==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-JUN-07 2Q6B . COMPND 2 MOLECULE: 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.PAVLOVSKY,J.A.PFEFFERKORN,M.S.HARRIS,B.C.FINZEL . 1688 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59662.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1196 70.9 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 . 254 15.0 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 . 100 5.9 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 . 556 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 47 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 6 4 8 0 2 6 5 4 10 5 3 0 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 . 3 1 12 0 4 0 11 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 3 1 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 1 440 A H 0 0 148 0, 0.0 3,-0.0 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 170.0 -2.5 -9.9 -29.3 2 441 A E - 0 0 162 1,-0.1 2,-0.3 24,-0.0 22,-0.1 -0.508 360.0 -89.8 -82.2 148.9 -3.3 -13.3 -27.8 3 442 A P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.436 44.8-140.7 -61.3 118.9 -0.5 -15.6 -26.6 4 443 A R - 0 0 65 -2,-0.3 5,-0.1 1,-0.2 0, 0.0 -0.370 34.1 -77.4 -76.2 158.6 0.7 -17.8 -29.5 5 444 A P > - 0 0 86 0, 0.0 4,-1.7 0, 0.0 3,-0.3 -0.090 43.2-110.1 -55.1 158.2 1.6 -21.5 -28.9 6 445 A N H > S+ 0 0 45 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.791 115.5 54.2 -66.6 -32.2 5.0 -22.3 -27.4 7 446 A E H > S+ 0 0 166 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.876 109.5 48.8 -67.8 -38.4 6.5 -23.8 -30.6 8 447 A E H >> S+ 0 0 85 -3,-0.3 4,-1.5 1,-0.2 3,-0.5 0.870 108.8 52.8 -67.8 -38.8 5.6 -20.7 -32.6 9 448 A C H 3X S+ 0 0 0 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.786 106.6 53.1 -69.2 -29.1 7.2 -18.4 -29.9 10 449 A L H 3X S+ 0 0 64 -4,-1.2 4,-1.1 2,-0.2 -1,-0.2 0.632 105.3 54.4 -82.1 -16.9 10.5 -20.3 -30.0 11 450 A Q H << S+ 0 0 142 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.875 111.2 43.7 -79.4 -42.6 10.8 -19.9 -33.8 12 451 A I H >< S+ 0 0 8 -4,-1.5 7,-1.7 1,-0.2 3,-1.0 0.850 111.9 55.2 -68.8 -35.6 10.5 -16.1 -33.6 13 452 A L H 3< S+ 0 0 31 -4,-1.4 3,-0.4 1,-0.3 2,-0.2 0.912 112.1 42.2 -63.4 -45.3 12.8 -15.9 -30.6 14 453 A G T 3< S+ 0 0 66 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 -0.270 91.4 93.0 -97.8 45.1 15.6 -17.8 -32.5 15 454 A N S < S- 0 0 62 -3,-1.0 -1,-0.2 -2,-0.2 -2,-0.1 0.836 70.3-150.1 -97.5 -47.7 15.1 -16.0 -35.8 16 455 A A S S+ 0 0 92 -4,-0.4 -4,-0.1 -3,-0.4 -3,-0.0 -0.206 91.0 68.3 95.2 -36.4 17.7 -13.1 -35.5 17 456 A E S S+ 0 0 160 2,-0.0 -5,-0.1 -5,-0.0 -3,-0.0 0.736 120.7 13.9 -76.3 -25.8 15.5 -10.8 -37.7 18 457 A K S > S+ 0 0 90 -6,-0.3 3,-0.7 -5,-0.0 -5,-0.1 0.771 81.5 162.4-113.9 -68.3 12.9 -10.7 -34.9 19 458 A G G > S- 0 0 17 -7,-1.7 3,-1.1 1,-0.2 -5,-0.1 -0.321 70.2 -32.2 72.1-158.1 14.1 -12.0 -31.5 20 459 A A G > S+ 0 0 8 25,-0.5 3,-1.1 1,-0.2 -1,-0.2 0.618 125.5 76.6 -73.0 -14.8 12.3 -11.2 -28.2 21 460 A K G < S+ 0 0 138 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.790 93.4 51.7 -64.1 -29.8 11.1 -7.8 -29.4 22 461 A F G < S+ 0 0 109 -3,-1.1 2,-0.3 -10,-0.1 -1,-0.2 0.377 98.2 82.9 -92.4 2.4 8.4 -9.5 -31.6 23 462 A L S < S- 0 0 5 -3,-1.1 2,-0.1 -5,-0.1 -14,-0.0 -0.773 79.9-121.1 -99.4 152.8 7.1 -11.5 -28.6 24 463 A S > - 0 0 43 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.305 25.6-109.9 -79.1 170.5 4.7 -10.1 -26.0 25 464 A D H > S+ 0 0 49 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.893 122.6 52.7 -65.5 -41.6 5.4 -9.9 -22.2 26 465 A A H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.838 107.1 52.6 -61.6 -35.1 2.8 -12.7 -21.7 27 466 A E H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.849 108.8 47.6 -73.0 -37.1 4.6 -14.9 -24.3 28 467 A I H X S+ 0 0 3 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.864 111.2 52.8 -68.8 -36.9 8.1 -14.6 -22.7 29 468 A I H X S+ 0 0 11 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.856 107.3 50.3 -68.7 -37.6 6.5 -15.4 -19.3 30 469 A Q H X S+ 0 0 52 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.749 108.5 53.1 -74.8 -25.2 4.8 -18.6 -20.5 31 470 A L H <>S+ 0 0 0 -4,-1.0 5,-1.2 2,-0.2 6,-0.6 0.863 110.3 46.6 -74.5 -38.4 8.1 -19.8 -22.1 32 471 A V H ><5S+ 0 0 11 -4,-1.6 3,-0.7 1,-0.2 -2,-0.2 0.836 112.4 51.0 -71.2 -34.1 10.0 -19.4 -18.8 33 472 A N H 3<5S+ 0 0 94 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.776 111.2 47.3 -73.6 -29.0 7.2 -21.1 -16.8 34 473 A A T 3<5S- 0 0 49 -4,-1.0 -1,-0.2 -5,-0.1 -2,-0.2 0.282 118.2-111.4 -95.4 8.1 7.2 -24.1 -19.2 35 474 A K T < 5S+ 0 0 161 -3,-0.7 -3,-0.2 2,-0.2 -2,-0.1 0.993 84.3 110.9 57.8 75.3 11.0 -24.5 -19.1 36 475 A H S S+ 0 0 44 -3,-0.1 3,-1.0 -4,-0.1 4,-0.1 -0.386 102.6 57.9 147.2 -56.0 15.1 -18.0 -16.7 40 479 A Y T > S+ 0 0 195 1,-0.2 3,-1.0 2,-0.1 -3,-0.0 0.702 94.9 69.3 -72.1 -21.3 18.5 -16.5 -16.0 41 480 A K T 3> S+ 0 0 112 1,-0.2 4,-0.7 2,-0.1 -1,-0.2 0.327 73.5 88.1 -82.7 7.5 19.2 -16.2 -19.7 42 481 A L H <> S+ 0 0 14 -3,-1.0 4,-1.6 2,-0.1 -1,-0.2 0.688 73.1 75.1 -72.8 -20.7 16.6 -13.4 -20.0 43 482 A E H <4 S+ 0 0 97 -3,-1.0 -1,-0.1 1,-0.2 -2,-0.1 0.972 108.1 22.0 -58.1 -63.9 19.2 -10.8 -19.2 44 483 A T H 4 S+ 0 0 126 1,-0.2 -1,-0.2 8,-0.0 -2,-0.1 0.640 119.1 63.8 -82.7 -15.6 21.2 -10.6 -22.5 45 484 A L H < S+ 0 0 64 -4,-0.7 -25,-0.5 -26,-0.0 -1,-0.2 0.829 86.9 79.2 -79.3 -34.8 18.4 -12.0 -24.6 46 485 A I S < S- 0 0 10 -4,-1.6 6,-0.1 -3,-0.1 -27,-0.0 -0.495 80.1-134.5 -73.5 147.4 15.9 -9.1 -24.0 47 486 A E S S+ 0 0 84 -2,-0.2 2,-0.2 4,-0.0 -1,-0.1 0.986 76.5 33.2 -71.1 -64.0 16.7 -6.0 -26.1 48 487 A T S > S- 0 0 76 1,-0.1 4,-1.0 0, 0.0 5,-0.1 -0.480 72.1-125.3 -98.7 165.1 16.4 -3.0 -23.7 49 488 A H H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.888 107.2 52.4 -75.8 -41.6 17.3 -2.6 -20.1 50 489 A E H > S+ 0 0 65 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 108.9 49.5 -64.8 -38.9 13.9 -1.3 -18.9 51 490 A R H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.811 107.7 55.3 -71.3 -30.3 12.0 -4.2 -20.5 52 491 A G H X S+ 0 0 6 -4,-1.0 4,-1.6 2,-0.2 -1,-0.2 0.845 108.8 47.8 -65.5 -36.0 14.3 -6.6 -18.8 53 492 A V H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.863 109.2 54.2 -71.1 -36.9 13.4 -5.0 -15.5 54 493 A S H X S+ 0 0 14 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.883 109.6 46.3 -64.8 -41.2 9.7 -5.2 -16.3 55 494 A I H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.871 109.7 53.6 -70.6 -39.2 9.9 -8.9 -17.0 56 495 A R H X S+ 0 0 42 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.854 109.1 51.0 -63.2 -34.4 11.9 -9.6 -13.8 57 496 A R H X S+ 0 0 24 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.876 110.0 47.7 -68.1 -41.5 9.2 -7.7 -11.9 58 497 A Q H X S+ 0 0 63 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.905 113.8 47.4 -68.9 -43.1 6.3 -9.8 -13.4 59 498 A L H < S+ 0 0 30 -4,-2.4 3,-0.4 1,-0.2 4,-0.4 0.901 114.7 47.1 -58.9 -45.5 8.2 -13.1 -12.7 60 499 A L H >< S+ 0 0 9 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.831 103.2 63.2 -67.9 -34.1 9.0 -11.9 -9.1 61 500 A S H >< S+ 0 0 23 -4,-1.9 3,-0.9 1,-0.3 -1,-0.2 0.796 96.3 57.2 -66.6 -31.2 5.4 -10.8 -8.5 62 501 A K T 3< S+ 0 0 140 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.670 102.9 56.3 -72.5 -18.2 4.0 -14.3 -8.9 63 502 A K T < S+ 0 0 144 -3,-1.1 -1,-0.2 -4,-0.4 2,-0.2 0.493 92.5 91.1 -89.9 -6.0 6.3 -15.6 -6.1 64 503 A L S < S- 0 0 18 -3,-0.9 742,-0.1 -4,-0.3 743,-0.1 -0.589 77.8-130.6 -93.1 152.8 5.0 -13.1 -3.5 65 504 A S S S+ 0 0 111 741,-0.3 -1,-0.1 1,-0.3 741,-0.1 0.865 111.2 38.3 -65.8 -38.4 2.2 -13.5 -1.0 66 505 A E S > S- 0 0 93 739,-0.3 3,-1.5 740,-0.1 -1,-0.3 -0.930 77.6-165.9-111.1 101.8 0.8 -10.2 -2.2 67 506 A P T 3 S+ 0 0 75 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.667 84.9 59.3 -64.6 -17.7 1.4 -10.1 -6.0 68 507 A S T > S+ 0 0 55 1,-0.2 3,-1.3 2,-0.1 4,-0.2 0.100 70.3 112.5 -95.7 21.3 0.7 -6.3 -6.2 69 508 A S T < S+ 0 0 2 -3,-1.5 3,-0.5 1,-0.2 736,-0.2 0.840 74.6 50.9 -61.4 -36.0 3.5 -5.5 -3.7 70 509 A L T > S+ 0 0 4 -3,-0.4 3,-1.1 1,-0.2 -1,-0.2 0.387 76.6 106.8 -87.7 3.2 5.7 -3.7 -6.4 71 510 A Q T < S+ 0 0 131 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.834 88.1 34.0 -51.0 -42.5 2.9 -1.4 -7.7 72 511 A Y T 3 S+ 0 0 128 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.370 91.5 100.6-102.8 1.3 4.3 1.8 -6.1 73 512 A L S < S- 0 0 2 -3,-1.1 22,-0.1 729,-0.1 727,-0.0 -0.819 74.3-137.9 -79.8 112.5 8.0 0.9 -6.4 74 513 A P + 0 0 33 0, 0.0 20,-2.0 0, 0.0 -2,-0.1 -0.278 42.0 149.2 -74.1 163.0 8.9 3.0 -9.5 75 514 A Y > + 0 0 25 18,-0.3 3,-0.7 1,-0.1 18,-0.1 0.385 36.1 103.0-161.4 -27.9 11.1 1.7 -12.4 76 515 A R T 3 S+ 0 0 158 1,-0.2 3,-0.1 -23,-0.0 -1,-0.1 -0.334 82.1 17.9 -73.2 153.1 10.1 3.3 -15.8 77 516 A D T 3 S+ 0 0 152 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.737 89.2 130.8 61.3 28.9 12.1 6.2 -17.5 78 517 A Y < - 0 0 27 -3,-0.7 2,-1.4 16,-0.0 -1,-0.2 -0.897 66.5-113.5-110.4 143.6 15.2 5.6 -15.4 79 518 A N > + 0 0 72 -2,-0.4 3,-0.6 1,-0.2 4,-0.2 -0.589 41.3 166.9 -81.2 90.5 18.7 5.3 -17.1 80 519 A Y G >> + 0 0 5 -2,-1.4 4,-2.4 1,-0.2 3,-0.6 0.540 57.1 87.9 -80.8 -8.9 19.7 1.7 -16.4 81 520 A S G 34 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.875 93.6 41.3 -57.8 -40.7 22.6 1.8 -18.9 82 521 A L G <4 S+ 0 0 64 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.609 116.7 51.3 -81.9 -14.2 25.0 3.1 -16.2 83 522 A V T X>>S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.2 5,-1.6 0.868 86.3 86.1 -91.9 -44.2 23.6 0.7 -13.5 84 523 A M B 3<5S+a 88 0A 31 -4,-2.4 5,-0.1 1,-0.3 462,-0.0 -0.386 105.7 5.2 -67.0 134.9 23.7 -2.8 -15.1 85 524 A G T 345S+ 0 0 83 3,-0.6 -1,-0.3 1,-0.1 4,-0.1 0.662 135.5 49.8 68.9 19.9 27.0 -4.6 -14.8 86 525 A A T <45S+ 0 0 55 -3,-1.5 460,-0.8 2,-0.4 -2,-0.2 0.501 118.0 12.3-150.2 -49.7 28.4 -1.8 -12.6 87 526 A C T <5S+ 0 0 3 -4,-2.6 2,-0.3 1,-0.3 461,-0.2 0.696 118.5 14.0-117.7 -33.0 26.2 -0.7 -9.6 88 527 A C B < -a 84 0A 1 -5,-1.6 -3,-0.6 456,-0.1 -2,-0.4 -0.995 53.4-154.3-150.8 152.0 23.4 -3.2 -9.1 89 528 A E S S+ 0 0 32 -2,-0.3 437,-0.4 1,-0.2 3,-0.2 -0.855 76.4 22.7-124.0 163.1 22.1 -6.7 -10.1 90 529 A N S S- 0 0 46 -2,-0.3 436,-0.7 435,-0.2 2,-0.2 0.882 85.2-164.0 49.4 46.6 18.7 -8.3 -10.3 91 530 A V E +B 525 0B 0 434,-0.2 434,-0.3 -3,-0.2 -1,-0.2 -0.406 29.4 169.0 -74.7 127.2 17.3 -4.8 -10.7 92 531 A I E - 0 0 0 432,-2.5 2,-0.3 -2,-0.2 433,-0.1 0.244 63.3 -64.2-116.9 8.4 13.5 -4.4 -10.1 93 532 A G E -B 524 0B 0 431,-0.7 431,-2.2 -18,-0.1 2,-0.3 -0.990 60.8 -70.4 146.4-154.5 13.4 -0.6 -10.0 94 533 A Y E -B 523 0B 24 -20,-2.0 448,-0.0 -2,-0.3 -16,-0.0 -0.986 25.3-130.4-143.2 155.3 14.6 2.3 -7.9 95 534 A M E -B 522 0B 0 427,-2.5 427,-1.2 -2,-0.3 2,-0.4 -0.907 22.2-141.6-108.8 108.3 14.0 3.8 -4.5 96 535 A P E -B 521 0B 3 0, 0.0 704,-0.1 0, 0.0 -2,-0.0 -0.577 15.6-168.2 -70.0 122.8 13.4 7.6 -4.4 97 536 A I E -B 520 0B 10 423,-1.4 423,-2.4 -2,-0.4 22,-0.1 -0.970 29.3-112.8-110.3 121.5 15.0 9.3 -1.4 98 537 A P E -B 519 0B 0 0, 0.0 20,-1.9 0, 0.0 2,-0.6 -0.240 28.0-148.1 -52.6 134.6 13.9 12.9 -0.8 99 538 A V E -BC 518 117B 0 419,-2.1 418,-2.6 18,-0.2 419,-0.6 -0.947 18.0-179.3-112.1 114.5 16.7 15.5 -1.3 100 539 A G E -BC 516 116B 0 16,-2.7 16,-2.3 -2,-0.6 2,-0.4 -0.631 20.8-126.7-101.6 168.0 16.7 18.6 0.7 101 540 A V E - C 0 115B 13 414,-1.0 2,-0.5 413,-0.3 27,-0.1 -0.962 15.0-168.0-122.9 133.4 19.2 21.5 0.6 102 541 A A E - C 0 114B 0 12,-2.2 12,-2.1 -2,-0.4 3,-0.2 -0.968 37.9 -88.5-120.1 112.3 21.1 23.0 3.6 103 542 A G E - 0 0 14 -2,-0.5 10,-0.2 1,-0.2 2,-0.1 -0.982 43.2 -46.1 178.4-177.8 22.9 26.3 2.9 104 543 A P E - 0 0 54 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.485 58.0-169.0 -73.1 144.8 24.6 28.5 2.3 105 544 A L E - C 0 112B 0 7,-2.2 7,-1.3 -3,-0.2 2,-0.8 -0.914 11.7-149.1-102.7 110.4 27.5 26.9 4.1 106 545 A C E + C 0 111B 25 -2,-0.7 34,-2.3 25,-0.3 2,-0.4 -0.721 33.1 156.4 -86.1 107.9 30.3 29.4 4.5 107 546 A L E > -dC 140 110B 1 3,-1.8 3,-0.9 -2,-0.8 34,-0.2 -0.978 63.7 -11.4-141.7 122.0 33.5 27.4 4.4 108 547 A D T 3 S- 0 0 24 32,-2.8 33,-0.1 -2,-0.4 -1,-0.1 0.924 127.0 -54.3 52.5 50.0 37.0 28.6 3.5 109 548 A E T 3 S+ 0 0 206 31,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.668 120.9 100.0 62.7 21.3 35.7 31.9 2.1 110 549 A K E < -C 107 0B 102 -3,-0.9 -3,-1.8 -5,-0.1 2,-0.4 -0.797 67.1-126.7-127.2 169.4 33.3 30.1 -0.3 111 550 A E E -C 106 0B 137 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.985 22.6-169.0-125.3 132.5 29.5 29.3 -0.2 112 551 A F E -C 105 0B 16 -7,-1.3 -7,-2.2 -2,-0.4 2,-0.7 -0.957 20.1-151.0-126.2 134.1 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22.9 30.2 9.4 133 572 A A H < S+ 0 0 0 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.860 112.5 48.2 -66.7 -37.4 24.8 30.5 12.7 134 573 A I H ><>S+ 0 0 1 -4,-1.7 5,-2.0 1,-0.2 3,-0.7 0.872 109.5 53.3 -69.6 -38.2 28.1 29.8 10.9 135 574 A G H ><5S+ 0 0 35 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.805 109.2 47.5 -68.7 -31.6 27.3 32.3 8.2 136 575 A L T 3<5S+ 0 0 89 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.497 106.0 62.0 -87.1 -5.7 26.6 35.1 10.6 137 576 A G T < 5S- 0 0 18 -3,-0.7 135,-0.4 -4,-0.4 -1,-0.2 0.096 125.4 -88.7-107.3 20.9 29.9 34.4 12.6 138 577 A G T < 5S- 0 0 79 -3,-0.6 -3,-0.2 133,-0.1 -29,-0.1 0.447 73.3 -84.6 90.1 1.2 32.4 35.1 9.8 139 578 A G < - 0 0 15 -5,-2.0 133,-0.5 -6,-0.2 2,-0.3 -0.122 47.2 -78.3 94.6 172.9 32.4 31.6 8.3 140 579 A A B -d 107 0B 2 -34,-2.3 -32,-2.8 131,-0.1 -31,-0.4 -0.730 29.3-150.3-110.5 159.3 34.2 28.3 8.9 141 580 A S E -K 270 0C 36 129,-1.9 129,-1.2 -2,-0.3 2,-0.3 -0.998 15.5-179.0-130.8 136.8 37.7 27.1 8.1 142 581 A S E -K 269 0C 1 -2,-0.4 2,-0.3 127,-0.2 127,-0.2 -0.937 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74.6-142.3 -79.1 144.6 2.1 28.0 -2.6 472 486 B E S S+ 0 0 92 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 0.980 77.8 45.4 -74.9 -60.2 -0.8 25.6 -3.2 473 487 B T S > S- 0 0 78 1,-0.1 4,-0.9 2,-0.0 -2,-0.0 -0.530 71.5-138.0 -88.4 153.7 0.8 22.5 -4.7 474 488 B H H > S+ 0 0 75 -2,-0.2 4,-1.4 2,-0.2 5,-0.1 0.878 100.5 55.6 -77.2 -40.2 3.9 20.8 -3.4 475 489 B E H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.832 106.0 51.6 -63.6 -35.0 5.6 20.1 -6.8 476 490 B R H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.841 107.1 54.0 -71.0 -33.6 5.3 23.8 -7.8 477 491 B G H X S+ 0 0 8 -4,-0.9 4,-1.5 2,-0.2 -2,-0.2 0.803 108.5 49.6 -65.2 -32.0 7.0 24.7 -4.5 478 492 B V H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.850 109.4 51.8 -72.1 -37.0 9.8 22.3 -5.4 479 493 B S H X S+ 0 0 18 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.833 110.7 47.6 -68.8 -34.3 10.1 23.9 -8.9 480 494 B I H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.857 110.3 51.8 -74.6 -37.7 10.4 27.4 -7.4 481 495 B R H X S+ 0 0 39 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.846 109.5 51.0 -66.5 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-0.971 71.5-161.9-115.3 117.3 27.1 25.4 -12.5 492 506 B P G > S+ 0 0 92 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.913 88.9 44.9 -63.7 -47.1 23.6 26.4 -13.9 493 507 B S G > S+ 0 0 57 1,-0.2 3,-0.7 2,-0.1 4,-0.3 -0.010 78.7 109.8 -91.3 28.9 22.5 23.0 -15.3 494 508 B S G < S+ 0 0 2 -3,-1.0 3,-0.5 1,-0.2 -1,-0.2 0.876 77.8 50.5 -69.8 -37.5 23.6 21.0 -12.3 495 509 B L G X S+ 0 0 4 -3,-0.6 3,-1.2 -4,-0.2 -1,-0.2 0.454 83.6 99.2 -78.5 -1.5 20.0 20.2 -11.3 496 510 B Q T < S+ 0 0 117 -3,-0.7 -1,-0.2 1,-0.3 -2,-0.1 0.896 88.9 34.6 -54.6 -49.5 19.1 19.0 -14.8 497 511 B Y T 3 S+ 0 0 124 -3,-0.5 -1,-0.3 -4,-0.3 -120,-0.1 0.263 92.5 100.2 -96.9 10.5 19.5 15.3 -14.1 498 512 B L S < S- 0 0 1 -3,-1.2 22,-0.1 -121,-0.1 -123,-0.0 -0.875 73.9-138.9 -89.7 108.2 18.2 15.5 -10.5 499 513 B P + 0 0 38 0, 0.0 20,-2.2 0, 0.0 -2,-0.1 -0.318 40.7 152.2 -72.6 149.9 14.5 14.3 -11.0 500 514 B Y > + 0 0 27 18,-0.2 3,-0.7 20,-0.0 18,-0.1 0.450 40.1 99.2-143.7 -24.0 11.6 16.0 -9.2 501 515 B R T 3 S+ 0 0 152 1,-0.2 3,-0.1 3,-0.0 0, 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117.8 16.1-160.2 -55.0 7.4 14.8 7.9 512 526 B C T <5S+ 0 0 2 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.668 119.5 10.4-111.6 -26.9 10.4 13.3 6.2 513 527 B C B < -u 509 0G 1 -5,-1.7 -3,-0.7 -394,-0.1 -2,-0.4 -0.997 52.7-152.1-158.2 151.4 12.3 16.2 4.6 514 528 B E S S+ 0 0 27 -2,-0.3 -413,-0.3 1,-0.2 3,-0.2 -0.860 77.2 23.4-123.0 162.0 12.6 20.0 4.3 515 529 B N S S- 0 0 43 -2,-0.3 -414,-1.0 -415,-0.2 2,-0.2 0.868 84.0-165.3 52.4 45.1 13.9 22.4 1.6 516 530 B V E +B 100 0B 1 -416,-0.2 -416,-0.3 -3,-0.2 -1,-0.2 -0.393 29.0 168.4 -74.4 129.9 13.1 19.7 -1.0 517 531 B I E - 0 0 0 -418,-2.6 2,-0.3 1,-0.2 -417,-0.1 0.185 64.3 -61.6-121.6 11.6 14.5 20.1 -4.5 518 532 B G E -B 99 0B 0 -419,-0.6 -419,-2.1 -18,-0.1 2,-0.3 -0.991 62.1 -72.9 145.5-153.2 13.8 16.6 -5.8 519 533 B Y E -B 98 0B 22 -20,-2.2 -402,-0.0 -2,-0.3 -16,-0.0 -0.973 24.6-127.7-144.6 160.7 14.7 13.0 -5.1 520 534 B M E -B 97 0B 0 -423,-2.4 -423,-1.4 -2,-0.3 2,-0.4 -0.922 22.0-144.2-113.9 107.1 17.6 10.6 -5.4 521 535 B P E -B 96 0B 2 0, 0.0 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531 545 B C E + E 0 536B 26 -2,-0.7 34,-2.8 25,-0.3 2,-0.4 -0.708 33.1 162.2 -84.4 101.0 14.9 -19.7 3.2 532 546 B L E > -fE 565 535B 0 3,-1.7 3,-0.9 -2,-1.0 34,-0.2 -0.982 63.1 -15.6-130.2 121.1 14.4 -18.4 6.8 533 547 B D T 3 S- 0 0 41 32,-2.4 -1,-0.1 -2,-0.4 33,-0.1 0.911 126.8 -52.4 52.2 50.0 12.3 -20.1 9.5 534 548 B E T 3 S+ 0 0 206 31,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.672 121.2 102.8 63.4 21.2 10.5 -22.4 7.0 535 549 B K E < -E 532 0B 102 -3,-0.9 -3,-1.7 -5,-0.1 2,-0.4 -0.820 66.1-130.2-124.7 166.2 9.5 -19.3 4.9 536 550 B E E -E 531 0B 140 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.986 23.0-171.2-124.2 127.2 10.8 -17.8 1.6 537 551 B F E -E 530 0B 14 -7,-1.5 -7,-2.5 -2,-0.4 2,-0.8 -0.937 21.8-151.5-122.6 137.6 11.7 -14.1 1.3 538 552 B Q E - 0 0 20 -2,-0.4 -10,-0.2 268,-0.3 -2,-0.0 -0.888 30.2-152.0-103.8 97.7 12.6 -12.0 -1.7 539 553 B V E -E 527 0B 0 -12,-2.0 -12,-2.0 -2,-0.8 2,-0.2 -0.610 0.9-142.6 -84.1 119.2 14.8 -9.4 -0.0 540 554 B P E -E 526 0B 0 0, 0.0 2,-0.4 0, 0.0 -14,-0.2 -0.561 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806 820 B M H <5S+ 0 0 10 -4,-1.1 -741,-0.3 1,-0.2 -268,-0.3 0.908 110.3 42.2 -56.9 -45.2 7.5 -7.9 -0.6 807 821 B L H <5S- 0 0 7 -4,-1.1 -1,-0.2 -3,-0.1 -2,-0.2 0.515 113.5-119.9 -83.0 -9.4 8.7 -9.2 2.7 808 822 B G T <5S+ 0 0 46 -4,-0.5 -3,-0.2 -3,-0.3 -2,-0.1 0.750 86.7 104.4 77.7 27.3 5.2 -9.3 4.2 809 823 B V < + 0 0 1 -5,-2.3 -4,-0.2 -8,-0.1 2,-0.2 0.157 38.0 141.3-126.0 15.0 6.1 -6.9 7.0 810 824 B Q - 0 0 70 -6,-0.4 -19,-0.1 -9,-0.1 -20,-0.1 -0.419 63.5 -19.2 -68.6 131.1 4.5 -3.6 5.9 811 825 B G S S- 0 0 10 -21,-1.4 2,-0.3 -2,-0.2 -20,-0.1 -0.080 103.6 -28.4 74.3-170.6 2.9 -1.5 8.7 812 826 B A - 0 0 65 8,-0.1 2,-0.8 7,-0.1 -2,-0.0 -0.596 54.8-126.8 -82.6 141.4 1.8 -2.5 12.2 813 827 B C - 0 0 28 -2,-0.3 6,-0.2 3,-0.2 3,-0.1 -0.814 20.3-165.8 -87.7 109.1 0.6 -6.1 12.9 814 828 B K S S+ 0 0 197 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.871 84.6 46.0 -64.0 -40.7 -2.8 -5.7 14.6 815 829 B D S S+ 0 0 162 1,-0.3 -1,-0.2 2,-0.0 -2,-0.0 0.759 128.9 21.2 -76.6 -26.4 -3.1 -9.2 15.9 816 830 B N S > S- 0 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4,-2.0 1,-0.2 5,-0.2 0.894 108.0 52.1 -65.2 -41.8 28.9 -13.2 5.1 837 851 B L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.928 113.1 42.6 -59.9 -47.8 28.9 -16.7 3.4 838 852 B S H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.908 116.7 43.6 -72.5 -46.3 29.5 -15.4 -0.1 839 853 B L H X S+ 0 0 45 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.901 114.0 51.0 -66.6 -41.4 32.2 -12.7 0.6 840 854 B M H X S+ 0 0 0 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.834 110.2 50.6 -65.6 -32.6 34.1 -15.0 3.0 841 855 B A H X S+ 0 0 0 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.878 110.2 49.3 -69.4 -39.5 34.1 -17.7 0.3 842 856 B A H X>S+ 0 0 15 -4,-1.8 5,-2.0 2,-0.2 4,-1.0 0.865 113.7 45.7 -68.1 -37.6 35.4 -15.3 -2.3 843 857 B L H <5S+ 0 0 17 -4,-2.2 -599,-0.2 3,-0.2 -1,-0.2 0.859 113.2 50.7 -71.6 -36.4 38.2 -14.1 0.0 844 858 B A H <5S+ 0 0 25 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.891 117.8 36.8 -69.4 -40.9 39.0 -17.7 1.0 845 859 B A H <5S- 0 0 38 -4,-2.1 -1,-0.2 -138,-0.2 -2,-0.2 0.592 109.9-118.8 -88.4 -13.3 39.3 -19.0 -2.6 846 860 B G T <5 + 0 0 47 -4,-1.0 2,-1.0 -5,-0.2 -3,-0.2 0.808 62.0 146.0 76.6 32.7 40.9 -15.8 -4.0 847 861 B H < + 0 0 96 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.726 8.0 150.7-100.1 82.6 38.1 -14.9 -6.4 848 862 B L 0 0 66 -2,-1.0 -1,-0.1 1,-0.2 -5,-0.0 0.042 360.0 360.0-106.4 24.1 38.2 -11.1 -6.2 849 863 B V 0 0 179 -3,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.850 360.0 360.0 -95.1 360.0 37.0 -10.3 -9.7 850 !* 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 0.0 851 442 C P 0 0 145 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 53.4 80.4 -35.1 54.8 852 443 C R - 0 0 87 1,-0.1 5,-0.0 2,-0.1 0, 0.0 -0.024 360.0 -94.1 -53.9 153.7 79.2 -38.6 55.9 853 444 C P > - 0 0 77 0, 0.0 4,-1.8 0, 0.0 3,-0.4 -0.225 35.5-105.9 -69.9 163.1 78.4 -41.3 53.3 854 445 C N H > S+ 0 0 30 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.824 117.1 54.8 -59.4 -37.6 74.8 -41.7 52.0 855 446 C E H > S+ 0 0 131 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.882 109.9 46.7 -66.3 -39.3 74.2 -45.0 54.0 856 447 C E H > S+ 0 0 102 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.861 111.5 50.9 -69.9 -38.4 75.1 -43.3 57.3 857 448 C C H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.795 105.8 56.1 -70.2 -30.5 73.0 -40.2 56.6 858 449 C L H X S+ 0 0 66 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.797 101.9 56.4 -73.0 -30.2 69.9 -42.4 55.8 859 450 C Q H < S+ 0 0 157 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.814 109.0 47.4 -68.4 -32.2 70.1 -44.1 59.1 860 451 C I H >< S+ 0 0 21 -4,-0.9 7,-1.9 1,-0.2 3,-1.2 0.895 110.9 50.4 -73.0 -42.8 69.9 -40.7 60.8 861 452 C L H 3< S+ 0 0 32 -4,-1.9 3,-0.2 1,-0.2 7,-0.2 0.774 109.5 52.6 -66.6 -27.1 66.9 -39.6 58.6 862 453 C G T 3< S+ 0 0 68 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.217 86.7 86.4 -95.3 14.7 65.0 -42.8 59.4 863 454 C N S < S- 0 0 75 -3,-1.2 -1,-0.2 1,-0.1 -2,-0.1 0.932 72.5-148.8 -80.1 -48.7 65.3 -42.6 63.2 864 455 C A S S+ 0 0 88 -4,-0.4 -1,-0.1 -3,-0.2 -4,-0.0 -0.249 94.3 60.6 98.2 -39.3 62.3 -40.5 64.2 865 456 C E S S+ 0 0 162 -5,-0.1 -5,-0.0 2,-0.0 -3,-0.0 0.478 118.9 26.1 -90.8 -6.7 64.1 -39.1 67.2 866 457 C K S > S+ 0 0 96 -6,-0.3 3,-0.6 -5,-0.0 -5,-0.2 0.634 79.2 150.4-115.7 -80.6 66.8 -37.6 65.0 867 458 C G G > S- 0 0 11 -7,-1.9 3,-1.6 1,-0.2 -5,-0.1 -0.252 72.0 -30.2 75.0-163.8 65.7 -36.8 61.4 868 459 C A G > S+ 0 0 1 25,-0.6 3,-1.5 1,-0.3 -1,-0.2 0.672 123.7 76.4 -66.5 -19.3 67.1 -34.1 59.1 869 460 C K G < S+ 0 0 167 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.764 92.5 53.5 -60.5 -28.4 67.9 -31.8 62.0 870 461 C F G < S+ 0 0 108 -3,-1.6 2,-0.3 -10,-0.1 -1,-0.3 0.319 100.0 77.0 -92.9 6.2 71.0 -34.0 62.8 871 462 C L S < S- 0 0 8 -3,-1.5 2,-0.1 -5,-0.1 -14,-0.0 -0.815 78.8-121.7-109.7 156.6 72.4 -33.7 59.2 872 463 C S > - 0 0 52 -2,-0.3 4,-1.5 1,-0.1 3,-0.2 -0.389 30.1-105.6 -84.9 170.5 74.2 -30.7 57.6 873 464 C D H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.874 121.5 55.6 -61.4 -39.8 73.0 -28.9 54.5 874 465 C A H > S+ 0 0 63 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.806 106.5 50.0 -65.1 -32.1 75.8 -30.6 52.5 875 466 C E H > S+ 0 0 7 2,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.820 110.0 49.2 -77.8 -33.1 74.5 -34.0 53.5 876 467 C I H X S+ 0 0 5 -4,-1.5 4,-1.3 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C Q H <5S+ 0 0 38 -4,-2.1 3,-0.5 1,-0.2 103,-0.3 0.782 99.0 62.3 -73.3 -28.3 44.8 -2.5 60.4 1229 820 C M H <5S+ 0 0 7 -4,-1.3 -268,-0.4 1,-0.2 101,-0.3 0.872 109.9 41.1 -59.0 -39.2 46.2 1.0 59.9 1230 821 C L T <5S- 0 0 7 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.448 114.4-118.4 -90.0 -4.4 43.0 1.8 57.9 1231 822 C G T 5S+ 0 0 36 -3,-0.5 -3,-0.2 -4,-0.3 -2,-0.1 0.791 87.7 102.7 73.3 31.4 40.7 -0.0 60.4 1232 823 C V < + 0 0 1 -5,-2.3 -4,-0.2 -8,-0.1 2,-0.1 0.260 38.0 137.6-128.2 8.5 39.5 -2.6 57.8 1233 824 C Q - 0 0 62 -6,-0.5 -19,-0.1 -9,-0.1 -20,-0.1 -0.392 64.5 -15.7 -65.3 130.2 41.4 -5.8 58.5 1234 825 C G S S- 0 0 9 -21,-1.7 2,-0.3 -2,-0.1 -20,-0.1 -0.143 103.5 -25.4 80.4-170.0 39.4 -9.0 58.4 1235 826 C A - 0 0 71 8,-0.1 2,-0.8 7,-0.1 -2,-0.0 -0.611 51.9-132.4 -83.3 137.2 35.6 -9.6 58.4 1236 827 C C - 0 0 29 -2,-0.3 6,-0.2 3,-0.2 5,-0.1 -0.826 19.4-166.7 -85.8 108.9 33.2 -7.2 60.0 1237 828 C K S S+ 0 0 176 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.899 82.4 47.0 -64.8 -42.9 31.0 -9.4 62.1 1238 829 C D S S+ 0 0 133 1,-0.3 -1,-0.2 2,-0.0 -2,-0.0 0.829 129.4 19.2 -73.2 -34.9 28.2 -6.8 62.8 1239 830 C N S > S- 0 0 79 0, 0.0 3,-2.2 0, 0.0 -1,-0.3 -0.707 85.3-142.3-139.0 81.8 27.9 -5.6 59.2 1240 831 C P T 3 S+ 0 0 59 0, 0.0 -179,-0.2 0, 0.0 -3,-0.1 -0.216 86.2 21.4 -50.4 123.7 29.3 -8.2 56.7 1241 832 C G T 3> S+ 0 0 1 -5,-0.1 4,-2.2 -181,-0.1 5,-0.2 0.231 88.6 110.9 102.8 -9.1 31.0 -6.4 53.8 1242 833 C E H <> S+ 0 0 45 -3,-2.2 4,-1.7 -6,-0.2 5,-0.1 0.813 76.3 51.0 -70.9 -32.5 31.6 -3.1 55.6 1243 834 C N H > S+ 0 0 25 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.900 113.4 43.9 -71.1 -41.7 35.4 -3.5 55.8 1244 835 C A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.870 114.7 50.3 -69.4 -38.0 35.8 -4.3 52.1 1245 836 C R H X S+ 0 0 34 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.860 110.7 49.6 -66.0 -37.3 33.4 -1.5 51.2 1246 837 C Q H X S+ 0 0 10 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.875 108.9 51.8 -70.2 -38.8 35.4 0.9 53.4 1247 838 C L H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.877 107.6 53.0 -64.7 -37.8 38.7 -0.1 51.8 1248 839 C A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.878 108.5 50.3 -63.2 -38.9 37.1 0.5 48.3 1249 840 C R H X S+ 0 0 52 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.851 109.5 50.9 -66.3 -36.3 36.2 4.0 49.5 1250 841 C I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.856 109.0 51.5 -70.2 -36.7 39.7 4.7 50.7 1251 842 C V H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.948 112.1 45.3 -63.8 -49.8 41.2 3.5 47.4 1252 843 C C H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.871 114.1 49.7 -64.2 -38.5 38.9 5.9 45.4 1253 844 C G H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.879 112.2 46.9 -66.1 -39.8 39.6 8.8 47.8 1254 845 C T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.847 109.6 54.1 -73.0 -34.9 43.4 8.2 47.6 1255 846 C V H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.909 107.5 51.4 -60.5 -42.3 43.1 8.0 43.8 1256 847 C M H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.843 109.2 50.3 -65.6 -33.9 41.4 11.4 43.9 1257 848 C A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.919 111.3 48.1 -67.0 -45.4 44.2 12.8 46.0 1258 849 C G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.859 110.9 51.6 -62.6 -37.4 46.8 11.5 43.6 1259 850 C E H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.3 0.930 107.8 52.1 -65.0 -48.3 44.9 12.9 40.6 1260 851 C L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.912 114.2 42.7 -51.4 -48.6 44.7 16.4 42.2 1261 852 C S H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.909 116.7 43.1 -72.8 -46.7 48.5 16.5 42.8 1262 853 C L H X S+ 0 0 48 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.906 114.1 51.2 -67.8 -42.4 49.7 15.1 39.5 1263 854 C M H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.819 109.4 51.9 -64.3 -31.7 47.3 17.2 37.5 1264 855 C A H X S+ 0 0 0 -4,-1.3 4,-1.4 -5,-0.3 -1,-0.2 0.901 109.0 49.7 -69.0 -42.8 48.4 20.3 39.4 1265 856 C A H X>S+ 0 0 16 -4,-1.9 5,-2.0 1,-0.2 4,-1.1 0.893 112.6 47.4 -61.8 -41.0 52.1 19.5 38.6 1266 857 C L H <5S+ 0 0 15 -4,-2.2 243,-0.2 1,-0.2 -1,-0.2 0.814 109.6 53.9 -70.5 -31.7 51.2 19.0 34.9 1267 858 C A H <5S+ 0 0 25 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.802 116.8 35.8 -73.4 -30.1 49.2 22.2 34.8 1268 859 C A H <5S- 0 0 41 -4,-1.4 -2,-0.2 -3,-0.1 -1,-0.2 0.538 107.5-116.0-102.3 -11.1 52.0 24.4 36.1 1269 860 C G T <5 + 0 0 55 -4,-1.1 2,-0.5 -5,-0.2 -3,-0.2 0.909 63.4 144.9 72.3 44.8 55.0 22.7 34.5 1270 861 C H < + 0 0 108 -5,-2.0 -1,-0.1 -6,-0.1 -4,-0.1 -0.597 10.1 146.0-110.1 66.8 56.7 21.5 37.8 1271 862 C L 0 0 69 -2,-0.5 -1,-0.1 -5,-0.1 -5,-0.0 -0.035 360.0 360.0 -99.2 30.8 58.1 18.3 36.5 1272 863 C V 0 0 182 -3,-0.0 -2,-0.0 0, 0.0 -3,-0.0 -0.600 360.0 360.0 -89.6 360.0 61.2 18.2 38.6 1273 !* 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 1274 442 D P 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.5 63.1 12.3 79.8 1275 443 D R - 0 0 110 1,-0.1 5,-0.0 2,-0.0 0, 0.0 -0.372 360.0 -95.0 -78.0 159.5 64.5 15.8 80.0 1276 444 D P - 0 0 84 0, 0.0 4,-0.4 0, 0.0 3,-0.3 -0.055 36.4-102.9 -63.9 176.0 62.5 19.0 79.3 1277 445 D N S S+ 0 0 37 1,-0.2 4,-0.2 2,-0.1 -2,-0.0 0.383 107.4 77.1 -85.1 3.1 62.3 20.7 75.8 1278 446 D E S > S+ 0 0 137 1,-0.2 3,-0.9 2,-0.1 -1,-0.2 0.937 98.0 39.7 -77.8 -48.8 64.7 23.5 76.8 1279 447 D E G > S+ 0 0 110 -3,-0.3 3,-0.9 1,-0.2 -1,-0.2 0.645 99.8 76.8 -76.2 -16.8 68.0 21.5 76.6 1280 448 D C G 3 S+ 0 0 4 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.580 71.6 82.8 -74.4 -11.0 66.9 19.6 73.4 1281 449 D L G < 0 0 115 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.1 0.856 360.0 360.0 -58.2 -37.4 67.6 22.6 71.2 1282 450 D Q < 0 0 160 -3,-0.9 -2,-0.2 -4,-0.2 -1,-0.1 0.974 360.0 360.0 -77.5 360.0 71.3 21.7 71.1 1283 ! 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 1284 458 D G > 0 0 70 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -78.5 73.7 17.0 67.2 1285 459 D A T 3 + 0 0 17 25,-0.4 3,-0.4 1,-0.2 26,-0.1 0.641 360.0 75.7 -78.6 -16.2 70.5 14.8 66.9 1286 460 D K T 3 S+ 0 0 183 1,-0.2 -1,-0.2 25,-0.0 25,-0.0 0.755 89.8 56.3 -69.7 -25.8 72.3 11.6 68.0 1287 461 D F S < S+ 0 0 162 -3,-0.6 2,-0.2 2,-0.1 -1,-0.2 0.780 91.5 84.1 -76.9 -28.5 72.5 12.7 71.7 1288 462 D L S S- 0 0 13 -3,-0.4 -8,-0.0 -4,-0.4 5,-0.0 -0.558 80.0-126.1 -78.6 140.2 68.7 13.2 72.0 1289 463 D S > - 0 0 59 -2,-0.2 4,-1.6 1,-0.1 5,-0.2 -0.133 25.5-100.7 -78.4 176.6 66.6 10.1 72.7 1290 464 D D H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.911 123.8 47.5 -65.5 -44.7 63.5 8.8 70.7 1291 465 D A H > S+ 0 0 57 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.709 108.4 58.0 -70.0 -22.0 61.0 10.3 73.2 1292 466 D E H > S+ 0 0 12 2,-0.2 4,-0.8 1,-0.1 -1,-0.2 0.897 108.0 43.9 -71.5 -43.7 62.9 13.6 73.1 1293 467 D I H X S+ 0 0 6 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.823 111.8 53.7 -72.1 -33.3 62.6 14.0 69.4 1294 468 D I H X S+ 0 0 25 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.812 105.2 53.9 -71.7 -31.8 58.9 13.0 69.4 1295 469 D Q H X S+ 0 0 109 -4,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.734 103.7 57.2 -73.1 -23.9 58.1 15.6 72.1 1296 470 D L H X>S+ 0 0 16 -4,-0.8 5,-1.3 2,-0.2 6,-0.7 0.783 106.0 50.5 -72.5 -30.1 59.7 18.2 69.8 1297 471 D V H <5S+ 0 0 38 -4,-0.9 3,-0.3 2,-0.2 -2,-0.2 0.902 113.8 42.4 -72.9 -43.9 57.2 17.3 67.0 1298 472 D N H <5S+ 0 0 114 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.552 117.1 48.4 -81.6 -9.8 54.2 17.6 69.3 1299 473 D A H <5S- 0 0 53 -4,-0.6 -1,-0.2 -5,-0.1 -2,-0.2 0.481 103.0-130.2-103.5 -9.2 55.5 20.8 70.9 1300 474 D K T <5 + 0 0 189 -4,-0.6 -3,-0.2 -3,-0.3 -4,-0.1 0.787 63.4 136.2 61.8 31.9 56.3 22.5 67.5 1301 475 D H S - 0 0 47 0, 0.0 3,-0.7 0, 0.0 -2,-0.0 -0.156 24.3-114.4 -58.6 160.6 58.9 22.0 62.2 1304 478 D A G > S+ 0 0 71 1,-0.2 3,-1.1 2,-0.1 4,-0.1 0.837 113.6 57.7 -68.0 -35.3 58.2 18.6 60.7 1305 479 D Y G 3 S+ 0 0 166 1,-0.3 3,-0.5 2,-0.1 -1,-0.2 0.662 99.6 60.3 -71.2 -16.4 59.9 19.4 57.4 1306 480 D K G < S+ 0 0 116 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.1 -0.023 88.2 74.5 -99.5 28.8 63.2 20.2 59.2 1307 481 D L S <> S+ 0 0 18 -3,-1.1 4,-0.9 3,-0.1 -1,-0.2 0.408 75.8 76.3-115.0 -2.4 63.6 16.7 60.6 1308 482 D E T 4 S+ 0 0 101 -3,-0.5 -2,-0.1 1,-0.2 -3,-0.1 0.942 103.7 31.4 -76.9 -49.7 64.7 14.9 57.5 1309 483 D T T 4 S+ 0 0 132 1,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.652 110.9 67.2 -84.4 -18.1 68.3 16.0 57.2 1310 484 D L T 4 S+ 0 0 95 -4,-0.1 2,-0.6 -26,-0.1 -25,-0.4 0.917 89.0 67.8 -70.9 -45.3 68.8 16.4 61.0 1311 485 D I < - 0 0 21 -4,-0.9 6,-0.1 1,-0.2 -1,-0.0 -0.690 67.8-169.0 -78.6 120.6 68.6 12.6 61.7 1312 486 D E + 0 0 176 -2,-0.6 -1,-0.2 4,-0.0 2,-0.1 0.969 62.0 71.4 -77.4 -56.5 71.6 11.0 60.2 1313 487 D T > - 0 0 76 1,-0.1 4,-1.1 2,-0.0 -2,-0.0 -0.406 68.2-149.9 -70.7 134.9 70.8 7.2 60.4 1314 488 D H H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.905 92.0 53.0 -73.4 -44.7 68.1 6.0 58.0 1315 489 D E H > S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.808 109.4 50.1 -63.4 -32.4 66.7 3.1 60.1 1316 490 D R H > S+ 0 0 59 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.801 105.9 56.2 -75.7 -31.5 66.2 5.4 63.1 1317 491 D G H X S+ 0 0 21 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.815 108.7 47.5 -65.8 -32.9 64.4 8.0 60.9 1318 492 D V H X S+ 0 0 1 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.855 109.6 54.1 -72.9 -37.6 61.9 5.3 59.9 1319 493 D S H X S+ 0 0 14 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.889 109.7 46.3 -63.7 -41.3 61.5 4.3 63.6 1320 494 D I H X S+ 0 0 6 -4,-2.0 4,-2.2 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1639 813 D P H > S+ 0 0 13 0, 0.0 4,-1.2 0, 0.0 3,-0.3 0.914 113.9 48.7 -60.7 -41.4 66.9 -7.9 46.4 1640 814 D Q H > S+ 0 0 0 -6,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.868 109.0 53.7 -63.8 -37.5 65.3 -6.8 43.1 1641 815 D Q H X S+ 0 0 34 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.741 100.4 61.8 -69.5 -25.4 68.7 -7.1 41.4 1642 816 D A H X S+ 0 0 1 -4,-1.2 4,-1.4 -3,-0.3 -1,-0.2 0.904 104.5 46.8 -66.7 -42.7 69.1 -10.6 42.8 1643 817 D C H X S+ 0 0 0 -4,-1.2 4,-1.0 -54,-0.3 -2,-0.2 0.853 112.0 50.8 -67.4 -36.1 66.0 -11.8 40.8 1644 818 D L H X>S+ 0 0 0 -4,-1.4 5,-2.1 1,-0.2 4,-0.6 0.854 107.1 55.1 -66.5 -35.0 67.3 -10.0 37.7 1645 819 D Q H <5S+ 0 0 52 -4,-1.8 3,-0.3 1,-0.2 -731,-0.2 0.808 99.0 61.1 -69.7 -31.1 70.7 -11.8 38.2 1646 820 D M H <5S+ 0 0 8 -4,-1.4 -268,-0.4 1,-0.2 -733,-0.3 0.892 109.9 41.9 -56.8 -42.4 68.9 -15.2 38.2 1647 821 D L H <5S- 0 0 8 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.547 112.6-120.5 -84.8 -10.9 67.7 -14.4 34.7 1648 822 D G T <5S+ 0 0 42 -4,-0.6 -3,-0.2 -3,-0.3 -2,-0.1 0.734 87.1 102.4 78.2 25.9 71.1 -13.0 33.6 1649 823 D V < + 0 0 1 -5,-2.1 -4,-0.2 14,-0.1 2,-0.2 0.187 39.9 140.9-125.2 14.3 69.7 -9.5 32.7 1650 824 D Q - 0 0 70 -6,-0.5 -19,-0.1 -9,-0.1 -20,-0.1 -0.401 62.9 -17.6 -67.9 130.7 70.7 -7.4 35.7 1651 825 D G S S- 0 0 8 -21,-1.5 2,-0.2 -2,-0.2 -20,-0.1 -0.120 105.3 -22.8 75.3-169.6 71.7 -3.8 34.8 1652 826 D A - 0 0 51 8,-0.1 2,-0.9 1,-0.1 3,-0.1 -0.529 54.8-126.7 -78.7 138.1 72.9 -2.3 31.6 1653 827 D C - 0 0 31 -2,-0.2 6,-0.2 1,-0.2 5,-0.1 -0.806 24.6-163.6 -78.8 107.9 74.3 -4.4 28.8 1654 828 D K S S+ 0 0 190 -2,-0.9 -1,-0.2 1,-0.2 -3,-0.0 0.944 82.7 43.8 -60.9 -52.7 77.6 -2.6 28.1 1655 829 D D S S+ 0 0 166 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.780 129.6 21.7 -67.3 -31.2 78.4 -4.0 24.7 1656 830 D N S > S- 0 0 78 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.740 83.4-137.1-143.6 89.7 74.9 -3.7 23.3 1657 831 D P T 3 S+ 0 0 68 0, 0.0 -179,-0.2 0, 0.0 -3,-0.1 -0.187 87.3 19.0 -49.0 129.0 72.5 -1.2 24.9 1658 832 D G T 3> S+ 0 0 2 -181,-0.1 4,-2.0 -5,-0.1 5,-0.2 0.220 88.0 109.3 97.2 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