==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 06-APR-10 3MGL . COMPND 2 MOLECULE: SULFATE PERMEASE FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR C.CHANG,N.MARSHALL,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR . 254 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 12.6 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 . 0 0.0 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 . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 41.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 0 2 0 1 0 3 0 0 0 3 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 3 1 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 . 0 0 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 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 1 423 A N > 0 0 87 0, 0.0 4,-1.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 98.1 50.3 73.7 31.6 2 424 A A H > + 0 0 23 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.772 360.0 62.6 -74.1 -30.3 50.8 71.3 34.5 3 425 A E H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 107.9 43.8 -57.1 -45.0 47.8 69.2 33.3 4 426 A X H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 110.9 55.3 -66.1 -45.2 49.8 68.6 30.2 5 427 A S H X S+ 0 0 56 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.922 109.2 46.6 -53.2 -46.6 52.9 68.0 32.2 6 428 A Y H X S+ 0 0 33 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.916 113.0 47.0 -67.8 -44.6 51.2 65.2 34.2 7 429 A E H X S+ 0 0 11 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.887 110.4 53.1 -66.0 -39.8 49.6 63.4 31.3 8 430 A L H ><>S+ 0 0 8 -4,-2.6 5,-3.0 2,-0.2 3,-0.6 0.948 109.8 48.5 -57.1 -48.1 52.9 63.5 29.3 9 431 A A H ><5S+ 0 0 61 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.894 105.1 57.8 -60.6 -42.5 54.7 61.9 32.2 10 432 A Q H 3<5S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.818 111.1 44.4 -55.5 -32.3 52.0 59.2 32.6 11 433 A H T <<5S- 0 0 44 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.264 123.9-105.2 -97.8 8.9 52.8 58.3 29.0 12 434 A G T < 5S+ 0 0 71 -3,-2.0 -3,-0.2 1,-0.3 2,-0.2 0.568 81.8 117.7 82.8 11.0 56.6 58.4 29.5 13 435 A R < - 0 0 99 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.682 46.9-170.4-110.2 161.5 57.1 61.7 27.7 14 436 A S S S+ 0 0 110 -2,-0.2 2,-0.3 1,-0.1 -5,-0.1 0.517 79.3 44.2-115.7 -23.5 58.3 65.2 28.6 15 437 A T S S- 0 0 82 -7,-0.1 -1,-0.1 -6,-0.0 3,-0.0 -0.839 94.5 -93.3-120.6 157.8 57.3 67.0 25.3 16 438 A L - 0 0 60 -2,-0.3 2,-0.1 -3,-0.1 -2,-0.0 -0.523 51.0-114.9 -63.4 131.5 54.2 66.9 23.1 17 439 A P > - 0 0 8 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.397 22.9-110.2 -71.4 152.8 54.8 64.3 20.4 18 440 A R T 3 S+ 0 0 198 1,-0.3 31,-0.1 30,-0.1 -2,-0.1 0.743 114.9 62.3 -48.1 -33.1 55.0 65.5 16.8 19 441 A E T 3 S+ 0 0 79 29,-0.2 31,-2.6 30,-0.1 30,-1.1 0.607 95.9 71.6 -75.0 -10.4 51.6 64.0 16.0 20 442 A L E < +a 50 0A 9 -3,-2.3 2,-0.3 29,-0.2 31,-0.2 -0.913 53.8 178.9-119.4 131.2 49.7 66.1 18.4 21 443 A A E -a 51 0A 23 29,-2.8 31,-2.9 -2,-0.4 2,-0.4 -0.914 10.7-156.7-123.5 152.2 48.8 69.8 18.4 22 444 A V E +a 52 0A 38 -2,-0.3 2,-0.4 29,-0.2 31,-0.2 -0.995 11.7 177.9-131.1 130.9 46.8 71.9 20.9 23 445 A Y E -a 53 0A 40 29,-3.2 31,-2.7 -2,-0.4 2,-0.5 -0.999 12.3-153.6-136.7 137.5 45.0 75.1 20.2 24 446 A A E -a 54 0A 20 -2,-0.4 2,-0.5 29,-0.2 31,-0.2 -0.926 11.0-142.5-114.7 129.9 42.8 77.3 22.5 25 447 A L E - 0 0 0 29,-2.0 2,-0.7 -2,-0.5 32,-0.5 -0.752 24.8-151.4 -79.3 123.2 40.0 79.6 21.5 26 448 A E E -a 57 0A 136 -2,-0.5 3,-0.2 4,-0.1 7,-0.1 -0.900 52.1 -20.1-110.6 114.9 40.4 82.5 23.8 27 449 A G S S- 0 0 23 30,-0.9 3,-0.3 -2,-0.7 31,-0.1 0.127 89.5 -71.5 79.6 169.0 37.3 84.4 24.7 28 450 A P S S+ 0 0 28 0, 0.0 2,-0.6 0, 0.0 34,-0.2 0.676 126.0 62.4 -72.0 -14.9 34.0 84.5 22.9 29 451 A F + 0 0 142 -3,-0.2 3,-0.4 1,-0.2 4,-0.3 -0.550 57.7 142.3-111.0 64.2 35.5 86.6 20.0 30 452 A F > + 0 0 3 -2,-0.6 4,-3.2 -3,-0.3 5,-0.2 0.313 33.9 110.6 -83.7 8.1 38.0 84.1 18.8 31 453 A F H > S+ 0 0 67 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.900 75.9 45.5 -57.8 -50.3 37.5 85.0 15.1 32 454 A A H > S+ 0 0 70 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.918 117.4 45.7 -61.8 -43.5 40.8 86.7 14.4 33 455 A A H > S+ 0 0 43 -4,-0.3 4,-2.2 2,-0.2 5,-0.2 0.919 111.1 52.2 -62.1 -46.1 42.7 84.0 16.1 34 456 A A H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.939 109.0 52.2 -55.4 -45.8 40.7 81.2 14.4 35 457 A E H X S+ 0 0 112 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.885 110.1 45.8 -58.3 -47.6 41.5 82.9 11.0 36 458 A T H X S+ 0 0 70 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.870 113.6 48.9 -67.4 -37.0 45.2 83.0 11.5 37 459 A F H X S+ 0 0 39 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.889 108.8 52.4 -73.8 -40.2 45.4 79.4 12.8 38 460 A E H X S+ 0 0 38 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.920 110.9 50.6 -51.9 -44.8 43.4 78.2 9.9 39 461 A R H X S+ 0 0 139 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.940 111.0 46.3 -63.1 -49.9 45.9 80.0 7.7 40 462 A V H >X S+ 0 0 69 -4,-2.6 4,-2.9 1,-0.2 3,-0.6 0.926 110.0 53.5 -57.8 -47.9 49.0 78.4 9.4 41 463 A X H 3< S+ 0 0 7 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.867 113.6 43.2 -59.9 -36.3 47.4 75.0 9.2 42 464 A G H 3< S+ 0 0 54 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.710 118.0 47.6 -74.6 -20.8 46.9 75.4 5.4 43 465 A S H << S+ 0 0 99 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.2 0.871 89.7 86.8 -95.2 -40.3 50.4 77.0 5.0 44 466 A I S < S- 0 0 64 -4,-2.9 3,-0.1 -5,-0.1 0, 0.0 -0.258 71.3-135.8 -63.0 149.1 52.7 74.6 6.9 45 467 A Q S S+ 0 0 178 1,-0.2 2,-0.5 2,-0.0 -1,-0.1 0.825 88.6 47.7 -76.2 -34.9 54.2 71.6 5.1 46 468 A E S S- 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.945 70.8-163.6-121.0 121.4 53.6 69.1 7.9 47 469 A T - 0 0 42 -2,-0.5 2,-0.1 32,-0.1 -6,-0.0 -0.719 23.0-110.4-104.1 152.4 50.4 68.7 9.7 48 470 A P - 0 0 16 0, 0.0 -29,-0.2 0, 0.0 -28,-0.2 -0.402 16.2-132.4 -75.1 160.8 49.6 67.0 13.0 49 471 A Q S S+ 0 0 71 -30,-1.1 33,-2.4 1,-0.2 2,-0.4 0.840 92.8 28.7 -77.5 -35.6 47.6 63.8 13.2 50 472 A I E -ab 20 82A 0 -31,-2.6 -29,-2.8 31,-0.2 2,-0.5 -0.983 63.8-167.9-131.6 133.5 45.5 65.1 16.0 51 473 A L E -ab 21 83A 0 31,-2.9 33,-3.1 -2,-0.4 2,-0.6 -0.983 9.6-154.5-114.1 129.1 44.4 68.6 17.0 52 474 A I E -ab 22 84A 0 -31,-2.9 -29,-3.2 -2,-0.5 2,-0.7 -0.899 6.3-158.2 -96.7 122.6 42.8 69.4 20.4 53 475 A L E -ab 23 85A 0 31,-3.6 33,-2.3 -2,-0.6 2,-0.5 -0.903 9.5-151.3 -98.9 110.8 40.6 72.5 20.4 54 476 A R E +ab 24 86A 18 -31,-2.7 -29,-2.0 -2,-0.7 3,-0.2 -0.699 18.8 176.9 -83.6 122.6 40.3 73.8 23.9 55 477 A L E > + 0 0 1 31,-3.4 3,-2.0 -2,-0.5 34,-0.4 0.268 46.0 111.5-109.4 8.6 37.0 75.6 24.5 56 478 A K E 3 S+ 0 0 95 1,-0.3 -1,-0.1 30,-0.3 31,-0.1 0.761 78.5 50.8 -53.3 -33.7 37.3 76.4 28.2 57 479 A W E 3 S+a 26 0A 109 -32,-0.5 -30,-0.9 -3,-0.2 -1,-0.3 0.300 86.6 96.9 -93.8 11.7 37.7 80.1 27.7 58 480 A V < - 0 0 1 -3,-2.0 31,-0.5 29,-0.2 34,-0.2 -0.871 48.8-178.6-104.9 105.0 34.6 80.4 25.4 59 481 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 33,-0.2 0.776 65.9 -7.4 -79.1 -29.5 31.7 81.6 27.6 60 482 A F - 0 0 82 31,-0.1 2,-0.4 32,-0.1 32,-0.0 -0.938 60.7-144.9-153.8 169.1 29.0 81.6 24.9 61 483 A X - 0 0 9 -2,-0.3 2,-0.2 -3,-0.1 -32,-0.1 -0.985 9.4-168.0-141.6 128.5 28.6 81.1 21.2 62 484 A D > - 0 0 67 -2,-0.4 4,-2.2 -34,-0.2 3,-0.4 -0.577 49.1 -84.6-102.5-179.3 26.3 82.8 18.7 63 485 A I H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.748 127.5 57.1 -53.2 -30.0 25.7 81.8 15.1 64 486 A T H > S+ 0 0 68 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.924 109.7 43.0 -71.1 -44.8 28.7 83.8 14.0 65 487 A G H > S+ 0 0 2 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.839 113.0 54.7 -65.7 -35.0 31.1 81.9 16.3 66 488 A I H X S+ 0 0 11 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.947 110.7 42.6 -65.4 -50.4 29.4 78.6 15.3 67 489 A Q H X S+ 0 0 110 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.860 113.9 53.6 -64.8 -33.8 29.9 79.0 11.6 68 490 A T H X S+ 0 0 33 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.904 112.9 43.4 -63.0 -42.6 33.4 80.3 12.2 69 491 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.915 112.1 52.1 -72.5 -45.7 34.1 77.1 14.2 70 492 A E H X S+ 0 0 73 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.971 111.7 47.3 -48.8 -58.0 32.4 74.8 11.7 71 493 A E H X S+ 0 0 114 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.870 111.7 51.4 -54.7 -42.2 34.6 76.4 8.8 72 494 A X H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.921 111.3 45.7 -62.5 -48.6 37.8 76.0 10.9 73 495 A I H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.897 109.4 56.1 -65.2 -40.5 37.2 72.4 11.7 74 496 A Q H X S+ 0 0 95 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.905 105.5 52.1 -56.1 -42.8 36.3 71.7 8.0 75 497 A S H X S+ 0 0 18 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.854 111.3 47.5 -60.7 -38.1 39.7 73.2 6.9 76 498 A F H ><>S+ 0 0 1 -4,-1.5 5,-2.3 1,-0.2 3,-0.7 0.910 109.0 53.0 -72.5 -41.1 41.4 70.8 9.4 77 499 A H H ><5S+ 0 0 67 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.812 102.4 58.2 -61.5 -34.6 39.5 67.7 8.3 78 500 A K H 3<5S+ 0 0 171 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.759 103.8 52.6 -72.9 -21.4 40.4 68.2 4.6 79 501 A R T <<5S- 0 0 89 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.308 125.8-102.9 -88.6 7.0 44.1 68.1 5.5 80 502 A G T < 5S+ 0 0 63 -3,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.608 71.7 149.7 84.4 13.5 43.5 64.8 7.3 81 503 A I < - 0 0 2 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.2 -0.690 41.3-142.1 -88.3 125.3 43.6 66.2 10.8 82 504 A K E -b 50 0A 70 -33,-2.4 -31,-2.9 -2,-0.5 2,-0.5 -0.708 22.0-149.1 -81.7 129.6 41.4 64.5 13.5 83 505 A V E -b 51 0A 1 -2,-0.4 2,-0.4 -33,-0.2 -31,-0.2 -0.906 13.7-169.7-110.7 130.6 40.0 67.2 15.7 84 506 A L E -b 52 0A 2 -33,-3.1 -31,-3.6 -2,-0.5 2,-0.4 -0.917 9.5-151.1-111.5 145.8 39.1 66.8 19.4 85 507 A I E +bc 53 110A 0 24,-2.2 26,-2.9 -2,-0.4 2,-0.3 -0.938 18.1 176.7-113.4 136.9 37.1 69.3 21.4 86 508 A S E +bc 54 111A 1 -33,-2.3 -31,-3.4 -2,-0.4 -30,-0.3 -0.981 48.7 19.3-138.0 154.6 37.5 69.8 25.1 87 509 A G + 0 0 16 24,-1.4 -29,-0.2 -2,-0.3 26,-0.1 0.559 59.4 163.2 75.3 13.9 36.3 72.0 28.0 88 510 A A - 0 0 14 23,-0.4 -1,-0.2 4,-0.1 -32,-0.1 -0.432 39.5-122.6 -57.3 134.2 33.0 73.4 26.5 89 511 A N > - 0 0 58 -31,-0.5 4,-2.9 -34,-0.4 5,-0.2 -0.171 36.2 -85.1 -69.1 179.6 31.0 74.8 29.5 90 512 A S H > S+ 0 0 95 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.840 127.9 37.9 -61.1 -37.0 27.5 73.5 30.2 91 513 A R H > S+ 0 0 155 2,-0.2 4,-2.1 -32,-0.2 -1,-0.2 0.895 115.7 50.0 -85.6 -42.1 25.7 75.9 27.8 92 514 A V H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.891 106.8 59.8 -58.3 -37.6 28.4 75.9 25.0 93 515 A S H X S+ 0 0 50 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.924 107.0 44.9 -53.9 -48.2 28.2 72.0 25.3 94 516 A Q H X S+ 0 0 123 -4,-1.1 4,-2.6 1,-0.2 -1,-0.2 0.872 112.3 52.1 -64.3 -39.9 24.4 72.2 24.4 95 517 A K H X S+ 0 0 65 -4,-2.1 4,-2.3 2,-0.2 6,-0.3 0.880 105.5 54.7 -60.9 -42.6 25.1 74.6 21.5 96 518 A L H <>S+ 0 0 1 -4,-2.5 5,-1.8 2,-0.2 6,-1.3 0.892 111.8 44.1 -60.7 -42.3 27.7 72.4 20.0 97 519 A V H ><5S+ 0 0 97 -4,-1.5 3,-1.4 4,-0.2 6,-0.2 0.968 114.9 47.9 -63.6 -55.3 25.2 69.5 19.9 98 520 A K H 3<5S+ 0 0 155 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.775 112.1 49.9 -58.1 -34.7 22.3 71.6 18.5 99 521 A A T 3<5S- 0 0 41 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.422 114.2-109.5 -88.6 -3.5 24.5 73.3 15.8 100 522 A G T <>5S+ 0 0 24 -3,-1.4 4,-1.7 -4,-0.4 -3,-0.2 0.613 83.9 120.6 87.6 12.2 26.0 70.0 14.4 101 523 A I H > S+ 0 0 20 -6,-1.3 4,-2.8 1,-0.2 7,-0.2 0.894 112.0 51.8 -66.1 -40.8 29.6 67.3 17.7 103 525 A K H 4 S+ 0 0 178 -7,-0.3 -1,-0.2 -6,-0.2 -2,-0.2 0.907 108.6 52.1 -56.0 -46.8 28.2 65.6 14.6 104 526 A L H < S+ 0 0 49 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.886 122.0 27.7 -60.6 -45.4 31.1 67.1 12.6 105 527 A V H < S- 0 0 9 -4,-2.2 -2,-0.2 -23,-0.1 -1,-0.2 0.728 117.2-105.2 -90.5 -21.5 33.9 65.9 14.9 106 528 A G >< - 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0 0 1 29,-2.2 32,-0.3 -2,-0.5 6,-0.1 -0.559 28.6-129.8 -67.9 126.5 50.8 79.5 49.0 153 448 B E - 0 0 63 -2,-0.3 -1,-0.1 4,-0.2 4,-0.1 0.888 57.8 -60.6 -52.3 -70.7 50.0 82.9 47.8 154 449 B G S > S- 0 0 16 31,-0.0 3,-0.5 -3,-0.0 31,-0.2 -0.647 83.8 -47.5-148.2-150.2 53.2 84.0 46.1 155 450 B P T 3 S+ 0 0 33 0, 0.0 2,-0.5 0, 0.0 34,-0.2 0.770 136.7 51.8 -61.8 -25.9 56.8 84.5 47.4 156 451 B F T 3 + 0 0 140 1,-0.1 3,-0.4 32,-0.1 4,-0.3 -0.582 63.5 147.0-113.0 65.7 55.4 86.4 50.4 157 452 B F <> + 0 0 1 -2,-0.5 4,-3.1 -3,-0.5 5,-0.3 0.343 35.4 111.0 -81.2 6.1 52.8 84.0 51.6 158 453 B F H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 75.7 44.0 -51.5 -56.8 53.4 85.0 55.3 159 454 B A H > S+ 0 0 72 -3,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.940 119.1 43.2 -56.2 -50.2 50.0 86.8 56.0 160 455 B A H > S+ 0 0 36 -4,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.868 113.1 51.3 -67.2 -40.6 47.9 84.2 54.3 161 456 B A H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.874 108.4 53.8 -60.3 -38.5 49.9 81.3 55.9 162 457 B E H X S+ 0 0 121 -4,-2.2 4,-1.9 -5,-0.3 -2,-0.2 0.928 109.8 46.3 -63.7 -47.0 49.4 82.9 59.3 163 458 B T H X S+ 0 0 68 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.878 112.9 49.1 -62.1 -41.5 45.6 83.1 58.9 164 459 B F H X S+ 0 0 39 -4,-1.9 4,-3.1 2,-0.2 -1,-0.2 0.854 108.0 53.6 -71.5 -38.3 45.3 79.5 57.6 165 460 B E H X S+ 0 0 38 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.925 110.7 48.7 -55.3 -46.1 47.4 78.2 60.5 166 461 B R H X S+ 0 0 132 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.919 112.4 47.5 -62.2 -47.1 44.9 80.0 62.7 167 462 B V H >X S+ 0 0 64 -4,-2.6 4,-2.4 2,-0.2 3,-1.4 0.951 111.2 50.6 -58.3 -50.8 41.9 78.5 60.9 168 463 B X H 3< S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.916 114.8 43.5 -57.2 -43.7 43.4 75.0 61.0 169 464 B G H 3< S+ 0 0 54 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.539 117.3 48.8 -73.3 -7.4 44.0 75.3 64.8 170 465 B S H << S+ 0 0 93 -3,-1.4 -2,-0.2 -4,-0.6 -1,-0.2 0.756 87.7 88.3-109.1 -32.9 40.6 76.9 65.3 171 466 B I S < S- 0 0 63 -4,-2.4 3,-0.0 -5,-0.1 0, 0.0 -0.412 72.3-131.4 -69.8 146.9 38.1 74.6 63.5 172 467 B Q S S+ 0 0 181 -2,-0.1 2,-0.4 1,-0.1 -1,-0.1 0.937 90.9 43.0 -59.6 -55.4 36.5 71.6 65.3 173 468 B E S S- 0 0 120 -3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.831 70.2-162.8-104.5 135.1 37.1 69.1 62.5 174 469 B T - 0 0 45 -2,-0.4 -6,-0.0 32,-0.1 -5,-0.0 -0.867 23.0-111.6-113.4 148.6 40.4 68.7 60.6 175 470 B P - 0 0 17 0, 0.0 -28,-0.2 0, 0.0 -29,-0.2 -0.280 17.5-130.0 -69.0 161.5 41.0 66.9 57.3 176 471 B Q S S+ 0 0 70 -30,-1.4 33,-2.4 1,-0.2 2,-0.4 0.836 92.4 30.5 -75.0 -37.9 43.1 63.8 57.1 177 472 B I E -de 147 209B 2 -31,-2.6 -29,-2.8 31,-0.2 2,-0.5 -0.980 62.9-168.8-131.5 132.1 45.2 65.1 54.2 178 473 B L E -de 148 210B 0 31,-2.8 33,-3.2 -2,-0.4 2,-0.6 -0.974 9.2-155.8-116.4 131.9 46.3 68.6 53.3 179 474 B I E -de 149 211B 0 -31,-2.3 -29,-3.0 -2,-0.5 2,-0.7 -0.931 6.8-157.4-104.3 123.2 47.9 69.4 49.9 180 475 B L E -de 150 212B 0 31,-3.2 33,-1.9 -2,-0.6 2,-0.5 -0.901 10.5-147.2 -99.6 118.1 50.0 72.5 49.9 181 476 B R E +de 151 213B 43 -31,-3.2 -29,-2.2 -2,-0.7 3,-0.2 -0.755 20.6 176.6 -91.7 123.9 50.4 73.9 46.4 182 477 B L > + 0 0 0 31,-2.9 3,-2.1 -2,-0.5 34,-0.4 0.331 46.7 110.3-108.5 4.6 53.7 75.6 45.8 183 478 B K T 3 S+ 0 0 102 1,-0.3 -1,-0.1 30,-0.2 31,-0.1 0.798 79.1 50.1 -46.1 -41.0 53.3 76.4 42.1 184 479 B W T 3 S+ 0 0 128 -32,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.384 85.8 100.8 -90.8 8.6 53.0 80.1 42.7 185 480 B V < - 0 0 1 -3,-2.1 31,-0.5 1,-0.2 34,-0.2 -0.773 47.2-177.1 -94.5 104.3 56.1 80.3 44.9 186 481 B P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 33,-0.2 0.852 66.7 -14.9 -73.1 -31.5 59.0 81.7 42.8 187 482 B F - 0 0 81 31,-0.1 2,-0.4 32,-0.1 32,-0.0 -0.943 59.4-140.8-158.0 168.5 61.8 81.4 45.5 188 483 B X - 0 0 7 -2,-0.3 2,-0.2 -3,-0.1 -32,-0.1 -0.990 11.8-169.8-141.4 129.2 62.1 80.9 49.2 189 484 B D > - 0 0 67 -2,-0.4 4,-2.5 -34,-0.2 3,-0.4 -0.534 50.6 -82.3-103.8-176.2 64.5 82.5 51.7 190 485 B I H > S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.729 128.8 57.9 -59.7 -25.1 65.1 81.6 55.3 191 486 B T H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.927 110.2 42.0 -71.7 -44.6 62.0 83.6 56.3 192 487 B G H > S+ 0 0 2 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.897 114.1 53.9 -64.6 -41.1 59.7 81.6 54.1 193 488 B I H X S+ 0 0 12 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.936 110.6 43.5 -60.2 -50.8 61.4 78.4 55.1 194 489 B Q H X S+ 0 0 107 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.870 114.7 51.4 -67.5 -34.5 60.9 78.9 58.8 195 490 B T H X S+ 0 0 29 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.930 113.6 43.3 -62.0 -48.8 57.3 80.1 58.2 196 491 B L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.900 112.3 53.2 -67.7 -44.4 56.5 77.0 56.2 197 492 B E H X S+ 0 0 73 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.940 111.7 45.6 -49.4 -53.6 58.3 74.7 58.6 198 493 B E H X S+ 0 0 108 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.895 112.3 53.2 -59.5 -42.1 56.2 76.2 61.6 199 494 B X H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.912 109.6 46.0 -59.7 -48.7 53.1 75.9 59.5 200 495 B I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.886 110.5 53.8 -66.4 -39.9 53.6 72.2 58.7 201 496 B Q H X S+ 0 0 105 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.892 105.6 52.8 -62.1 -38.9 54.4 71.4 62.3 202 497 B S H X S+ 0 0 19 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.874 111.8 47.8 -67.2 -30.5 51.2 73.0 63.5 203 498 B F H ><>S+ 0 0 1 -4,-1.5 5,-2.0 2,-0.2 3,-0.9 0.913 110.4 50.3 -70.8 -44.0 49.4 70.7 61.0 204 499 B H H ><5S+ 0 0 66 -4,-2.7 3,-2.3 1,-0.3 -2,-0.2 0.886 102.2 60.3 -63.1 -40.1 51.2 67.5 62.0 205 500 B K H 3<5S+ 0 0 177 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.732 103.6 52.4 -65.1 -18.4 50.4 68.1 65.7 206 501 B R T <<5S- 0 0 87 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.207 125.7-101.7 -94.2 13.7 46.7 68.0 64.8 207 502 B G T < 5S+ 0 0 64 -3,-2.3 2,-0.6 1,-0.2 -3,-0.2 0.688 72.8 149.1 75.4 20.0 47.2 64.6 63.0 208 503 B I < - 0 0 2 -5,-2.0 2,-0.4 -8,-0.1 -1,-0.2 -0.772 41.2-144.2 -92.9 121.2 47.2 66.1 59.5 209 504 B K E -e 177 0B 75 -33,-2.4 -31,-2.8 -2,-0.6 2,-0.5 -0.695 21.5-150.4 -77.2 130.7 49.2 64.4 56.8 210 505 B V E -e 178 0B 1 -2,-0.4 2,-0.3 -33,-0.2 -31,-0.2 -0.906 13.4-169.8-113.4 128.9 50.7 67.1 54.5 211 506 B L E -e 179 0B 2 -33,-3.2 -31,-3.2 -2,-0.5 2,-0.4 -0.865 9.6-151.0-110.6 148.9 51.6 66.7 50.8 212 507 B I E +ef 180 237B 1 24,-2.5 26,-2.9 -2,-0.3 2,-0.3 -0.943 18.8 173.7-119.2 140.0 53.5 69.2 48.8 213 508 B S E +ef 181 238B 1 -33,-1.9 -31,-2.9 -2,-0.4 -30,-0.2 -0.972 49.0 24.6-140.8 155.4 53.1 69.8 45.1 214 509 B G + 0 0 19 24,-1.2 -29,-0.1 -2,-0.3 26,-0.1 0.447 60.9 159.7 79.9 1.6 54.3 72.1 42.3 215 510 B A - 0 0 13 23,-0.4 -1,-0.2 4,-0.1 -32,-0.1 -0.358 41.0-124.1 -58.1 131.3 57.6 73.4 43.7 216 511 B N > - 0 0 58 -31,-0.5 4,-2.7 -34,-0.4 5,-0.2 -0.076 35.0 -90.7 -64.9-179.1 59.7 74.7 40.8 217 512 B S H > S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.804 126.9 44.9 -71.7 -25.1 63.2 73.2 40.3 218 513 B R H > S+ 0 0 149 2,-0.2 4,-2.4 -32,-0.1 -1,-0.2 0.931 115.0 45.4 -80.0 -49.9 64.9 75.9 42.5 219 514 B V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 109.1 58.9 -60.0 -39.7 62.3 75.8 45.3 220 515 B S H X S+ 0 0 48 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.905 107.8 45.9 -52.4 -46.1 62.4 71.9 45.1 221 516 B Q H X S+ 0 0 148 -4,-1.1 4,-2.6 1,-0.2 3,-0.5 0.937 111.3 51.8 -63.2 -46.9 66.2 72.1 45.9 222 517 B K H X S+ 0 0 63 -4,-2.4 4,-2.8 1,-0.2 6,-0.3 0.872 105.6 55.4 -58.0 -40.2 65.6 74.6 48.7 223 518 B L H <>S+ 0 0 1 -4,-2.7 5,-1.6 2,-0.2 6,-1.5 0.831 111.6 43.2 -63.9 -35.6 63.0 72.3 50.4 224 519 B V H ><5S+ 0 0 99 -4,-1.2 3,-1.3 -3,-0.5 6,-0.2 0.933 114.2 51.1 -68.9 -51.2 65.5 69.4 50.5 225 520 B K H 3<5S+ 0 0 160 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.876 111.6 47.8 -53.0 -43.3 68.2 71.7 51.7 226 521 B A T 3<5S- 0 0 34 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.547 113.7-113.5 -79.3 -10.0 66.0 73.1 54.5 227 522 B G T <>5S+ 0 0 32 -3,-1.3 4,-1.8 -4,-0.4 -3,-0.2 0.553 82.3 122.5 84.7 9.2 64.8 69.7 55.7 228 523 B I H > S+ 0 0 15 -6,-1.5 4,-2.4 2,-0.2 7,-0.2 0.937 110.6 48.8 -69.6 -44.2 61.2 67.2 52.4 230 525 B K H 4 S+ 0 0 190 -7,-0.3 -2,-0.2 -6,-0.2 -1,-0.2 0.904 109.0 55.9 -54.2 -42.6 62.4 65.1 55.4 231 526 B L H < S+ 0 0 52 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.883 118.9 28.3 -63.8 -43.1 59.7 66.7 57.5 232 527 B V H < S- 0 0 8 -4,-1.9 -1,-0.2 -23,-0.1 -2,-0.2 0.696 120.5-101.4 -89.8 -18.7 56.7 65.7 55.3 233 528 B G >< - 0 0 14 -4,-2.4 3,-2.4 -5,-0.2 4,-0.2 0.303 20.9-108.3 96.5 127.2 58.4 62.5 53.9 234 529 B E G > S+ 0 0 161 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.779 119.4 61.2 -56.8 -30.3 59.9 62.3 50.4 235 530 B Q G 3 S+ 0 0 132 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.525 98.9 58.5 -75.4 -6.9 57.0 60.1 49.3 236 531 B N G < S+ 0 0 15 -3,-2.4 -24,-2.5 -7,-0.2 2,-0.5 0.293 86.0 90.3-105.3 5.1 54.6 63.1 50.1 237 532 B V E < -f 212 0B 40 -3,-1.1 -24,-0.2 -26,-0.2 3,-0.1 -0.899 57.6-171.3-106.8 130.1 56.3 65.6 47.7 238 533 B Y E -f 213 0B 57 -26,-2.9 -24,-1.2 -2,-0.5 -23,-0.4 -0.971 28.0-140.7-128.4 133.0 54.9 65.7 44.1 239 534 B P S S+ 0 0 114 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.841 91.3 26.7 -58.6 -30.9 56.2 67.5 41.1 240 535 B V S >> S- 0 0 24 -27,-0.1 4,-1.4 -28,-0.1 3,-0.6 -0.962 79.0-119.6-139.4 145.8 52.7 68.4 40.0 241 536 B F H 3> S+ 0 0 11 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.859 109.9 59.6 -52.2 -44.3 49.3 68.9 41.7 242 537 B E H 3> S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.884 102.9 52.4 -56.4 -41.0 47.6 66.2 39.8 243 538 B G H <> S+ 0 0 12 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.921 112.1 45.8 -57.2 -46.2 50.0 63.6 41.2 244 539 B A H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.879 114.0 48.2 -66.4 -38.2 49.4 64.7 44.8 245 540 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.956 111.4 49.5 -70.7 -49.7 45.6 64.8 44.3 246 541 B S H X S+ 0 0 29 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.936 113.6 46.4 -49.1 -52.9 45.5 61.3 42.7 247 542 B A H X S+ 0 0 27 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.827 112.1 51.1 -65.3 -32.4 47.6 59.9 45.6 248 543 B A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.925 110.3 48.2 -68.5 -47.6 45.5 61.6 48.2 249 544 B L H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.864 113.3 49.0 -60.4 -36.9 42.2 60.3 46.7 250 545 B T H X S+ 0 0 73 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.927 110.3 49.1 -69.9 -48.0 43.7 56.8 46.6 251 546 B E H < S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 112.1 49.9 -57.6 -44.6 45.0 56.9 50.2 252 547 B I H < S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.9 50.5 -60.1 -42.1 41.5 58.1 51.4 253 548 B E H < S+ 0 0 83 -4,-1.8 2,-2.6 1,-0.2 -1,-0.2 0.844 92.3 75.6 -67.4 -34.4 39.7 55.3 49.5 254 549 B A < 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -4,-0.1 -0.264 360.0 360.0 -74.6 58.0 41.9 52.5 50.9 255 550 B Q 0 0 152 -2,-2.6 -1,-0.2 -3,-0.1 -2,-0.2 0.371 360.0 360.0-165.3 360.0 40.0 52.8 54.2