==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 17-OCT-05 2BBO . COMPND 2 MOLECULE: CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.A.LEWIS,M.C.KEARINS,K.CONNERS,X.ZHAO,F.LU,J.M.SAUDER, . 254 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13115.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 10.2 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 1 2 3 0 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 3 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 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 389 A T 0 0 82 0, 0.0 2,-0.3 0, 0.0 149,-0.2 0.000 360.0 360.0 360.0 177.4 42.3 34.7 62.3 2 390 A T - 0 0 10 147,-1.0 31,-0.4 29,-0.1 2,-0.3 -0.799 360.0-124.4-132.2 167.3 45.2 37.1 61.9 3 391 A E - 0 0 62 -2,-0.3 2,-0.5 29,-0.1 64,-0.3 -0.867 23.9-145.1-104.2 148.2 48.8 37.7 60.7 4 392 A V E -A 30 0A 0 26,-1.8 26,-2.4 -2,-0.3 2,-0.5 -0.973 16.7-175.7-116.5 126.5 51.5 39.0 63.1 5 393 A V E +AB 29 65A 21 60,-2.1 60,-2.3 -2,-0.5 2,-0.4 -0.983 6.7 179.9-123.8 125.4 54.2 41.3 61.7 6 394 A M E -AB 28 64A 3 22,-3.3 22,-1.4 -2,-0.5 2,-0.4 -0.996 5.1-176.9-121.3 132.9 57.1 42.7 63.7 7 395 A E E - B 0 63A 101 56,-1.6 56,-0.9 -2,-0.4 20,-0.2 -0.966 65.5 -34.6-135.0 114.7 59.6 45.0 62.0 8 396 A N E S- 0 0 83 -2,-0.4 2,-0.4 17,-0.3 17,-0.2 0.850 82.3-177.9 42.3 52.8 62.8 46.4 63.7 9 397 A V E +A 26 0A 0 17,-1.9 17,-2.3 15,-0.1 2,-0.4 -0.668 14.7 172.8 -90.3 129.0 61.0 46.6 67.1 10 398 A T E + B 0 61A 18 51,-1.1 50,-2.9 -2,-0.4 51,-1.4 -1.000 5.8 176.4-131.9 135.0 62.8 48.0 70.1 11 399 A A E -AB 23 59A 0 12,-1.7 12,-1.2 -2,-0.4 11,-1.0 -0.954 15.7-152.6-135.7 155.5 61.1 48.6 73.5 12 400 A F - 0 0 82 46,-0.6 2,-0.6 -2,-0.3 46,-0.3 -0.946 28.9-111.8-124.0 146.7 62.1 49.8 77.0 13 401 A W - 0 0 103 7,-0.5 44,-0.1 -2,-0.3 -2,-0.0 -0.719 28.3-172.2 -80.6 122.2 60.4 49.0 80.3 14 402 A E + 0 0 138 -2,-0.6 -1,-0.2 2,-0.1 43,-0.0 0.827 64.7 48.6 -85.4 -36.1 58.9 52.2 81.6 15 403 A E 0 0 127 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.080 360.0 360.0 -89.5-159.5 57.8 51.0 85.0 16 404 A G 0 0 127 -2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.823 360.0 360.0 128.9 360.0 59.7 49.1 87.7 17 ! 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 18 436 A L 0 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.9 74.3 49.6 81.8 19 437 A G + 0 0 89 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.192 360.0 164.1 -59.2 131.9 71.5 47.5 80.2 20 438 A T + 0 0 108 1,-0.2 -7,-0.5 -8,-0.0 2,-0.2 0.798 44.3 57.6-113.4 -71.7 68.6 49.4 78.6 21 439 A P - 0 0 35 0, 0.0 -9,-0.2 0, 0.0 -1,-0.2 -0.468 51.9-154.8 -81.8 139.0 66.1 47.8 76.2 22 440 A V S S+ 0 0 28 -11,-1.0 2,-0.3 1,-0.2 -10,-0.2 0.821 88.5 24.0 -70.2 -34.3 64.1 44.8 77.1 23 441 A L E S-A 11 0A 0 -12,-1.2 -12,-1.7 25,-0.1 2,-0.5 -0.999 75.0-159.6-137.8 140.2 63.7 43.8 73.4 24 442 A K E -c 205 0B 114 180,-3.2 182,-0.5 -2,-0.3 -14,-0.2 -0.964 60.5 -27.3-134.7 118.0 66.0 44.7 70.5 25 443 A D E S- 0 0 92 -2,-0.5 -17,-0.3 -17,-0.2 2,-0.3 0.802 73.2-171.9 57.1 39.3 65.5 44.8 66.8 26 444 A I E +A 9 0A 0 -17,-2.3 -17,-1.9 -19,-0.1 2,-0.4 -0.459 6.4 179.2 -71.6 126.1 62.8 42.1 66.7 27 445 A N E + 0 0 60 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.949 16.6 126.4-134.4 111.8 61.9 41.0 63.2 28 446 A F E -A 6 0A 8 -22,-1.4 -22,-3.3 -2,-0.4 2,-0.4 -0.977 32.5-157.0-156.8 153.3 59.3 38.3 62.4 29 447 A K E -A 5 0A 103 -2,-0.3 2,-0.4 -24,-0.2 -24,-0.2 -0.981 11.0-165.6-121.6 142.3 56.2 37.6 60.3 30 448 A I E -A 4 0A 0 -26,-2.4 -26,-1.8 -2,-0.4 3,-0.1 -0.948 16.4-134.6-132.4 115.9 53.8 34.8 61.1 31 449 A E > - 0 0 75 -2,-0.4 3,-2.0 -28,-0.2 -29,-0.1 -0.083 41.1 -75.3 -57.6 157.7 51.2 33.7 58.6 32 450 A R T 3 S+ 0 0 177 1,-0.3 -1,-0.2 -31,-0.1 -29,-0.1 -0.345 120.0 11.6 -52.2 128.0 47.5 33.0 59.4 33 451 A G T 3 S+ 0 0 18 -31,-0.4 147,-0.3 1,-0.3 -1,-0.3 0.476 99.1 131.1 81.6 3.6 47.1 29.7 61.3 34 452 A Q < - 0 0 49 -3,-2.0 148,-2.1 145,-0.1 2,-0.5 -0.518 51.4-131.1 -91.6 157.5 50.9 29.3 61.9 35 453 A L E -d 182 0B 2 146,-0.2 162,-2.0 -2,-0.2 161,-1.0 -0.934 11.8-161.9-110.9 125.0 52.6 28.5 65.2 36 454 A L E -de 183 197B 0 146,-2.1 148,-2.9 -2,-0.5 2,-0.6 -0.936 7.4-156.0-100.3 120.4 55.6 30.4 66.5 37 455 A A E -de 184 198B 0 160,-2.7 162,-2.5 -2,-0.6 2,-0.6 -0.878 8.5-161.9 -91.1 123.6 57.6 28.6 69.2 38 456 A V E +de 185 199B 0 146,-3.1 148,-2.6 -2,-0.6 2,-0.3 -0.943 16.2 169.5-107.8 116.6 59.5 31.1 71.3 39 457 A A E + e 0 200B 0 160,-2.8 162,-2.5 -2,-0.6 2,-0.2 -0.818 11.3 125.9-117.7 162.9 62.4 29.7 73.3 40 458 A G E - e 0 201B 2 146,-0.3 162,-0.2 -2,-0.3 203,-0.2 -0.819 52.4 -58.9 161.5 163.5 65.1 31.5 75.3 41 459 A S > - 0 0 4 160,-1.0 3,-1.9 -2,-0.2 4,-0.3 -0.006 68.7 -78.8 -53.9 159.8 67.1 32.0 78.5 42 460 A T T 3 S+ 0 0 112 197,-0.3 -1,-0.2 1,-0.3 161,-0.1 -0.499 122.1 14.0 -63.6 123.9 65.5 33.2 81.8 43 461 A G T 3 S+ 0 0 75 -2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.575 85.9 129.1 84.1 10.9 64.9 36.9 81.5 44 462 A A S < S- 0 0 1 -3,-1.9 160,-1.7 157,-0.2 158,-0.2 0.843 84.0-100.0 -64.5 -35.6 65.4 37.0 77.7 45 463 A G S > S+ 0 0 7 -4,-0.3 4,-1.8 156,-0.1 5,-0.1 0.623 77.4 136.6 120.3 28.8 62.2 38.8 77.2 46 464 A K H > S+ 0 0 14 -5,-0.3 4,-1.4 2,-0.2 5,-0.1 0.913 80.7 41.8 -68.7 -47.2 59.7 36.1 76.1 47 465 A T H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.916 114.8 52.7 -62.8 -44.7 56.9 37.4 78.3 48 466 A S H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.817 103.4 56.6 -65.0 -32.7 57.7 41.0 77.4 49 467 A L H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.930 111.3 44.0 -60.5 -46.1 57.5 40.2 73.7 50 468 A L H X S+ 0 0 0 -4,-1.4 4,-1.6 2,-0.2 3,-0.2 0.887 110.1 55.2 -65.8 -41.8 54.0 38.9 74.2 51 469 A M H X>S+ 0 0 40 -4,-2.6 5,-1.7 1,-0.2 4,-1.4 0.916 106.9 52.2 -53.9 -44.6 53.2 41.9 76.4 52 470 A M H <5S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.799 105.5 53.5 -64.4 -33.7 54.3 44.1 73.5 53 471 A I H <5S+ 0 0 4 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.843 109.6 49.2 -68.1 -34.6 52.0 42.3 71.1 54 472 A M H <5S- 0 0 85 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.766 118.4-108.4 -77.2 -27.8 49.0 43.0 73.4 55 473 A G T <5S+ 0 0 63 -4,-1.4 -3,-0.2 2,-0.2 -4,-0.1 0.345 90.2 115.6 108.9 -1.4 49.7 46.7 73.9 56 474 A E S -I 122 0C 17 -2,-0.3 4,-2.2 39,-0.3 39,-0.2 -0.317 51.9-116.3 -76.9 156.8 33.4 25.7 89.6 84 502 A I H > S+ 0 0 2 37,-1.1 4,-1.2 1,-0.2 36,-0.2 0.891 121.0 53.3 -49.9 -43.1 36.0 24.3 87.2 85 503 A K H > S+ 0 0 51 34,-2.1 4,-2.5 1,-0.2 3,-0.2 0.871 107.8 48.9 -62.4 -42.1 33.5 24.9 84.5 86 504 A E H > S+ 0 0 97 33,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.833 108.1 55.2 -67.9 -34.6 33.0 28.6 85.5 87 505 A N H < S+ 0 0 0 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.745 113.9 40.2 -68.1 -27.4 36.8 29.0 85.5 88 506 A I H < S+ 0 0 1 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.1 0.889 121.1 40.8 -87.8 -47.0 37.1 27.8 81.9 89 507 A I H >< S+ 0 0 24 -4,-2.5 3,-0.9 -5,-0.1 -3,-0.2 0.959 83.0 173.5 -63.5 -54.7 34.0 29.6 80.5 90 508 A F T 3< S- 0 0 83 -4,-2.4 -3,-0.1 1,-0.3 3,-0.1 0.899 73.9 -32.6 46.4 68.0 34.8 32.7 82.6 91 509 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -5,-0.2 -1,-0.3 0.523 111.6 120.6 73.7 6.3 32.2 35.3 81.4 92 510 A V S < S- 0 0 52 -3,-0.9 -1,-0.2 1,-0.1 54,-0.0 -0.798 75.6 -87.8-104.6 146.0 32.2 33.8 77.8 93 511 A S - 0 0 106 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 -0.198 49.0-114.2 -49.1 131.3 29.1 32.4 76.0 94 512 A Y + 0 0 106 4,-0.0 2,-0.4 -3,-0.0 -1,-0.1 -0.565 37.4 171.4 -76.6 129.0 28.6 28.7 76.8 95 513 A D > - 0 0 74 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.945 21.8-154.9-136.4 116.7 29.0 26.2 73.9 96 514 A E H > S+ 0 0 112 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.801 93.8 47.2 -61.2 -35.4 29.0 22.5 74.9 97 515 A Y H > S+ 0 0 175 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.864 114.2 46.1 -76.1 -38.4 31.0 21.3 71.9 98 516 A R H > S+ 0 0 69 2,-0.2 4,-1.8 3,-0.1 -2,-0.2 0.924 115.7 47.0 -67.6 -45.7 33.7 23.9 72.2 99 517 A Y H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.953 112.9 48.0 -59.0 -54.8 34.0 23.4 76.0 100 518 A R H X S+ 0 0 114 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.900 112.6 47.6 -54.7 -47.8 34.1 19.6 75.7 101 519 A S H X S+ 0 0 47 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.849 113.7 49.5 -65.9 -32.4 36.8 19.6 72.9 102 520 A V H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.944 111.5 46.2 -69.9 -47.3 38.8 22.1 74.9 103 521 A I H <>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 6,-0.8 0.755 114.4 50.1 -70.4 -23.7 38.7 20.2 78.2 104 522 A K H ><5S+ 0 0 96 -4,-1.7 3,-1.5 -5,-0.3 -1,-0.2 0.916 111.7 46.7 -73.5 -48.9 39.6 17.0 76.3 105 523 A A H 3<5S+ 0 0 3 -4,-2.1 67,-0.4 1,-0.3 66,-0.3 0.873 109.3 54.3 -63.8 -37.9 42.5 18.6 74.5 106 524 A C T 3<5S- 0 0 0 -4,-2.5 -1,-0.3 65,-0.1 -2,-0.2 0.313 114.5-117.7 -80.6 8.3 43.9 20.1 77.7 107 525 A Q T < 5S+ 0 0 42 -3,-1.5 4,-0.5 60,-0.1 -3,-0.2 0.801 76.5 128.3 61.1 36.1 43.8 16.6 79.3 108 526 A L >< + 0 0 2 -5,-2.5 4,-3.0 -6,-0.2 5,-0.2 0.594 44.2 85.2 -96.7 -13.1 41.3 17.6 82.0 109 527 A E H > S+ 0 0 74 -6,-0.8 4,-2.0 1,-0.2 -1,-0.1 0.891 93.0 46.2 -58.0 -44.5 38.8 14.8 81.4 110 528 A E H > S+ 0 0 140 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.941 115.4 46.9 -61.0 -49.8 40.7 12.4 83.7 111 529 A D H >4 S+ 0 0 21 -4,-0.5 3,-0.8 1,-0.2 4,-0.2 0.901 112.7 49.1 -57.2 -47.1 41.1 15.1 86.4 112 530 A I H >< S+ 0 0 8 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.882 106.6 55.1 -62.6 -41.6 37.4 16.2 86.2 113 531 A S H 3< S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.566 89.2 76.9 -75.4 -9.5 36.1 12.6 86.5 114 532 A K T << S+ 0 0 123 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.3 0.666 90.4 74.2 -63.6 -19.2 38.1 12.2 89.7 115 533 A F S X S- 0 0 37 -3,-1.7 3,-0.8 -4,-0.2 4,-0.1 -0.778 75.7-141.7-107.9 143.8 35.3 14.2 91.3 116 534 A A T 3 S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.894 110.5 43.1 -64.6 -42.6 31.7 13.3 92.1 117 535 A E T > S- 0 0 111 1,-0.3 3,-2.4 2,-0.0 -1,-0.2 0.348 98.9-158.6 -82.1 4.1 30.4 16.7 91.0 118 536 A K G X - 0 0 122 -3,-0.8 3,-1.0 1,-0.3 -1,-0.3 -0.259 69.7 -8.9 49.3-127.3 32.7 16.5 88.0 119 537 A D G 3 S+ 0 0 13 1,-0.3 -34,-2.1 -3,-0.1 -33,-0.3 0.400 127.5 74.8 -81.1 5.3 33.3 20.0 86.6 120 538 A N G < + 0 0 87 -3,-2.4 2,-0.4 -37,-0.2 -1,-0.3 0.187 66.6 122.1 -98.6 14.7 30.7 21.5 88.9 121 539 A I < - 0 0 23 -3,-1.0 -37,-1.1 -9,-0.1 2,-0.5 -0.651 66.6-123.2 -76.6 129.6 33.0 21.1 91.9 122 540 A V E -I 83 0C 77 -2,-0.4 6,-1.5 -39,-0.2 2,-0.3 -0.645 24.1-158.5 -79.3 123.4 33.6 24.5 93.6 123 541 A L E +Ij 82 128C 2 -41,-2.9 -41,-1.9 -2,-0.5 2,-0.3 -0.788 44.6 54.7 -96.4 144.8 37.3 25.5 93.8 124 542 A G S S- 0 0 27 4,-1.7 -44,-0.0 -2,-0.3 -2,-0.0 -0.981 93.4 -11.8 144.5-150.1 38.4 28.0 96.4 125 543 A E S S+ 0 0 198 -2,-0.3 -1,-0.2 1,-0.2 4,-0.0 0.908 137.3 17.5 -61.6 -51.5 38.6 29.1 100.1 126 544 A G S S+ 0 0 72 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.714 125.1 61.3 -91.6 -25.2 36.0 26.6 101.5 127 545 A G S S- 0 0 49 1,-0.2 2,-0.2 -6,-0.0 -4,-0.2 0.626 97.7 -50.9 -77.4-133.3 36.1 24.2 98.5 128 546 A I B -j 123 0C 61 -6,-1.5 -4,-1.7 0, 0.0 2,-0.5 -0.717 37.4-138.9-111.7 160.0 38.9 22.1 97.0 129 547 A T - 0 0 115 -2,-0.2 2,-0.1 -6,-0.2 -6,-0.0 -0.984 16.0-151.2-121.7 124.5 42.5 22.9 95.9 130 548 A L - 0 0 12 -2,-0.5 2,-0.1 1,-0.1 -7,-0.0 -0.445 30.0 -93.4 -83.2 162.5 44.0 21.4 92.7 131 549 A S > - 0 0 68 -2,-0.1 4,-2.4 1,-0.1 3,-0.5 -0.426 39.3-108.7 -66.7 151.7 47.6 20.7 92.0 132 550 A E H > S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.797 122.6 58.5 -54.1 -28.9 49.5 23.4 90.3 133 551 A G H > S+ 0 0 13 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.916 106.6 43.6 -64.8 -48.2 49.5 21.0 87.3 134 552 A Q H > S+ 0 0 33 -3,-0.5 4,-1.8 1,-0.2 -2,-0.2 0.855 112.6 54.3 -65.8 -36.0 45.7 20.8 87.2 135 553 A Q H X S+ 0 0 42 -4,-2.4 4,-1.8 1,-0.2 -57,-0.4 0.791 105.6 53.3 -67.4 -31.4 45.5 24.6 87.7 136 554 A A H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -1,-0.2 0.889 107.4 50.7 -68.5 -40.9 47.8 25.1 84.7 137 555 A K H X S+ 0 0 16 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.878 111.6 48.0 -63.5 -41.7 45.5 22.9 82.5 138 556 A I H X S+ 0 0 1 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.883 110.8 51.8 -64.1 -42.1 42.5 25.0 83.6 139 557 A S H X S+ 0 0 5 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.901 112.5 44.1 -64.7 -43.6 44.4 28.3 82.9 140 558 A L H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.941 113.4 51.9 -65.1 -46.6 45.3 27.2 79.4 141 559 A A H X S+ 0 0 0 -4,-2.5 4,-3.3 1,-0.2 5,-0.3 0.920 108.0 52.2 -53.5 -47.9 41.7 25.9 78.8 142 560 A R H X S+ 0 0 16 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.914 113.1 43.7 -54.8 -47.5 40.4 29.3 79.9 143 561 A A H < S+ 0 0 4 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.6 45.6 -68.3 -33.8 42.6 31.1 77.4 144 562 A V H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.837 107.3 56.4 -80.4 -34.9 41.9 28.6 74.6 145 563 A Y H < S+ 0 0 1 -4,-3.3 2,-0.3 -5,-0.2 -2,-0.2 0.864 90.8 87.2 -63.9 -37.3 38.1 28.5 75.2 146 564 A K S < S- 0 0 89 -4,-1.4 2,-0.3 -5,-0.3 -75,-0.1 -0.485 88.6-122.2 -63.2 126.2 38.0 32.3 74.7 147 565 A D + 0 0 70 -2,-0.3 2,-0.3 -77,-0.0 -2,-0.1 -0.570 46.5 148.1 -79.8 134.8 37.7 33.0 71.0 148 566 A A - 0 0 3 -2,-0.3 -78,-0.2 -4,-0.1 3,-0.1 -0.978 54.2-127.4-157.1 160.7 40.4 35.2 69.4 149 567 A D S S+ 0 0 28 -80,-2.2 32,-1.0 -2,-0.3 -147,-1.0 0.822 101.7 34.0 -76.2 -34.3 42.3 35.8 66.1 150 568 A L E -fg 70 181B 0 -81,-1.8 -79,-2.5 -149,-0.2 2,-0.6 -0.984 68.8-155.9-135.4 126.5 45.7 35.4 68.0 151 569 A Y E -fg 71 182B 2 30,-2.3 32,-3.0 -2,-0.4 2,-0.9 -0.879 1.9-165.4-109.8 112.8 46.7 33.2 70.9 152 570 A L E -fg 72 183B 0 -81,-2.9 -79,-3.2 -2,-0.6 2,-0.9 -0.838 10.3-173.1 -97.7 102.3 49.6 34.2 73.1 153 571 A L E +fg 73 184B 0 30,-3.1 32,-2.6 -2,-0.9 2,-1.9 -0.773 17.1 175.2-102.4 88.4 50.5 31.2 75.1 154 572 A D - 0 0 1 -81,-2.2 30,-0.1 -2,-0.9 32,-0.1 -0.591 42.8-141.5 -82.7 72.3 53.1 32.1 77.7 155 573 A S - 0 0 8 -2,-1.9 -80,-0.2 30,-0.5 -2,-0.1 -0.017 22.2-146.2 -57.0 133.5 52.5 28.5 78.8 156 574 A P S > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 2,-0.4 0.768 91.8 78.5 -63.9 -27.4 52.5 27.6 82.6 157 575 A F T 3 S+ 0 0 5 1,-0.2 4,-0.1 2,-0.2 30,-0.1 -0.726 75.4 62.4 -77.2 133.9 54.1 24.3 81.3 158 576 A G T 3 S+ 0 0 2 2,-0.8 -1,-0.2 -2,-0.4 81,-0.1 0.053 110.4 43.2 121.6 -18.6 57.7 25.2 80.7 159 577 A Y S < S+ 0 0 92 -3,-1.1 2,-0.3 -84,-0.1 -2,-0.2 0.217 113.6 62.5-132.1 0.9 58.1 26.0 84.4 160 578 A L S S- 0 0 24 -4,-0.2 -2,-0.8 75,-0.1 2,-0.7 -0.906 72.8-136.5-123.1 154.5 56.2 23.0 85.5 161 579 A D + 0 0 102 -2,-0.3 2,-0.5 -4,-0.1 -28,-0.1 -0.891 32.8 173.1-108.9 96.2 56.7 19.2 85.2 162 580 A V > - 0 0 24 -2,-0.7 3,-2.0 1,-0.1 4,-0.3 -0.938 32.2-139.5-111.1 123.4 53.3 17.9 84.2 163 581 A L T 3 S+ 0 0 179 -2,-0.5 3,-0.2 1,-0.3 -1,-0.1 0.695 100.7 43.0 -50.0 -27.9 53.1 14.2 83.3 164 582 A T T 3> S+ 0 0 31 1,-0.2 4,-1.2 2,-0.1 -1,-0.3 0.064 75.6 111.7-114.3 22.1 50.6 14.8 80.5 165 583 A E H <> S+ 0 0 10 -3,-2.0 4,-2.3 1,-0.2 5,-0.2 0.826 73.3 59.9 -68.3 -35.0 52.1 17.9 78.8 166 584 A K H > S+ 0 0 92 -4,-0.3 4,-2.2 -3,-0.2 -1,-0.2 0.915 106.2 49.0 -59.3 -41.9 53.1 16.1 75.6 167 585 A E H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.800 108.6 53.4 -66.6 -33.5 49.4 15.2 75.1 168 586 A I H X>S+ 0 0 5 -4,-1.2 4,-2.4 2,-0.2 5,-1.1 0.921 111.1 45.8 -66.5 -44.7 48.4 18.8 75.7 169 587 A F H <>S+ 0 0 4 -4,-2.3 5,-1.9 3,-0.2 -2,-0.2 0.894 117.4 42.6 -67.8 -42.7 50.8 20.1 73.0 170 588 A E H <>S+ 0 0 49 -4,-2.2 5,-0.9 -5,-0.2 -1,-0.2 0.905 124.4 33.9 -69.2 -44.5 49.8 17.5 70.5 171 589 A S H <>S+ 0 0 28 -4,-2.1 5,-2.4 -66,-0.3 -2,-0.2 0.866 131.4 24.2 -83.3 -40.3 46.0 17.6 71.0 172 590 A C I <>S+ 0 0 0 -4,-2.4 5,-2.2 -67,-0.4 -3,-0.2 0.943 128.4 32.6 -90.7 -70.2 45.5 21.3 71.9 173 591 A V I - 0 0 30 1,-0.1 4,-1.0 43,-0.0 3,-0.1 -0.863 62.8-148.3-108.6 141.0 60.8 21.8 74.9 189 607 A M H > S+ 0 0 16 -2,-0.4 4,-1.9 1,-0.2 5,-0.1 0.764 97.2 61.6 -77.8 -29.1 62.6 20.7 71.7 190 608 A E H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.847 103.0 53.4 -61.1 -35.7 59.7 18.7 70.3 191 609 A H H > S+ 0 0 4 2,-0.2 4,-0.5 1,-0.2 -2,-0.2 0.874 108.8 47.5 -69.1 -40.1 57.7 21.9 70.3 192 610 A L H < S+ 0 0 2 -4,-1.0 20,-0.3 1,-0.2 3,-0.3 0.844 111.2 52.5 -65.7 -36.8 60.4 23.7 68.3 193 611 A K H < S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.848 113.0 42.7 -67.7 -38.4 60.5 20.8 65.8 194 612 A K H < S+ 0 0 113 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.464 95.8 102.2 -89.3 -5.0 56.7 20.8 65.2 195 613 A A S < S- 0 0 14 -4,-0.5 17,-0.3 -3,-0.3 -159,-0.1 -0.466 70.2-138.6 -78.0 152.3 56.5 24.6 65.0 196 614 A D S S+ 0 0 65 -161,-1.0 2,-0.3 1,-0.3 -160,-0.2 0.859 92.1 10.2 -71.0 -41.2 56.2 26.5 61.7 197 615 A K E -e 36 0B 60 -162,-2.0 -160,-2.7 14,-0.1 2,-0.3 -0.981 69.9-157.2-138.0 150.3 58.6 29.1 62.9 198 616 A I E -eH 37 210B 0 12,-3.3 12,-2.0 -2,-0.3 2,-0.4 -0.948 0.4-161.9-128.3 151.0 60.9 29.3 66.0 199 617 A L E -eH 38 209B 2 -162,-2.5 -160,-2.8 -2,-0.3 2,-0.6 -0.988 3.6-160.5-134.1 120.3 62.4 32.3 67.8 200 618 A I E -eH 39 208B 3 8,-2.5 7,-2.8 -2,-0.4 8,-1.0 -0.914 15.8-168.9-105.2 115.4 65.4 32.0 70.1 201 619 A L E +eH 40 206B 0 -162,-2.5 -160,-1.0 -2,-0.6 2,-0.3 -0.802 12.5 168.4-106.6 140.5 65.6 35.1 72.4 202 620 A H E > - H 0 205B 6 3,-2.6 3,-2.7 -2,-0.4 -158,-0.1 -0.942 69.5 -14.6-153.0 130.6 68.6 36.0 74.7 203 621 A E T 3 S- 0 0 141 -2,-0.3 -159,-0.1 1,-0.3 -158,-0.1 0.845 128.9 -50.1 42.3 47.7 69.2 39.3 76.6 204 622 A G T 3 S+ 0 0 3 -160,-1.7 -180,-3.2 1,-0.2 -1,-0.3 0.256 118.9 105.1 83.7 -11.6 66.6 41.1 74.5 205 623 A S E < S-cH 24 202B 36 -3,-2.7 -3,-2.6 -182,-0.2 2,-0.8 -0.698 72.4-120.9-107.1 153.4 67.9 39.9 71.1 206 624 A S E + H 0 201B 44 -182,-0.5 -5,-0.2 -2,-0.3 3,-0.1 -0.829 26.4 178.0 -89.7 108.9 66.8 37.3 68.6 207 625 A Y E S+ 0 0 71 -7,-2.8 2,-0.3 -2,-0.8 -6,-0.2 0.581 72.8 12.1 -88.3 -12.0 69.7 34.8 68.2 208 626 A F E + H 0 200B 11 -8,-1.0 -8,-2.5 -3,-0.1 2,-0.4 -0.890 57.6 176.9-161.4 134.9 67.7 32.8 65.7 209 627 A Y E + H 0 199B 65 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.958 50.5 51.8-138.2 126.2 64.5 33.2 63.7 210 628 A G E S- H 0 198B 1 -12,-2.0 -12,-3.3 -2,-0.4 2,-0.1 -0.989 85.7 -27.8 154.6-149.7 63.3 30.5 61.2 211 629 A T > - 0 0 43 -2,-0.3 4,-2.1 -14,-0.2 5,-0.1 -0.476 51.6-110.9 -98.4 168.5 62.6 26.8 61.1 212 630 A F H > S+ 0 0 26 -17,-0.3 4,-2.9 -20,-0.3 5,-0.2 0.889 119.6 54.8 -62.2 -41.9 64.0 23.9 63.1 213 631 A S H > S+ 0 0 87 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 108.7 47.4 -54.5 -50.1 65.8 22.6 59.9 214 632 A E H > S+ 0 0 104 2,-0.2 4,-3.8 1,-0.2 5,-0.3 0.878 112.2 50.8 -61.3 -40.4 67.5 26.0 59.5 215 633 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 8,-0.3 0.942 110.5 47.7 -60.9 -50.2 68.5 26.0 63.1 216 634 A Q H < S+ 0 0 90 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 121.4 38.7 -61.0 -35.2 70.0 22.5 62.9 217 635 A N H < S+ 0 0 137 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.901 119.1 42.3 -80.4 -46.7 71.8 23.6 59.7 218 636 A L H < S+ 0 0 118 -4,-3.8 -3,-0.2 1,-0.3 -2,-0.2 0.819 129.7 24.8 -75.6 -32.0 72.9 27.1 60.5 219 637 A Q X + 0 0 36 -4,-2.2 4,-1.8 -5,-0.3 -1,-0.3 -0.655 68.4 159.6-135.0 74.9 74.0 26.4 64.1 220 638 A P H > S+ 0 0 73 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.860 75.8 51.9 -69.0 -40.2 74.9 22.7 64.4 221 639 A D H > S+ 0 0 138 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.885 113.9 45.9 -62.0 -41.6 77.1 22.9 67.6 222 640 A F H > S+ 0 0 17 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.885 114.4 49.8 -62.3 -42.3 74.2 24.8 69.3 223 641 A S H >X S+ 0 0 3 -4,-1.8 4,-3.8 -8,-0.3 3,-1.1 0.922 107.0 51.5 -66.1 -47.3 71.8 22.1 67.9 224 642 A S H 3< S+ 0 0 90 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.729 106.1 57.0 -65.0 -24.1 73.8 19.1 69.1 225 643 A K H 3< S+ 0 0 114 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.726 122.9 24.0 -78.4 -23.0 74.0 20.5 72.6 226 644 A L H << 0 0 2 -3,-1.1 -2,-0.2 -4,-0.7 4,-0.2 0.616 360.0 360.0-118.0 -21.2 70.2 20.7 72.8 227 645 A M < 0 0 73 -4,-3.8 -3,-0.1 -5,-0.1 3,-0.1 0.131 360.0 360.0-126.1 360.0 68.9 18.1 70.2 228 ! 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 0.0 229 649 A S > 0 0 119 0, 0.0 3,-0.9 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 2.1 66.4 13.0 75.4 230 650 A F G > + 0 0 15 1,-0.2 3,-1.3 -4,-0.2 -3,-0.1 0.842 360.0 60.1 -64.9 -36.1 66.7 16.7 76.3 231 651 A D G 3 S+ 0 0 33 1,-0.3 -1,-0.2 -43,-0.0 7,-0.1 0.569 92.4 67.4 -72.7 -9.8 62.9 16.9 76.7 232 652 A Q G < S+ 0 0 170 -3,-0.9 -1,-0.3 2,-0.1 -2,-0.2 0.620 82.9 93.0 -84.2 -15.9 63.1 14.2 79.5 233 653 A F S < S- 0 0 92 -3,-1.3 2,-0.1 -4,-0.3 -3,-0.0 -0.356 90.8 -92.3 -69.9 158.0 64.9 16.7 81.7 234 654 A S > - 0 0 47 1,-0.1 4,-3.1 -2,-0.1 3,-0.4 -0.353 32.9-110.0 -70.9 153.6 62.8 18.8 84.2 235 655 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 121.3 50.3 -46.5 -49.7 61.6 22.3 83.1 236 656 A E H > S+ 0 0 154 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.852 113.5 45.5 -59.3 -39.7 64.1 23.9 85.6 237 657 A R H > S+ 0 0 122 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.902 111.2 51.1 -71.8 -44.9 66.9 21.8 84.2 238 658 A R H X S+ 0 0 4 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.887 110.2 50.3 -59.7 -41.6 66.0 22.5 80.5 239 659 A N H X S+ 0 0 24 -4,-2.3 4,-2.2 -5,-0.3 -197,-0.3 0.815 110.0 51.8 -66.6 -32.3 65.9 26.2 81.2 240 660 A S H X S+ 0 0 52 -4,-1.1 4,-3.7 2,-0.2 -2,-0.2 0.955 110.0 46.4 -66.8 -54.4 69.3 26.0 82.8 241 661 A I H X S+ 0 0 20 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.901 114.3 50.0 -54.7 -44.9 71.0 24.2 79.9 242 662 A L H X S+ 0 0 1 -4,-2.4 4,-3.0 2,-0.2 -201,-0.2 0.929 114.0 44.4 -57.5 -49.1 69.3 26.7 77.5 243 663 A T H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.955 114.5 48.8 -61.0 -52.9 70.6 29.6 79.6 244 664 A E H < S+ 0 0 103 -4,-3.7 4,-0.3 1,-0.2 -2,-0.2 0.918 115.8 44.5 -51.8 -49.4 74.1 28.1 80.0 245 665 A T H >< S+ 0 0 10 -4,-3.0 3,-1.3 1,-0.2 4,-0.3 0.903 112.2 49.9 -64.8 -46.8 74.2 27.4 76.2 246 666 A L H >< S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 -1,-0.2 0.817 101.3 64.9 -62.5 -30.4 72.9 30.9 75.2 247 667 A R T 3< S+ 0 0 155 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.615 86.0 72.0 -69.4 -12.8 75.5 32.5 77.5 248 668 A R T < S+ 0 0 157 -3,-1.3 2,-2.1 -4,-0.3 -1,-0.3 0.733 73.2 91.6 -72.7 -23.7 78.2 31.1 75.3 249 669 A F S < S+ 0 0 72 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 -0.540 74.9 79.9 -70.1 78.2 77.1 33.7 72.6 250 670 A S S S- 0 0 62 -2,-2.1 -3,-0.0 2,-0.2 0, 0.0 -0.952 98.4 -87.9-170.0 173.0 79.6 36.4 73.9 251 671 A L S S+ 0 0 176 -2,-0.3 -2,-0.1 0, 0.0 -3,-0.1 0.489 118.7 21.5 -77.8 -1.8 83.3 37.3 73.6 252 672 A E - 0 0 152 -4,-0.0 -2,-0.2 2,-0.0 -4,-0.0 0.210 68.2-171.9-120.0-105.8 84.1 35.1 76.6 253 673 A G - 0 0 33 -4,-0.1 -5,-0.1 -2,-0.0 -3,-0.0 0.567 32.8-114.5 99.1 103.9 81.9 32.2 77.8 254 674 A D - 0 0 142 -7,-0.1 -2,-0.0 1,-0.0 -7,-0.0 0.214 24.1 -95.5 -70.4-176.2 82.9 30.7 81.1 255 675 A A 0 0 96 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.971 360.0 360.0 -66.2 -64.7 84.3 27.2 82.0 256 676 A P 0 0 136 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.753 360.0 360.0 -58.8 360.0 81.5 24.9 83.2