==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN/DNA 17-APR-03 1P3O . COMPND 2 MOLECULE: PALINDROMIC 146BP HUMAN ALPHA-SATELLITE DNA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR U.M.MUTHURAJAN,Y.BAO,L.J.FORSBERG,R.S.EDAYATHUMANGALAM, . 753 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 560 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 2 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 . 25 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 408 54.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.4 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 1 1 2 0 0 3 6 6 1 1 0 1 0 0 0 2 0 0 0 0 0 0 3 1 4 0 0 RESIDUES PER ALPHA HELIX . 0 8 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 10 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 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 1 438 A P 0 0 186 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 79.7 112.5 26.7 -80.3 2 439 A H + 0 0 137 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.529 360.0 179.8 -87.8 153.8 109.9 24.9 -78.1 3 440 A R - 0 0 220 -2,-0.2 2,-0.3 0, 0.0 0, 0.0 -0.918 21.8-137.0-159.7 128.3 106.4 26.1 -77.4 4 441 A Y - 0 0 126 -2,-0.3 3,-0.1 1,-0.1 5,-0.1 -0.623 34.8-110.8 -84.7 139.8 103.4 24.9 -75.3 5 442 A R >> - 0 0 198 -2,-0.3 3,-2.0 1,-0.1 4,-0.6 -0.280 45.3 -76.9 -71.4 153.6 100.0 25.2 -76.9 6 443 A P T 34 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.245 119.7 16.3 -49.5 126.2 97.3 27.6 -75.7 7 444 A G T 3> S+ 0 0 21 -3,-0.1 4,-2.8 116,-0.1 5,-0.3 -0.071 97.4 97.7 101.5 -33.7 95.8 26.1 -72.5 8 445 A T H <> S+ 0 0 59 -3,-2.0 4,-1.3 1,-0.2 5,-0.0 0.893 92.2 37.7 -54.8 -46.3 98.4 23.5 -71.7 9 446 A V H X S+ 0 0 53 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.872 112.9 58.0 -76.2 -37.0 100.1 25.7 -69.2 10 447 A A H >> S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 3,-1.4 0.986 107.8 45.5 -54.8 -61.0 96.9 27.1 -67.9 11 448 A L H 3X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.3 -1,-0.2 0.884 110.8 55.8 -47.7 -41.5 95.6 23.7 -67.0 12 449 A R H 3X S+ 0 0 114 -4,-1.3 4,-1.9 -5,-0.3 -1,-0.3 0.848 107.9 47.9 -61.3 -34.8 99.0 23.1 -65.5 13 450 A E H X S+ 0 0 150 -4,-1.9 3,-1.2 1,-0.2 4,-1.1 0.971 115.4 39.9 -63.0 -56.3 99.4 23.6 -59.4 17 454 A Y H 3< S+ 0 0 25 -4,-3.2 638,-0.2 1,-0.3 -1,-0.2 0.690 107.6 59.8 -71.6 -19.0 97.3 26.1 -57.5 18 455 A Q T 3< S+ 0 0 9 -4,-1.9 637,-0.3 -5,-0.3 -1,-0.3 0.602 107.5 52.5 -82.4 -5.1 94.5 23.7 -56.5 19 456 A K T <4 S+ 0 0 154 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.824 105.9 57.6 -93.4 -35.7 97.2 21.7 -54.8 20 457 A S < - 0 0 31 -4,-1.1 635,-0.4 1,-0.1 633,-0.0 -0.338 58.5-155.6 -94.1 174.8 98.7 24.5 -52.7 21 458 A T + 0 0 30 633,-0.1 633,-0.2 -2,-0.1 631,-0.2 0.343 47.3 125.3-131.5 3.3 97.4 26.9 -50.1 22 459 A E S S- 0 0 77 1,-0.1 2,-0.1 631,-0.1 -2,-0.0 -0.221 71.9 -96.5 -63.0 158.2 99.7 29.9 -50.1 23 460 A L - 0 0 26 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.460 29.7-153.0 -71.2 151.0 98.1 33.3 -50.6 24 461 A L + 0 0 3 -2,-0.1 2,-0.4 -3,-0.1 91,-0.2 0.501 69.9 78.1-109.6 -4.1 98.3 34.3 -54.2 25 462 A I S S- 0 0 8 90,-0.1 2,-0.4 88,-0.1 83,-0.1 -0.825 93.0-103.1-101.6 145.1 98.2 38.1 -53.8 26 463 A R > - 0 0 105 -2,-0.4 4,-1.7 81,-0.2 5,-0.2 -0.532 29.4-133.4 -70.8 124.9 101.4 39.8 -52.7 27 464 A K H > S+ 0 0 126 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.862 95.6 49.4 -44.0 -58.8 101.2 40.8 -49.0 28 465 A L H > S+ 0 0 101 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.954 110.1 48.4 -51.1 -63.1 102.4 44.4 -49.1 29 466 A P H > S+ 0 0 7 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.872 113.5 50.2 -45.2 -43.4 100.2 45.7 -51.9 30 467 A F H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.953 108.3 51.8 -61.5 -47.8 97.3 44.0 -50.2 31 468 A Q H X S+ 0 0 60 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 108.6 51.0 -57.3 -42.0 98.2 45.7 -47.0 32 469 A R H X S+ 0 0 97 -4,-2.6 4,-3.1 1,-0.2 -1,-0.2 0.935 110.2 49.4 -60.7 -46.4 98.3 49.1 -48.6 33 470 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 71,-0.2 5,-0.2 0.925 110.6 50.2 -60.1 -46.2 94.9 48.5 -50.2 34 471 A V H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.953 113.5 44.7 -56.5 -53.1 93.4 47.5 -46.8 35 472 A R H X S+ 0 0 92 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.924 112.3 52.1 -58.5 -46.8 94.9 50.6 -45.0 36 473 A E H X S+ 0 0 76 -4,-3.1 4,-0.6 1,-0.2 -1,-0.2 0.916 111.6 46.7 -57.9 -43.4 93.8 52.9 -47.8 37 474 A I H >< S+ 0 0 4 -4,-2.6 3,-1.0 -5,-0.2 -1,-0.2 0.913 113.2 49.8 -65.9 -39.1 90.3 51.6 -47.7 38 475 A A H >X S+ 0 0 1 -4,-2.5 3,-3.5 1,-0.2 4,-1.8 0.860 95.2 69.3 -66.8 -36.2 90.2 51.9 -43.9 39 476 A Q H 3< S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 93.0 63.2 -54.3 -23.7 91.5 55.5 -43.8 40 477 A D T << S+ 0 0 127 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.616 107.6 40.2 -77.4 -10.6 88.1 56.3 -45.2 41 478 A F T <4 S- 0 0 67 -3,-3.5 2,-0.3 1,-0.4 -2,-0.2 0.759 133.0 -4.5-107.7 -33.7 86.4 55.0 -42.1 42 479 A K S < S- 0 0 55 -4,-1.8 -1,-0.4 116,-0.0 3,-0.3 -0.897 74.3-125.3-160.8 131.1 88.5 56.2 -39.3 43 480 A T S S+ 0 0 98 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.376 81.8 23.6 -82.6 160.9 91.9 58.0 -39.5 44 481 A D S S+ 0 0 111 1,-0.2 2,-0.2 -2,-0.1 -1,-0.2 0.932 82.7 166.3 54.5 56.1 95.2 57.1 -37.9 45 482 A L - 0 0 24 -3,-0.3 2,-0.4 -10,-0.1 114,-0.2 -0.592 26.6-150.8 -99.1 162.4 94.5 53.4 -37.6 46 483 A R E -a 159 0A 176 112,-1.8 114,-2.8 -2,-0.2 2,-0.5 -0.960 7.0-149.2-129.1 146.9 96.7 50.6 -36.8 47 484 A F E -a 160 0A 21 -2,-0.4 114,-0.2 112,-0.2 112,-0.0 -0.973 15.0-130.0-121.7 125.4 96.3 47.0 -37.9 48 485 A Q > - 0 0 86 112,-2.3 4,-1.7 -2,-0.5 5,-0.2 -0.349 29.3-120.5 -60.5 155.7 97.5 43.9 -36.0 49 486 A S H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.965 114.5 55.2 -65.9 -43.7 99.5 41.8 -38.4 50 487 A S H > S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.792 103.4 55.2 -58.2 -31.8 97.0 39.0 -37.8 51 488 A A H > S+ 0 0 0 109,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.968 109.1 45.3 -66.8 -52.7 94.1 41.2 -38.7 52 489 A V H X S+ 0 0 5 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.911 114.9 50.1 -57.3 -39.0 95.5 42.1 -42.1 53 490 A M H X S+ 0 0 46 -4,-2.5 4,-2.5 2,-0.2 3,-0.4 0.975 108.0 51.5 -62.6 -51.9 96.3 38.4 -42.6 54 491 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.3 -2,-0.2 0.915 108.9 52.4 -49.7 -48.2 92.8 37.3 -41.6 55 492 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -1,-0.3 0.879 109.3 48.8 -56.6 -41.2 91.4 39.8 -44.2 56 493 A Q H X S+ 0 0 1 -4,-1.9 4,-2.9 -3,-0.4 5,-0.4 0.948 109.2 51.7 -66.8 -45.9 93.6 38.4 -47.0 57 494 A E H X S+ 0 0 19 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.922 113.8 45.7 -54.4 -43.8 92.7 34.8 -46.2 58 495 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.928 112.7 49.1 -65.8 -47.7 89.0 35.9 -46.4 59 496 A S H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.2 0.918 113.5 44.2 -60.9 -47.2 89.4 37.9 -49.6 60 497 A E H X S+ 0 0 7 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.957 113.3 52.1 -64.3 -46.0 91.2 35.2 -51.5 61 498 A A H X S+ 0 0 29 -4,-2.1 4,-1.6 -5,-0.4 -1,-0.2 0.890 112.9 46.7 -53.5 -41.1 88.8 32.6 -50.2 62 499 A Y H X S+ 0 0 7 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.960 114.4 44.6 -68.8 -51.4 86.0 34.8 -51.4 63 500 A L H X S+ 0 0 2 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.903 110.5 53.8 -62.4 -41.9 87.4 35.5 -54.8 64 501 A V H X S+ 0 0 6 -4,-3.4 4,-1.9 1,-0.2 -1,-0.2 0.944 111.7 46.0 -57.3 -46.8 88.4 31.9 -55.5 65 502 A A H X S+ 0 0 27 -4,-1.6 4,-2.2 -5,-0.3 5,-0.2 0.906 111.1 52.3 -63.4 -41.5 84.9 30.8 -54.8 66 503 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.900 106.3 53.8 -63.3 -37.1 83.5 33.6 -57.0 67 504 A F H X S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.908 106.2 54.8 -64.9 -34.7 85.8 32.5 -59.8 68 505 A E H X S+ 0 0 80 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.975 111.5 41.1 -61.0 -55.2 84.3 29.0 -59.4 69 506 A D H X S+ 0 0 15 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.900 114.4 55.0 -59.8 -36.0 80.7 30.1 -59.8 70 507 A T H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.914 105.9 50.4 -61.3 -42.9 81.9 32.4 -62.5 71 508 A N H X S+ 0 0 6 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.887 108.5 53.5 -64.6 -37.2 83.5 29.5 -64.4 72 509 A L H X S+ 0 0 19 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.923 109.0 48.5 -63.2 -42.0 80.2 27.6 -64.1 73 510 A C H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.884 109.5 52.1 -66.0 -37.2 78.3 30.6 -65.6 74 511 A A H ><>S+ 0 0 0 -4,-2.4 5,-1.9 1,-0.2 3,-0.6 0.945 112.0 47.0 -62.9 -45.3 80.8 30.8 -68.4 75 512 A I H ><5S+ 0 0 41 -4,-2.5 3,-3.5 1,-0.2 -2,-0.2 0.916 101.5 63.2 -63.0 -40.3 80.3 27.1 -69.1 76 513 A H H 3<5S+ 0 0 18 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 104.1 51.3 -50.2 -35.9 76.5 27.5 -68.9 77 514 A A T <<5S- 0 0 22 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.124 123.5-108.7 -88.7 15.6 77.0 29.7 -72.0 78 515 A K T < 5S+ 0 0 188 -3,-3.5 2,-0.2 1,-0.2 -3,-0.2 0.841 81.4 119.6 60.4 35.6 79.0 27.1 -73.7 79 516 A R < - 0 0 52 -5,-1.9 -1,-0.2 -8,-0.1 3,-0.1 -0.696 55.8-154.6-121.1 174.4 82.2 29.0 -73.3 80 517 A V S S+ 0 0 52 -2,-0.2 44,-1.0 -3,-0.1 2,-0.6 0.143 74.3 86.9-132.5 11.3 85.5 28.3 -71.6 81 518 A T E S-b 124 0B 15 -7,-0.2 44,-0.2 42,-0.1 2,-0.2 -0.946 73.9-137.0-118.6 113.6 86.5 31.9 -71.0 82 519 A I E -b 125 0B 0 42,-1.7 44,-1.8 -2,-0.6 47,-0.2 -0.484 30.5-179.6 -69.3 134.9 85.2 33.6 -67.9 83 520 A M >> - 0 0 58 -13,-0.2 4,-1.5 -2,-0.2 3,-0.6 -0.793 42.5 -98.0-126.9 173.1 84.0 37.2 -68.7 84 521 A P H 3> S+ 0 0 16 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.902 120.6 62.1 -63.0 -36.2 82.5 40.0 -66.7 85 522 A K H 3> S+ 0 0 93 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.912 104.9 52.8 -54.4 -36.3 79.0 39.1 -67.6 86 523 A D H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.909 109.2 44.0 -65.2 -47.2 79.8 35.8 -65.8 87 524 A I H X S+ 0 0 1 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.941 115.6 53.1 -61.9 -42.0 81.0 37.4 -62.5 88 525 A Q H X S+ 0 0 64 -4,-3.3 4,-2.0 -5,-0.2 -2,-0.2 0.946 109.1 45.5 -57.7 -51.7 78.0 39.7 -62.8 89 526 A L H X S+ 0 0 16 -4,-2.9 4,-2.7 -5,-0.2 3,-0.4 0.972 113.9 50.1 -57.2 -55.2 75.5 36.9 -63.2 90 527 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 6,-0.2 0.929 110.3 49.0 -48.8 -53.4 77.1 35.0 -60.3 91 528 A R H X>S+ 0 0 29 -4,-2.9 5,-1.8 1,-0.2 6,-1.1 0.845 111.0 51.3 -61.3 -30.2 77.0 37.9 -57.9 92 529 A R H ><5S+ 0 0 64 -4,-2.0 3,-1.4 -3,-0.4 6,-0.3 0.955 110.7 46.1 -72.4 -44.4 73.4 38.6 -58.8 93 530 A I H 3<5S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.857 108.2 58.4 -64.2 -30.5 72.3 35.1 -58.1 94 531 A R H 3<5S- 0 0 47 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.653 116.7-115.9 -70.6 -14.8 74.3 35.1 -54.9 95 532 A G T <<5S+ 0 0 34 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.476 87.5 116.7 91.7 3.4 72.3 38.1 -53.8 96 533 A E S > S+ 0 0 33 2,-0.2 3,-1.7 -2,-0.2 4,-0.5 0.934 115.0 46.3 -75.3 -49.6 96.7 50.8 -54.6 105 26 B I G >4 S+ 0 0 27 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.847 110.7 57.9 -60.4 -31.6 93.9 48.7 -56.1 106 27 B Q G 34 S+ 0 0 66 1,-0.3 -1,-0.3 3,-0.0 -2,-0.2 0.632 89.3 74.3 -71.5 -12.4 96.1 48.5 -59.1 107 28 B G G <4 S+ 0 0 2 -3,-1.7 2,-1.4 -78,-0.2 -1,-0.3 0.805 76.6 81.3 -67.9 -29.3 98.6 47.0 -56.7 108 29 B I S << S- 0 0 1 -3,-1.4 -1,-0.1 -4,-0.5 26,-0.1 -0.697 88.9-151.6 -78.7 96.8 96.4 43.9 -56.9 109 30 B T > - 0 0 17 -2,-1.4 4,-3.2 1,-0.1 3,-0.3 -0.297 24.6-115.1 -81.8 158.9 98.0 42.7 -60.1 110 31 B K H > S+ 0 0 100 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.905 115.2 54.6 -52.4 -50.9 96.9 40.7 -63.1 111 32 B P H > S+ 0 0 71 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.912 113.6 43.9 -53.6 -40.3 99.4 37.9 -62.5 112 33 B A H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.952 113.9 48.1 -68.9 -49.4 97.9 37.6 -59.0 113 34 B I H X S+ 0 0 1 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.868 111.0 53.2 -59.9 -35.3 94.3 37.9 -60.1 114 35 B R H X S+ 0 0 75 -4,-3.5 4,-2.2 -5,-0.2 -1,-0.2 0.944 106.5 51.7 -64.9 -46.2 95.1 35.3 -62.7 115 36 B R H X S+ 0 0 54 -4,-2.2 4,-2.3 -5,-0.3 5,-0.3 0.940 109.5 50.3 -55.5 -48.0 96.5 33.0 -60.0 116 37 B L H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.3 0.971 109.5 50.4 -52.6 -57.0 93.3 33.4 -58.0 117 38 B A H <>S+ 0 0 0 -4,-2.5 5,-2.7 1,-0.2 -1,-0.2 0.849 108.7 54.8 -50.1 -36.4 91.2 32.6 -61.1 118 39 B R H ><5S+ 0 0 6 -4,-2.2 3,-2.6 1,-0.2 -1,-0.2 0.937 104.2 49.7 -66.9 -46.8 93.3 29.5 -61.5 119 40 B R H 3<5S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.820 108.5 58.4 -61.1 -26.2 92.7 28.1 -58.1 120 41 B G T 3<5S- 0 0 4 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.433 123.6-109.7 -81.4 0.3 89.1 28.7 -59.0 121 42 B G T < 5 + 0 0 4 -3,-2.6 2,-0.5 1,-0.2 539,-0.2 0.648 61.8 155.9 82.7 16.0 89.5 26.5 -62.0 122 43 B A < - 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0 0 35 -5,-0.6 2,-0.3 1,-0.4 130,-0.1 0.558 69.2 -8.5-113.7 -15.7 70.8 40.0 -23.9 209 840 C A S S- 0 0 15 -6,-0.2 -1,-0.4 -5,-0.2 136,-0.1 -0.966 72.2 -99.5-169.3 165.1 73.0 41.0 -21.0 210 841 C E S S+ 0 0 134 134,-0.4 2,-0.3 -2,-0.3 135,-0.2 0.971 108.0 17.6 -60.5 -45.8 73.1 40.9 -17.3 211 842 C R E -d 345 0D 155 133,-3.3 135,-2.8 -3,-0.1 2,-0.5 -0.907 62.5-148.8-133.2 156.0 71.9 44.5 -17.2 212 843 C V E -d 346 0D 14 -2,-0.3 135,-0.2 133,-0.2 133,-0.1 -0.970 22.9-135.8-122.6 115.6 70.2 47.1 -19.4 213 844 C G - 0 0 21 133,-2.2 3,-0.4 -2,-0.5 133,-0.0 -0.176 24.0-112.6 -64.6 162.1 71.0 50.7 -19.0 214 845 C A S > S+ 0 0 52 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.814 113.0 56.8 -66.4 -32.8 68.2 53.3 -18.9 215 846 C G H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.802 90.8 74.2 -71.2 -28.6 69.3 54.9 -22.2 216 847 C A H > S+ 0 0 0 -3,-0.4 4,-2.8 130,-0.3 5,-0.2 0.924 98.5 41.5 -52.7 -54.4 69.1 51.7 -24.2 217 848 C P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.869 112.9 54.4 -67.5 -30.4 65.3 51.4 -24.5 218 849 C V H X S+ 0 0 0 -4,-0.8 4,-1.5 1,-0.2 -2,-0.2 0.954 113.9 42.6 -63.5 -45.7 64.9 55.1 -25.1 219 850 C Y H X S+ 0 0 5 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.883 115.5 47.6 -66.8 -42.0 67.3 54.8 -28.0 220 851 C L H X S+ 0 0 0 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.859 108.8 53.9 -71.7 -34.7 65.9 51.6 -29.4 221 852 C A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.879 109.0 50.6 -67.3 -32.1 62.4 52.8 -29.2 222 853 C A H X S+ 0 0 2 -4,-1.5 4,-3.7 -5,-0.2 5,-0.2 0.944 109.7 48.7 -68.9 -44.8 63.4 55.8 -31.3 223 854 C V H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.924 113.4 47.6 -61.7 -41.0 65.1 53.7 -33.9 224 855 C L H X S+ 0 0 3 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.929 115.0 46.1 -65.7 -42.1 62.0 51.5 -34.1 225 856 C E H X S+ 0 0 22 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.935 111.5 51.4 -64.6 -46.7 59.8 54.5 -34.3 226 857 C Y H X S+ 0 0 22 -4,-3.7 4,-1.5 1,-0.2 -1,-0.2 0.870 113.0 46.9 -59.1 -38.7 62.0 56.2 -36.9 227 858 C L H X S+ 0 0 1 -4,-2.2 4,-2.4 -5,-0.2 5,-0.3 0.921 109.0 50.0 -73.5 -44.5 62.0 53.1 -39.0 228 859 C T H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.844 111.0 52.7 -63.9 -28.0 58.2 52.4 -39.0 229 860 C A H X S+ 0 0 25 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.939 108.2 50.8 -68.4 -45.4 57.6 56.0 -40.0 230 861 C E H X S+ 0 0 62 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.913 113.5 42.6 -58.1 -51.1 59.9 55.7 -42.9 231 862 C I H X S+ 0 0 5 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.922 114.4 51.4 -68.4 -38.7 58.3 52.6 -44.2 232 863 C L H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.3 5,-0.3 0.858 104.7 57.2 -65.8 -32.8 54.8 53.9 -43.6 233 864 C E H X S+ 0 0 71 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.983 113.5 40.0 -58.6 -52.8 55.7 57.1 -45.5 234 865 C L H X S+ 0 0 45 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.800 115.0 53.8 -64.6 -32.5 56.6 55.0 -48.5 235 866 C A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.978 106.5 49.5 -67.8 -56.3 53.6 52.7 -47.9 236 867 C G H X S+ 0 0 1 -4,-3.1 4,-3.2 1,-0.2 -2,-0.2 0.870 109.3 54.6 -50.5 -38.7 51.0 55.4 -47.8 237 868 C N H X S+ 0 0 36 -4,-1.6 4,-3.8 -5,-0.3 -1,-0.2 0.956 107.5 47.7 -61.9 -48.8 52.5 56.8 -51.1 238 869 C A H X S+ 0 0 10 -4,-1.8 4,-1.4 2,-0.2 6,-0.2 0.915 111.7 53.0 -56.9 -41.8 52.1 53.5 -52.9 239 870 C A H ><>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-1.4 0.983 110.9 44.9 -57.9 -53.9 48.6 53.4 -51.5 240 871 C R H ><5S+ 0 0 142 -4,-3.2 3,-2.0 1,-0.3 -2,-0.2 0.906 108.3 58.5 -56.0 -42.9 47.9 56.9 -52.9 241 872 C D H 3<5S+ 0 0 113 -4,-3.8 -1,-0.3 1,-0.3 -2,-0.2 0.765 108.6 44.9 -59.2 -26.6 49.5 55.9 -56.2 242 873 C N T <<5S- 0 0 69 -4,-1.4 -1,-0.3 -3,-1.4 -2,-0.2 0.008 118.2-109.8-106.4 25.7 47.0 53.0 -56.6 243 874 C K T < 5S+ 0 0 197 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.682 75.4 134.7 57.3 23.3 44.1 55.2 -55.6 244 875 C K < - 0 0 113 -5,-2.4 -1,-0.2 -6,-0.2 -2,-0.2 -0.813 45.2-163.8-107.2 146.9 43.7 53.3 -52.3 245 876 C T S S+ 0 0 103 -2,-0.3 65,-2.7 1,-0.1 2,-0.6 0.617 76.9 66.7 -97.7 -18.7 43.1 54.8 -48.8 246 877 C R E S-e 310 0E 160 63,-0.2 65,-0.3 -7,-0.1 2,-0.2 -0.922 82.2-130.7-111.8 115.3 44.0 51.7 -46.9 247 878 C I E +e 311 0E 0 63,-2.9 65,-2.7 -2,-0.6 68,-0.2 -0.421 32.7 179.7 -61.6 131.1 47.6 50.4 -46.9 248 879 C I >> - 0 0 63 63,-0.2 4,-1.3 -2,-0.2 3,-1.0 -0.753 44.3 -85.9-125.6 174.4 47.8 46.7 -47.7 249 880 C P H >> S+ 0 0 10 0, 0.0 4,-2.9 0, 0.0 3,-0.8 0.897 124.0 57.5 -47.9 -49.7 50.7 44.2 -48.1 250 881 C R H 3> S+ 0 0 28 23,-0.4 4,-2.8 1,-0.3 5,-0.2 0.881 106.3 53.2 -51.3 -36.3 51.3 44.9 -51.7 251 882 C H H <> S+ 0 0 4 -3,-1.0 4,-1.5 2,-0.2 -1,-0.3 0.849 108.4 47.3 -67.5 -36.0 51.8 48.5 -50.7 252 883 C L H < S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 7,-0.6 0.941 115.5 46.2 -74.3 -46.8 60.3 48.2 -49.5 257 888 C R H 3< S+ 0 0 45 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.737 110.0 54.6 -71.8 -18.3 61.4 46.9 -52.9 258 889 C N T 3< S+ 0 0 114 -4,-1.2 2,-0.6 -5,-0.3 -1,-0.2 0.526 96.7 74.1 -92.2 0.8 61.5 50.3 -54.5 259 890 C D S <> S- 0 0 47 -3,-1.1 4,-3.0 -4,-0.3 5,-0.3 -0.928 72.2-147.4-115.9 112.0 63.9 51.8 -51.8 260 891 C E H > S+ 0 0 178 -2,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.875 96.4 42.5 -41.9 -50.6 67.5 50.7 -52.0 261 892 C E H > S+ 0 0 52 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.935 115.9 42.7 -69.1 -52.1 68.0 50.9 -48.2 262 893 C L H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.945 113.4 56.3 -60.9 -42.7 64.8 49.3 -46.9 263 894 C N H < S+ 0 0 40 -4,-3.0 -1,-0.2 -7,-0.6 -2,-0.2 0.894 110.4 43.7 -55.3 -42.1 65.2 46.7 -49.6 264 895 C K H >< S+ 0 0 133 -4,-1.8 3,-2.2 -5,-0.3 -1,-0.2 0.944 110.3 54.6 -68.6 -45.3 68.6 45.8 -48.4 265 896 C L H 3< S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.766 120.8 33.4 -57.8 -25.1 67.5 45.9 -44.7 266 897 C L T >< S+ 0 0 1 -4,-1.9 3,-1.7 -5,-0.2 -1,-0.3 -0.107 78.9 130.4-120.9 32.3 64.8 43.3 -45.7 267 898 C G T < S+ 0 0 43 -3,-2.2 -1,-0.1 1,-0.3 -2,-0.1 0.616 81.3 35.5 -63.5 -12.4 66.8 41.5 -48.3 268 899 C R T 3 S+ 0 0 187 -4,-0.2 286,-0.5 -3,-0.1 2,-0.4 -0.090 97.6 102.8-131.6 34.5 66.0 38.2 -46.8 269 900 C V E < -f 554 0F 9 -3,-1.7 2,-0.6 284,-0.1 286,-0.2 -0.898 56.7-148.7-117.8 145.7 62.5 38.9 -45.6 270 901 C T E -f 555 0F 25 284,-1.9 286,-2.9 -2,-0.4 2,-0.8 -0.963 6.0-151.4-119.6 122.1 59.3 37.8 -47.3 271 902 C I E > -f 556 0F 10 -2,-0.6 3,-1.2 4,-0.2 4,-0.2 -0.825 26.4-125.1 -92.9 112.5 56.3 40.0 -47.0 272 903 C A T 3 S+ 0 0 8 284,-1.7 -19,-0.1 -2,-0.8 46,-0.1 -0.172 88.9 8.2 -53.3 147.9 53.3 37.7 -47.3 273 904 C Q T 3 S+ 0 0 46 1,-0.1 -23,-0.4 130,-0.1 -1,-0.3 0.784 96.6 116.8 47.7 36.9 50.7 38.7 -50.0 274 905 C G < - 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0 0 29 -4,-0.5 -126,-0.4 -3,-0.2 -128,-0.0 -0.572 58.9-153.6-114.3 178.8 48.9 40.8 -58.5 403 658 E T + 0 0 30 -2,-0.2 -128,-0.3 -128,-0.1 -130,-0.1 0.396 47.5 121.9-131.5 1.5 49.4 39.0 -55.2 404 659 E E S S- 0 0 81 1,-0.1 -2,-0.1 -130,-0.1 2,-0.0 -0.326 71.9-100.4 -65.0 153.5 47.1 36.0 -54.9 405 660 E L - 0 0 16 1,-0.1 -1,-0.1 2,-0.1 4,-0.1 -0.385 27.8-150.6 -67.9 155.7 48.8 32.6 -54.4 406 661 E L + 0 0 2 2,-0.1 2,-0.4 -3,-0.1 88,-0.2 0.456 68.3 84.8-111.1 -2.7 48.9 30.8 -57.7 407 662 E I S S- 0 0 2 87,-0.1 80,-0.1 31,-0.1 -2,-0.1 -0.846 92.0-100.9-100.0 139.1 48.8 27.1 -56.5 408 663 E R > - 0 0 144 -2,-0.4 4,-1.9 78,-0.3 5,-0.2 -0.326 32.0-132.9 -58.2 135.1 45.4 25.7 -55.7 409 664 E K H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.955 96.3 44.3 -59.5 -60.4 44.7 25.7 -52.0 410 665 E L H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.945 112.8 51.9 -53.6 -50.6 43.4 22.2 -51.2 411 666 E P H > S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.931 109.8 50.5 -53.3 -43.5 46.0 20.5 -53.3 412 667 E F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.920 107.6 53.7 -60.2 -42.2 48.8 22.4 -51.5 413 668 E Q H X S+ 0 0 58 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.908 107.1 51.5 -59.3 -41.7 47.3 21.4 -48.1 414 669 E R H X S+ 0 0 106 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.876 107.5 52.6 -62.1 -38.5 47.4 17.7 -49.1 415 670 E L H X S+ 0 0 1 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.884 110.5 48.0 -67.1 -35.8 51.0 18.0 -50.1 416 671 E V H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.958 113.0 47.4 -67.5 -49.4 51.9 19.5 -46.7 417 672 E R H X S+ 0 0 97 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.887 113.2 49.4 -60.5 -38.1 50.0 16.8 -44.9 418 673 E E H X S+ 0 0 52 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.975 113.1 44.0 -66.9 -52.5 51.6 14.1 -46.9 419 674 E I H X S+ 0 0 7 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.875 116.9 49.3 -60.1 -34.6 55.2 15.3 -46.5 420 675 E A H >X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 3,-1.7 0.940 106.6 53.0 -69.8 -48.0 54.4 15.9 -42.8 421 676 E Q H 3< S+ 0 0 117 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.874 103.2 58.2 -56.7 -38.8 52.9 12.5 -42.1 422 677 E D H 3< S+ 0 0 129 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.768 112.5 41.9 -63.9 -20.8 56.0 10.9 -43.6 423 678 E F H << S- 0 0 72 -3,-1.7 2,-0.3 -4,-0.6 -2,-0.2 0.852 136.2 -2.4 -90.4 -38.6 58.0 12.8 -40.9 424 679 E K S < S- 0 0 83 -4,-2.7 -1,-0.4 3,-0.0 3,-0.1 -0.935 71.8-132.7-157.3 127.3 55.6 12.2 -38.0 425 680 E T S S+ 0 0 80 -2,-0.3 -3,-0.0 1,-0.2 -4,-0.0 -0.302 81.7 31.8 -76.5 167.0 52.2 10.5 -37.9 426 681 E D S S+ 0 0 119 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.967 79.5 156.5 48.7 76.4 49.2 11.9 -36.2 427 682 E L - 0 0 30 -3,-0.1 2,-0.3 -10,-0.1 111,-0.2 -0.986 28.8-153.7-132.6 142.0 49.8 15.7 -36.7 428 683 E R E -g 538 0G 184 109,-2.8 111,-3.6 -2,-0.4 2,-0.4 -0.862 7.7-149.9-114.0 150.2 47.4 18.6 -36.8 429 684 E F E -g 539 0G 21 -2,-0.3 111,-0.2 109,-0.2 2,-0.1 -0.967 14.2-133.3-123.0 128.7 47.8 21.9 -38.7 430 685 E Q >> - 0 0 86 109,-2.2 4,-1.5 -2,-0.4 3,-1.2 -0.526 33.0-121.7 -66.3 141.7 46.5 25.4 -37.8 431 686 E S H >> S+ 0 0 89 1,-0.3 4,-1.9 2,-0.2 3,-0.7 0.939 113.1 56.2 -55.2 -42.9 45.1 26.6 -41.0 432 687 E S H 3> S+ 0 0 41 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.744 99.8 59.7 -61.3 -23.2 47.4 29.6 -40.8 433 688 E A H <> S+ 0 0 0 -3,-1.2 4,-2.0 106,-0.2 -1,-0.3 0.888 106.3 46.9 -71.6 -39.0 50.4 27.3 -40.6 434 689 E V H <>S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 5,-1.1 0.984 112.3 48.0 -64.4 -54.2 68.6 31.1 -69.6 457 712 E I H ><5S+ 0 0 34 -4,-2.5 3,-2.3 1,-0.3 -1,-0.2 0.829 103.1 62.1 -55.4 -31.7 69.2 34.6 -70.9 458 713 E H H 3<5S+ 0 0 25 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.822 103.6 51.4 -61.7 -27.1 72.8 34.2 -69.9 459 714 E A T <<5S- 0 0 20 -3,-2.2 -1,-0.3 -4,-0.8 -2,-0.2 0.201 123.5-110.7 -90.0 9.2 72.7 31.3 -72.4 460 715 E K T < 5S+ 0 0 179 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.920 83.2 117.8 58.6 43.6 71.3 33.6 -75.0 461 716 E R < - 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