62.9 -41.1 90.1 4.9 4.2 727 759 B A H X S+ 0 0 2 -4,-1.6 -203,-2.4 -5,-0.2 4,-1.6 0.910 115.0 42.5 -67.2 -43.3 91.6 6.6 1.2 728 760 B I H X S+ 0 0 0 -4,-2.3 4,-1.9 -205,-0.2 6,-0.2 0.868 112.4 55.8 -68.9 -36.8 93.8 8.9 3.3 729 761 B Y H <>S+ 0 0 0 -4,-2.3 5,-2.7 -5,-0.3 -2,-0.2 0.910 108.9 44.6 -65.7 -44.0 94.8 6.0 5.6 730 762 B I H ><5S+ 0 0 13 -4,-2.1 3,-0.8 -206,-0.2 -1,-0.2 0.896 115.4 48.8 -67.8 -39.5 96.1 3.8 2.8 731 763 B A H 3<5S+ 0 0 0 -4,-1.6 54,-0.4 1,-0.2 -2,-0.2 0.836 115.3 43.9 -66.9 -32.7 97.9 6.7 1.2 732 764 B C T 3<5S- 0 0 0 -4,-1.9 -1,-0.2 53,-0.1 -2,-0.2 0.116 115.6-104.3-108.2 18.5 99.6 7.8 4.5 733 765 B G T < 5 + 0 0 5 -3,-0.8 43,-0.8 1,-0.2 44,-0.5 0.738 68.9 147.4 70.0 26.4 100.6 4.4 5.9 734 766 B Q < - 0 0 14 -5,-2.7 2,-1.0 -6,-0.2 -1,-0.2 -0.347 63.1 -89.9 -83.9 168.9 97.9 4.1 8.6 735 767 B D > - 0 0 28 34,-0.2 3,-1.3 1,-0.2 34,-0.1 -0.747 38.3-163.9 -78.5 103.8 96.2 1.0 9.8 736 768 B A G > S+ 0 0 10 -2,-1.0 3,-1.4 1,-0.3 -1,-0.2 0.731 83.8 66.5 -66.8 -23.8 93.3 0.8 7.4 737 769 B A G > S+ 0 0 1 1,-0.3 3,-1.3 2,-0.1 -1,-0.3 0.747 86.8 70.6 -67.1 -24.6 91.5 -1.7 9.6 738 770 B Q G <> S+ 0 0 1 -3,-1.3 4,-2.3 1,-0.3 3,-0.4 0.413 70.2 92.9 -74.3 3.2 91.1 1.1 12.2 739 771 B N H <> + 0 0 0 -3,-1.4 4,-1.3 1,-0.2 -1,-0.3 0.691 69.0 75.9 -64.0 -19.1 88.6 2.7 9.7 740 772 B V H <4 S+ 0 0 4 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.951 114.9 15.7 -56.4 -51.7 85.9 0.8 11.7 741 773 B G H >4 S+ 0 0 3 -3,-0.4 3,-1.4 -4,-0.2 26,-0.2 0.762 120.5 64.4 -93.4 -31.2 86.2 3.3 14.6 742 774 B S H 3< S+ 0 0 0 -4,-2.3 -3,-0.2 1,-0.3 25,-0.2 0.729 95.1 62.3 -67.3 -22.5 88.0 6.2 12.9 743 775 B S T 3< S+ 0 0 7 -4,-1.3 -1,-0.3 -5,-0.2 -22,-0.2 0.537 70.8 128.1 -80.9 -10.2 85.1 6.7 10.5 744 776 B N < + 0 0 10 -3,-1.4 23,-0.4 23,-0.2 2,-0.3 -0.276 36.3 153.2 -47.7 125.1 82.8 7.6 13.5 745 777 B C E -i 716 0B 0 -30,-2.3 -28,-1.0 20,-0.2 2,-0.5 -0.967 39.8-156.5-162.6 138.3 81.2 10.9 12.4 746 778 B I E -iJ 717 764B 0 18,-1.6 18,-1.8 -2,-0.3 2,-0.5 -0.994 17.5-159.8-118.3 124.9 78.1 13.1 12.9 747 779 B T E - J 0 763B 0 -30,-2.5 2,-0.4 -2,-0.5 16,-0.2 -0.914 10.1-172.3-107.0 122.6 77.5 15.6 10.1 748 780 B L E - J 0 762B 17 14,-2.3 14,-2.1 -2,-0.5 2,-0.4 -0.914 4.1-175.4-118.1 143.5 75.2 18.6 10.9 749 781 B M E + J 0 761B 13 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -1.000 10.0 157.1-138.9 136.8 73.8 21.2 8.6 750 782 B E E - J 0 760B 43 10,-1.8 10,-2.3 -2,-0.4 2,-0.1 -0.962 44.2 -84.7-148.5 168.5 71.8 24.4 9.2 751 783 B A E + J 0 759B 31 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.452 50.9 173.4 -74.4 150.0 70.9 27.7 7.6 752 784 B S E + J 0 758B 38 6,-1.8 6,-1.9 -2,-0.1 5,-0.4 -0.921 23.5 49.3-151.9 167.6 73.3 30.6 8.2 753 785 B G S > S- 0 0 39 -2,-0.3 3,-0.6 3,-0.2 7,-0.0 -0.084 91.8 -60.5 86.2 175.3 74.2 34.2 7.3 754 786 B P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.775 136.9 39.0 -69.1 -29.7 72.1 37.5 7.2 755 787 B T T 3 S- 0 0 87 -3,-0.2 -2,-0.1 0, 0.0 0, 0.0 0.417 106.1-125.1 -97.2 -2.1 69.7 36.2 4.5 756 788 B N S < S+ 0 0 109 -3,-0.6 -3,-0.2 -4,-0.1 -5,-0.0 0.756 84.6 107.0 64.3 27.9 69.5 32.7 6.1 757 789 B E + 0 0 110 -5,-0.4 -64,-0.3 -6,-0.1 2,-0.2 0.469 49.1 95.9-113.4 -8.5 70.5 31.2 2.7 758 790 B D E S- J 0 752B 33 -6,-1.9 -6,-1.8 -77,-0.1 2,-0.7 -0.528 74.2-120.5 -84.7 154.5 74.2 30.1 3.4 759 791 B L E -HJ 680 751B 0 -79,-2.4 -79,-2.2 -8,-0.2 2,-0.4 -0.842 19.5-163.9-105.6 104.4 75.0 26.6 4.5 760 792 B Y E -HJ 679 750B 13 -10,-2.3 -10,-1.8 -2,-0.7 2,-0.4 -0.723 17.2-179.3 -77.5 131.6 76.7 26.0 7.8 761 793 B I E +HJ 678 749B 0 -83,-2.3 -83,-1.9 -2,-0.4 2,-0.3 -0.994 9.5 179.5-133.4 141.0 78.2 22.5 8.0 762 794 B S E -HJ 677 748B 1 -14,-2.1 -14,-2.3 -2,-0.4 2,-0.4 -0.993 10.8-161.6-136.2 147.6 80.1 20.7 10.8 763 795 B C E -HJ 676 747B 0 -87,-2.0 -87,-2.1 -2,-0.3 2,-0.5 -0.999 6.6-166.2-125.5 131.7 81.7 17.3 11.1 764 796 B T E +HJ 675 746B 4 -18,-1.8 -18,-1.6 -2,-0.4 -89,-0.2 -0.972 7.3 179.1-122.6 118.6 82.5 15.8 14.5 765 797 B M E > -H 674 0B 0 -91,-2.6 -91,-2.3 -2,-0.5 3,-0.6 -0.901 3.6-178.3-123.5 98.6 84.8 12.7 14.7 766 798 B P E 3 S+ 0 0 16 0, 0.0 -96,-1.1 0, 0.0 -1,-0.1 0.544 74.8 39.5 -78.0 -8.1 85.4 11.6 18.3 767 799 B S E 3 + 0 0 0 -23,-0.4 2,-0.8 -98,-0.2 -94,-0.2 -0.238 60.2 158.1-145.1 50.7 87.7 8.6 17.5 768 800 B I E < -H 672 0B 0 -96,-2.4 -96,-2.7 -3,-0.6 2,-0.8 -0.681 26.5-157.8 -75.2 110.5 90.3 9.2 14.7 769 801 B E + 0 0 1 -2,-0.8 2,-0.3 -31,-0.3 -34,-0.2 -0.831 34.7 142.7 -96.3 108.4 93.1 6.7 15.4 770 802 B I + 0 0 2 -2,-0.8 2,-0.3 -147,-0.2 33,-0.1 -0.947 25.5 174.0-151.2 158.9 96.1 8.1 13.6 771 803 B G - 0 0 2 -2,-0.3 -149,-0.2 -148,-0.1 -150,-0.1 -0.985 27.3-149.5-166.5 158.1 99.9 8.6 13.6 772 804 B T S S+ 0 0 0 -151,-2.2 21,-1.4 -2,-0.3 2,-0.3 0.295 83.7 56.9-118.0 5.4 102.9 9.9 11.6 773 805 B V B S+a 622 0J 44 -152,-0.6 -150,-0.6 19,-0.1 3,-0.1 -0.985 91.3 19.4-134.6 149.2 105.5 7.6 13.0 774 806 B G S > S+ 0 0 34 -2,-0.3 3,-1.5 1,-0.2 2,-0.1 0.130 94.9 37.7 81.0 161.7 105.8 3.8 13.2 775 807 B G G > S- 0 0 42 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 -0.387 127.9 -8.4 68.2-135.1 104.0 1.0 11.2 776 808 B G G > S+ 0 0 2 -43,-0.8 3,-1.0 1,-0.2 -1,-0.3 0.583 124.4 75.3 -72.2 -12.1 103.4 1.7 7.5 777 809 B T G < S+ 0 0 3 -3,-1.5 -1,-0.2 -44,-0.5 -2,-0.2 0.493 82.2 70.0 -78.3 -5.1 104.6 5.3 8.0 778 810 B N G < S+ 0 0 77 -3,-1.2 -1,-0.2 -45,-0.2 2,-0.2 0.617 81.8 92.9 -80.4 -16.1 108.1 4.0 8.1 779 811 B L S <> S- 0 0 2 -3,-1.0 4,-1.5 -4,-0.1 5,-0.1 -0.538 79.5-130.0 -82.0 147.5 107.9 3.1 4.4 780 812 B L H > S+ 0 0 53 2,-0.2 4,-1.1 1,-0.2 -709,-0.2 0.871 103.2 50.3 -70.1 -43.3 109.2 5.7 1.9 781 813 B P H > S+ 0 0 15 0, 0.0 4,-0.9 0, 0.0 3,-0.3 0.889 113.5 47.9 -60.5 -38.3 106.2 5.8 -0.5 782 814 B Q H > S+ 0 0 0 -6,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.824 108.2 55.5 -70.5 -32.7 103.9 6.3 2.4 783 815 B Q H X S+ 0 0 36 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.714 98.8 62.2 -71.6 -23.4 106.2 9.0 3.8 784 816 B A H X S+ 0 0 0 -4,-1.1 4,-1.1 -3,-0.3 -1,-0.2 0.871 105.2 45.9 -68.7 -38.3 105.9 10.9 0.4 785 817 B C H X S+ 0 0 0 -4,-0.9 4,-1.0 -54,-0.4 -2,-0.2 0.827 112.5 50.3 -73.4 -34.1 102.1 11.3 1.0 786 818 B L H X>S+ 0 0 0 -4,-1.4 5,-2.2 1,-0.2 4,-0.6 0.844 107.6 55.1 -68.3 -34.1 102.7 12.4 4.6 787 819 B Q H <5S+ 0 0 53 -4,-1.7 -722,-0.3 1,-0.2 -2,-0.2 0.780 98.6 62.0 -71.5 -28.5 105.3 14.9 3.3 788 820 B M H <5S+ 0 0 9 -4,-1.1 -268,-0.3 1,-0.2 -724,-0.3 0.922 109.6 41.0 -58.1 -45.2 102.7 16.4 0.9 789 821 B L H <5S- 0 0 7 -4,-1.0 -1,-0.2 -270,-0.1 -2,-0.2 0.542 112.8-120.7 -82.5 -10.0 100.7 17.4 4.0 790 822 B G T <5S+ 0 0 46 -4,-0.6 -3,-0.2 -3,-0.2 -2,-0.1 0.774 86.3 104.8 75.8 29.2 103.8 18.5 6.0 791 823 B V < + 0 0 1 -5,-2.2 -4,-0.2 14,-0.1 2,-0.1 0.176 38.8 138.2-125.4 14.3 103.1 16.0 8.8 792 824 B Q - 0 0 68 -6,-0.5 -19,-0.1 -9,-0.1 -20,-0.1 -0.417 63.3 -12.7 -68.2 134.3 105.8 13.3 8.1 793 825 B G S S- 0 0 10 -21,-1.4 2,-0.4 -2,-0.1 9,-0.1 -0.145 103.7 -32.2 76.2-168.2 107.6 12.0 11.2 794 826 B A - 0 0 60 8,-0.1 2,-0.6 7,-0.1 -2,-0.1 -0.756 52.1-129.8 -94.7 130.0 107.7 13.2 14.8 795 827 B C - 0 0 32 -2,-0.4 6,-0.2 3,-0.2 5,-0.2 -0.695 19.6-166.7 -75.8 117.3 107.5 17.0 15.6 796 828 B K S S+ 0 0 197 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.0 0.913 82.5 48.9 -73.8 -45.4 110.5 17.7 17.9 797 829 B D S S+ 0 0 167 1,-0.3 -1,-0.2 2,-0.0 -2,-0.1 0.755 128.3 20.5 -68.9 -26.7 109.4 21.2 19.1 798 830 B N S > S- 0 0 71 0, 0.0 3,-1.8 0, 0.0 -1,-0.3 -0.731 84.8-137.1-147.7 89.7 105.9 20.1 19.9 799 831 B P T 3 S+ 0 0 67 0, 0.0 -179,-0.2 0, 0.0 -3,-0.1 -0.207 89.1 16.1 -50.9 131.7 105.3 16.3 20.4 800 832 B G T 3> S+ 0 0 2 -5,-0.2 4,-1.7 -181,-0.1 5,-0.1 0.498 89.1 118.2 82.5 7.9 102.1 15.1 18.8 801 833 B E H <> S+ 0 0 48 -3,-1.8 4,-1.6 -6,-0.2 5,-0.1 0.870 75.3 46.2 -74.6 -39.3 101.7 18.2 16.6 802 834 B N H > S+ 0 0 25 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.861 113.9 47.9 -70.8 -38.4 102.0 16.3 13.2 803 835 B A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.871 113.0 48.7 -69.2 -38.9 99.6 13.5 14.3 804 836 B R H X S+ 0 0 28 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.840 110.7 52.0 -67.7 -34.3 97.1 16.1 15.5 805 837 B Q H X S+ 0 0 11 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.875 108.3 49.8 -69.5 -39.3 97.5 18.0 12.2 806 838 B L H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.839 108.6 53.7 -68.8 -33.2 96.8 14.9 10.1 807 839 B A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.854 108.5 49.3 -67.6 -36.7 93.7 14.3 12.2 808 840 B R H X S+ 0 0 32 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.860 110.1 51.4 -68.7 -36.8 92.5 17.8 11.5 809 841 B I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.864 109.5 50.1 -68.1 -37.5 93.1 17.2 7.8 810 842 B V H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.931 111.9 46.8 -65.9 -46.3 91.1 14.0 7.8 811 843 B C H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.843 114.4 48.4 -65.3 -34.4 88.2 15.6 9.5 812 844 B G H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.867 112.1 47.2 -73.5 -38.8 88.3 18.5 7.1 813 845 B T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.824 109.1 55.5 -71.3 -33.4 88.5 16.3 4.0 814 846 B V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.923 106.8 50.8 -62.0 -43.5 85.6 14.2 5.4 815 847 B M H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.862 108.5 51.6 -63.2 -36.9 83.6 17.4 5.6 816 848 B A H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.917 110.9 48.3 -64.0 -43.1 84.5 18.1 1.9 817 849 B G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.850 109.3 53.3 -64.2 -35.9 83.3 14.6 1.0 818 850 B E H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.3 0.907 107.2 51.3 -66.0 -43.5 80.1 15.2 3.0 819 851 B L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.908 114.4 42.8 -59.6 -44.2 79.4 18.4 1.1 820 852 B S H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.922 116.7 42.9 -73.8 -48.1 79.8 16.8 -2.3 821 853 B L H X S+ 0 0 45 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.902 114.7 50.5 -66.6 -42.0 78.0 13.5 -1.8 822 854 B M H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.840 109.7 52.0 -65.0 -33.6 75.1 15.1 0.0 823 855 B A H X S+ 0 0 0 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.860 108.5 50.8 -68.1 -37.5 74.8 17.6 -2.8 824 856 B A H X S+ 0 0 50 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.842 112.4 46.5 -68.3 -34.8 74.6 14.8 -5.4 825 857 B L H < S+ 0 0 28 -4,-1.8 -582,-0.2 2,-0.2 -2,-0.2 0.850 112.0 50.0 -76.3 -36.3 71.9 13.0 -3.4 826 858 B A H < S+ 0 0 24 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 112.6 46.5 -69.8 -38.5 69.8 16.2 -2.9 827 859 B A H < 0 0 59 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.847 360.0 360.0 -73.5 -36.7 69.9 17.1 -6.6 828 860 B G < 0 0 97 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.566 360.0 360.0 72.0 360.0 69.1 13.6 -7.8 829 !* 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 0.0 830 444 C P 0 0 79 0, 0.0 23,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.2 19.8 27.5 41.5 831 445 C N > + 0 0 102 3,-0.0 4,-0.6 22,-0.0 3,-0.1 0.595 360.0 31.5-128.7 -60.5 22.1 29.7 39.3 832 446 C E H > S+ 0 0 150 1,-0.2 4,-0.9 2,-0.2 3,-0.4 0.811 116.7 57.5 -75.8 -32.5 22.6 33.2 40.8 833 447 C E H > S+ 0 0 119 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.743 96.5 64.1 -70.9 -25.1 22.3 32.0 44.4 834 448 C C H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.825 99.6 52.1 -68.6 -33.6 25.2 29.5 44.0 835 449 C L H X S+ 0 0 101 -4,-0.6 4,-0.9 -3,-0.4 -1,-0.2 0.839 106.9 52.7 -71.5 -35.2 27.8 32.3 43.4 836 450 C Q H X S+ 0 0 139 -4,-0.9 4,-0.7 1,-0.2 3,-0.2 0.855 108.1 49.8 -69.8 -37.2 26.8 34.2 46.5 837 451 C I H < S+ 0 0 47 -4,-1.3 3,-0.4 1,-0.2 -1,-0.2 0.821 105.9 57.1 -71.7 -32.5 27.2 31.2 48.8 838 452 C L H < S+ 0 0 72 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.774 97.8 62.7 -69.1 -28.1 30.7 30.4 47.4 839 453 C G H < 0 0 67 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 360.0 360.0 -66.1 -34.6 31.9 33.8 48.3 840 454 C N < 0 0 164 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.774 360.0 360.0 -73.0 360.0 31.4 33.2 52.0 841 ! 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 0.0 842 458 C G > 0 0 28 0, 0.0 4,-0.6 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0-164.3 31.4 28.1 51.7 843 459 C A T 4 + 0 0 12 16,-0.3 3,-0.1 1,-0.2 -5,-0.1 0.684 360.0 71.2 -76.2 -20.1 31.4 25.1 49.3 844 460 C K T 4 S+ 0 0 139 1,-0.2 -1,-0.2 -6,-0.1 -6,-0.1 0.819 94.5 53.6 -66.0 -32.7 30.0 22.8 52.0 845 461 C F T 4 S+ 0 0 153 -3,-0.5 -1,-0.2 -8,-0.1 -2,-0.2 0.812 97.0 80.7 -72.1 -32.0 26.6 24.5 51.8 846 462 C L S < S- 0 0 9 -4,-0.6 2,-0.1 -3,-0.1 -12,-0.0 -0.424 79.1-128.2 -74.7 151.9 26.4 23.9 48.0 847 463 C S > - 0 0 47 -2,-0.1 4,-1.2 1,-0.1 -1,-0.1 -0.318 22.2-105.2 -93.1 177.4 25.3 20.5 46.7 848 464 C D H > S+ 0 0 52 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.887 119.0 49.9 -69.8 -41.8 27.0 18.2 44.1 849 465 C A H > S+ 0 0 72 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.733 106.3 57.4 -70.7 -24.3 24.5 19.0 41.3 850 466 C E H > S+ 0 0 43 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.870 105.4 48.0 -74.6 -39.2 25.0 22.8 41.9 851 467 C I H X S+ 0 0 31 -4,-1.2 4,-1.4 1,-0.2 3,-0.2 0.840 110.0 53.0 -70.5 -34.7 28.8 22.8 41.3 852 468 C I H < S+ 0 0 30 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 101.8 60.9 -68.4 -30.6 28.4 20.7 38.1 853 469 C Q H < S+ 0 0 92 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 102.1 51.8 -66.0 -35.0 25.9 23.3 36.8 854 470 C L H < 0 0 85 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.932 360.0 360.0 -65.5 -47.9 28.5 26.0 36.9 855 471 C V < 0 0 136 -4,-1.4 -3,-0.1 0, 0.0 -2,-0.0 0.675 360.0 360.0 -85.8 360.0 31.0 23.9 34.9 856 ! 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 0.0 857 482 C E 0 0 107 0, 0.0 9,-0.1 0, 0.0 10,-0.1 0.000 360.0 360.0 360.0 -56.1 40.9 21.8 44.3 858 483 C T + 0 0 134 1,-0.1 5,-0.0 8,-0.0 8,-0.0 0.731 360.0 59.2 -84.4 -25.8 41.1 24.9 46.5 859 484 C L S S+ 0 0 113 -17,-0.0 -16,-0.3 -16,-0.0 -1,-0.1 0.936 96.2 67.1 -69.1 -49.0 37.4 25.8 46.0 860 485 C I S S- 0 0 23 1,-0.1 6,-0.1 -17,-0.1 -16,-0.0 -0.431 82.3-133.4 -75.4 150.8 36.0 22.5 47.5 861 486 C E S S+ 0 0 81 -2,-0.1 2,-0.2 4,-0.0 -1,-0.1 0.990 80.7 35.0 -73.3 -64.2 36.6 21.9 51.2 862 487 C T S > S- 0 0 78 1,-0.1 4,-0.9 0, 0.0 -2,-0.0 -0.510 73.6-128.8 -94.3 162.3 37.8 18.2 51.4 863 488 C H H > S+ 0 0 86 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.857 106.5 52.9 -78.9 -37.6 40.0 16.4 48.9 864 489 C E H > S+ 0 0 69 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.818 105.9 54.7 -68.4 -33.0 37.8 13.3 48.5 865 490 C R H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.850 104.2 55.3 -67.3 -36.2 34.8 15.5 47.7 866 491 C G H X S+ 0 0 8 -4,-0.9 4,-1.2 1,-0.2 -1,-0.2 0.815 105.9 51.2 -65.2 -32.9 36.8 17.1 44.9 867 492 C V H X S+ 0 0 0 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.827 106.9 54.8 -72.6 -33.5 37.5 13.7 43.3 868 493 C S H X S+ 0 0 21 -4,-1.3 4,-1.3 2,-0.2 -2,-0.2 0.893 108.2 46.8 -68.3 -42.7 33.8 12.8 43.4 869 494 C I H X S+ 0 0 8 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.844 110.8 53.6 -67.8 -35.0 32.7 15.9 41.4 870 495 C R H X S+ 0 0 54 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.808 107.0 52.2 -68.8 -30.6 35.5 15.3 38.9 871 496 C R H X S+ 0 0 31 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.812 107.9 50.7 -74.0 -33.1 34.3 11.8 38.3 872 497 C Q H X S+ 0 0 61 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.873 110.6 48.1 -73.4 -39.7 30.7 12.9 37.7 873 498 C L H X S+ 0 0 36 -4,-1.7 4,-0.6 1,-0.2 -2,-0.2 0.864 113.1 49.5 -65.3 -38.2 31.7 15.5 35.1 874 499 C L H >X S+ 0 0 7 -4,-1.4 4,-1.0 1,-0.2 3,-0.6 0.837 102.4 61.7 -69.1 -35.2 33.9 12.9 33.4 875 500 C S H 3< S+ 0 0 25 -4,-1.5 3,-0.2 1,-0.2 -1,-0.2 0.833 99.7 53.5 -65.3 -35.5 31.2 10.2 33.3 876 501 C K H 3< S+ 0 0 126 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.740 106.8 53.5 -71.0 -25.1 28.9 12.4 31.0 877 502 C K H << S+ 0 0 140 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.739 94.5 87.7 -78.3 -25.7 31.8 12.8 28.5 878 503 C L S < S- 0 0 12 -4,-1.0 714,-0.1 -3,-0.2 713,-0.1 -0.470 78.4-133.6 -78.2 146.4 32.3 9.0 28.3 879 504 C S S S+ 0 0 110 712,-0.3 -1,-0.1 1,-0.3 712,-0.1 0.809 108.3 37.4 -65.3 -32.2 30.4 6.8 25.8 880 505 C E S > S- 0 0 104 710,-0.3 3,-1.5 711,-0.2 -1,-0.3 -0.883 71.7-172.5-119.6 94.8 29.8 4.4 28.7 881 506 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3,-0.1 -0.213 23.4-104.2 -83.6 175.7 41.1 -19.1 64.8 1243 464 D D H > S+ 0 0 44 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.889 120.8 50.3 -66.4 -41.7 43.8 -16.9 63.3 1244 465 D A H > S+ 0 0 62 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.696 104.5 59.7 -71.6 -21.0 46.2 -17.4 66.2 1245 466 D E H > S+ 0 0 105 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.855 106.8 44.2 -76.0 -36.8 45.8 -21.2 66.1 1246 467 D I H X S+ 0 0 50 -4,-1.1 4,-1.0 -3,-0.2 -2,-0.2 0.846 112.1 52.4 -76.5 -36.2 47.1 -21.6 62.5 1247 468 D I H X S+ 0 0 8 -4,-1.4 4,-1.5 1,-0.2 3,-0.3 0.890 109.5 48.1 -67.7 -41.6 50.0 -19.2 63.0 1248 469 D Q H < S+ 0 0 141 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.698 103.8 63.3 -72.9 -20.8 51.3 -21.1 66.1 1249 470 D L H < S+ 0 0 141 -4,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.856 105.8 43.4 -71.4 -37.1 51.0 -24.4 64.3 1250 471 D V H < 0 0 112 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.1 0.918 360.0 360.0 -74.3 -46.3 53.6 -23.5 61.7 1251 472 D N < 0 0 136 -4,-1.5 -1,-0.2 0, 0.0 -2,-0.2 0.553 360.0 360.0 -74.0 360.0 56.1 -22.0 64.2 1252 ! 0 0 0 0, 0.0 0, 0.0 0, 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36.7 -7.4 14.4 1602 831 D P T 3 S+ 0 0 45 0, 0.0 -179,-0.2 0, 0.0 -3,-0.1 -0.269 88.1 16.5 -52.8 123.7 39.3 -9.4 16.3 1603 832 D G T 3> S+ 0 0 0 -5,-0.2 4,-1.7 -181,-0.1 5,-0.1 0.444 89.2 115.7 93.4 4.9 42.2 -7.2 17.5 1604 833 D E H <> S+ 0 0 50 -3,-1.9 4,-1.7 -6,-0.2 5,-0.1 0.832 75.1 49.2 -76.2 -35.3 40.4 -3.9 17.0 1605 834 D N H > S+ 0 0 25 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.874 112.6 46.9 -70.6 -40.0 40.4 -3.0 20.7 1606 835 D A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.876 113.6 49.2 -68.6 -38.9 44.1 -3.7 21.1 1607 836 D R H X S+ 0 0 34 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.865 110.3 51.4 -66.1 -37.9 44.9 -1.7 18.0 1608 837 D Q H X S+ 0 0 12 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.880 108.9 49.9 -67.5 -39.7 42.7 1.2 19.2 1609 838 D L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.850 108.7 53.0 -68.2 -35.0 44.5 1.3 22.5 1610 839 D A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.862 108.3 50.5 -66.6 -37.0 47.9 1.3 20.8 1611 840 D R H X S+ 0 0 33 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.863 110.5 49.9 -66.5 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73.2 360.0 63.2 27.5 29.6