==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUL-03 1Q3I . COMPND 2 MOLECULE: NA,K-ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR K.O.HAKANSSON . 192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 24.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 2 1.0 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 . 1 0.5 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 . 15 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.1 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 0 2 0 0 0 0 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 3 1 1 2 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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 378 A M 0 0 136 0, 0.0 2,-0.1 0, 0.0 187,-0.1 0.000 360.0 360.0 360.0 122.0 27.9 10.7 -16.4 2 379 A M + 0 0 16 51,-0.1 2,-0.3 185,-0.1 187,-0.2 -0.433 360.0 174.0 -77.9 148.7 28.7 13.3 -13.7 3 380 A T E -A 188 0A 48 185,-0.9 185,-2.4 -2,-0.1 2,-0.3 -0.956 38.6-110.0-153.5 131.5 30.4 16.6 -14.3 4 381 A V E +A 187 0A 16 53,-0.3 183,-0.3 -2,-0.3 3,-0.1 -0.515 39.1 173.3 -65.6 123.0 31.0 19.4 -11.7 5 382 A A E - 0 0 18 181,-3.2 11,-2.5 -2,-0.3 2,-0.3 0.821 56.6 -2.7-100.9 -43.7 28.7 22.2 -12.7 6 383 A H E -AB 186 15A 27 180,-1.9 180,-2.1 9,-0.2 2,-0.3 -0.895 54.9-166.1-143.6 174.1 29.0 24.7 -9.9 7 384 A M E -AB 185 14A 0 7,-1.4 7,-2.6 -2,-0.3 2,-0.5 -0.981 14.7-135.7-161.9 153.4 30.7 25.4 -6.6 8 385 A W E +AB 184 13A 8 176,-1.3 176,-2.1 -2,-0.3 2,-0.3 -0.966 41.2 126.1-120.5 124.3 30.5 27.7 -3.7 9 386 A F E > + B 0 12A 2 3,-1.7 3,-1.4 -2,-0.5 174,-0.1 -0.964 59.5 35.3-165.2 163.3 33.5 29.3 -2.0 10 387 A D T 3 S- 0 0 18 108,-0.6 109,-0.1 172,-0.4 -1,-0.1 0.873 128.8 -70.5 50.2 36.8 34.8 32.7 -1.0 11 388 A N T 3 S+ 0 0 79 1,-0.1 2,-0.3 -3,-0.1 -1,-0.3 0.821 113.7 101.5 51.8 43.5 31.1 33.4 -0.4 12 389 A Q E < S-B 9 0A 124 -3,-1.4 -3,-1.7 2,-0.0 2,-0.3 -0.992 72.8-116.2-154.5 141.9 30.2 33.4 -4.1 13 390 A I E -B 8 0A 30 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.614 35.8-160.0 -79.1 139.8 28.6 30.9 -6.6 14 391 A H E -B 7 0A 20 -7,-2.6 -7,-1.4 -2,-0.3 2,-0.4 -0.947 15.2-131.5-126.0 147.1 31.0 29.8 -9.4 15 392 A E E -B 6 0A 94 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.741 25.7-129.0 -91.7 135.3 30.5 28.4 -12.8 16 393 A A - 0 0 17 -11,-2.5 2,-1.0 -2,-0.4 6,-0.1 -0.633 31.1-104.6 -82.4 145.1 32.6 25.4 -13.6 17 394 A D - 0 0 97 -2,-0.3 -1,-0.1 1,-0.2 -13,-0.1 -0.601 36.2-174.2 -72.0 105.4 34.5 25.7 -16.9 18 395 A T 0 0 120 -2,-1.0 177,-0.3 -13,-0.1 -1,-0.2 0.523 360.0 360.0 -79.3 -5.0 32.5 23.3 -19.1 19 396 A T 0 0 105 175,-0.1 -2,-0.1 -3,-0.0 175,-0.0 -0.539 360.0 360.0 -76.2 360.0 35.0 23.8 -22.0 20 ! 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 21 403 A T 0 0 6 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 168.0 35.9 27.6 -11.1 22 404 A F + 0 0 127 1,-0.4 2,-0.7 -6,-0.1 -8,-0.1 0.762 360.0 22.3-104.6 -84.9 36.3 31.2 -12.1 23 405 A D - 0 0 90 1,-0.1 -1,-0.4 2,-0.0 3,-0.3 -0.804 61.5-171.4 -89.1 118.3 39.2 33.1 -10.6 24 406 A K + 0 0 83 -2,-0.7 -1,-0.1 1,-0.2 6,-0.1 0.569 64.7 93.2 -83.0 -11.2 41.7 30.5 -9.4 25 407 A R + 0 0 192 4,-0.1 -1,-0.2 3,-0.1 5,-0.1 0.910 60.3 96.4 -47.3 -53.5 43.8 33.1 -7.6 26 408 A S S >> S- 0 0 4 -3,-0.3 4,-0.9 1,-0.2 3,-0.7 -0.043 72.2-141.1 -45.5 129.4 42.1 32.6 -4.3 27 409 A P H 3> S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.747 101.8 70.3 -64.6 -21.6 44.0 30.2 -1.9 28 410 A T H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 97.7 48.0 -60.5 -42.9 40.5 29.0 -1.0 29 411 A W H <> S+ 0 0 9 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.793 105.7 60.0 -66.9 -27.2 40.3 27.4 -4.5 30 412 A T H X S+ 0 0 73 -4,-0.9 4,-1.6 2,-0.2 -1,-0.2 0.932 110.3 40.3 -65.4 -44.4 43.7 25.9 -3.9 31 413 A A H X S+ 0 0 8 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.932 114.8 50.0 -69.7 -48.7 42.5 24.0 -0.8 32 414 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.944 109.5 53.6 -54.4 -49.5 39.1 23.0 -2.3 33 415 A S H X S+ 0 0 8 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.897 111.7 44.6 -51.8 -46.3 41.0 21.8 -5.4 34 416 A R H X S+ 0 0 27 -4,-1.6 4,-3.5 2,-0.2 5,-0.5 0.912 111.9 51.4 -67.0 -44.5 43.2 19.6 -3.2 35 417 A I H X S+ 0 0 0 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.876 112.1 48.4 -60.5 -36.7 40.3 18.3 -1.1 36 418 A A H < S+ 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.781 118.3 39.8 -75.1 -27.1 38.5 17.4 -4.3 37 419 A G H < S+ 0 0 0 -4,-1.4 3,-0.3 -5,-0.3 -2,-0.2 0.889 122.7 35.6 -89.2 -40.9 41.6 15.6 -5.7 38 420 A L H < S+ 0 0 2 -4,-3.5 2,-3.5 1,-0.2 -3,-0.2 0.925 108.2 60.0 -79.2 -50.3 43.0 13.9 -2.6 39 421 A C S < S+ 0 0 6 -4,-1.1 2,-0.3 -5,-0.5 -1,-0.2 -0.245 97.3 98.4 -74.0 54.6 39.8 12.9 -0.7 40 422 A N - 0 0 7 -2,-3.5 2,-0.7 -3,-0.3 -4,-0.0 -0.920 56.1-167.3-152.6 119.7 39.1 11.0 -4.0 41 424 A R + 0 0 133 -2,-0.3 11,-0.4 2,-0.0 2,-0.2 -0.928 53.9 101.3-103.4 108.0 39.6 7.3 -5.0 42 425 A A + 0 0 6 -2,-0.7 2,-0.3 9,-0.1 9,-0.2 -0.641 37.4 178.0 171.6 130.8 39.2 7.3 -8.8 43 426 A V 0 0 87 7,-1.4 7,-0.2 -2,-0.2 16,-0.0 -0.795 360.0 360.0-133.8 174.0 41.4 7.2 -11.8 44 427 A F 0 0 81 -2,-0.3 5,-0.3 5,-0.1 6,-0.1 -0.529 360.0 360.0 -80.4 360.0 40.8 7.1 -15.6 45 ! 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 46 437 A K 0 0 83 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 108.7 35.7 13.7 -19.5 47 438 A R - 0 0 159 1,-0.1 2,-0.5 0, 0.0 13,-0.1 -0.181 360.0 -34.3-118.7-150.4 37.0 10.2 -20.2 48 439 A D - 0 0 134 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.677 64.1-152.6 -80.4 120.4 36.7 6.6 -19.0 49 440 A T - 0 0 68 -2,-0.5 2,-0.1 -5,-0.3 -5,-0.1 -0.235 21.3-168.5 -89.8 179.9 36.2 6.5 -15.3 50 441 A A + 0 0 55 -7,-0.2 -7,-1.4 2,-0.2 2,-0.3 -0.602 65.1 38.5-169.5 93.8 37.0 4.0 -12.5 51 442 A G S S- 0 0 46 -9,-0.2 -9,-0.1 -2,-0.1 -2,-0.1 -0.843 101.6 -37.7 144.7-177.6 35.3 4.9 -9.2 52 443 A D > - 0 0 80 -11,-0.4 4,-1.7 -2,-0.3 -2,-0.2 -0.363 61.3-104.1 -77.1 159.0 32.0 6.2 -8.2 53 444 A A H > S+ 0 0 43 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.876 114.9 47.8 -41.7 -60.9 30.2 9.0 -10.2 54 445 A S H > S+ 0 0 7 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.930 114.6 43.9 -52.6 -54.5 30.9 11.9 -8.0 55 446 A E H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.769 110.6 59.0 -65.6 -22.2 34.6 11.3 -7.5 56 447 A S H X S+ 0 0 4 -4,-1.7 4,-2.3 -3,-0.3 -2,-0.2 0.970 109.6 41.9 -67.8 -53.1 34.7 10.6 -11.3 57 448 A A H X S+ 0 0 1 -4,-2.6 4,-3.4 2,-0.2 -53,-0.3 0.930 115.1 50.5 -58.3 -49.9 33.4 14.1 -11.9 58 449 A L H X S+ 0 0 0 -4,-2.9 4,-3.3 1,-0.2 5,-0.4 0.950 109.4 51.0 -54.5 -51.6 35.6 15.6 -9.3 59 450 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.893 113.2 46.1 -53.0 -42.7 38.7 13.9 -10.7 60 451 A K H X S+ 0 0 14 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.934 113.2 49.4 -67.2 -45.6 37.8 15.2 -14.1 61 452 A C H X S+ 0 0 13 -4,-3.4 4,-3.0 1,-0.2 5,-0.2 0.956 115.7 41.0 -58.4 -54.2 37.1 18.7 -12.8 62 453 A I H X>S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 5,-0.9 0.847 112.8 55.7 -64.6 -35.1 40.4 18.9 -10.9 63 454 A E H X5S+ 0 0 51 -4,-2.2 4,-1.3 -5,-0.4 -1,-0.2 0.947 116.0 37.0 -61.4 -48.8 42.3 17.2 -13.7 64 455 A L H <5S+ 0 0 121 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.883 123.4 42.2 -69.7 -42.8 41.1 19.9 -16.2 65 456 A S H <5S+ 0 0 28 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.2 0.823 133.9 13.3 -77.5 -32.1 41.3 22.8 -13.8 66 457 A C H <5S- 0 0 62 -4,-2.8 -3,-0.2 1,-0.3 2,-0.2 0.598 100.7-118.4-122.4 -15.8 44.5 22.1 -12.0 67 458 A G S < - 0 0 51 1,-0.2 4,-0.9 -2,-0.2 -5,-0.1 0.021 47.9-178.0 -33.3 111.1 47.6 16.0 -13.1 69 460 A V H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.659 85.4 66.7 -86.4 -19.0 45.7 14.9 -10.0 70 461 A R H > S+ 0 0 145 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.966 105.5 40.6 -60.8 -51.2 47.8 11.7 -10.3 71 462 A K H > S+ 0 0 147 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.797 110.8 58.1 -69.3 -27.7 50.8 13.9 -9.5 72 463 A M H < S+ 0 0 29 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.921 107.3 47.4 -67.5 -40.4 48.8 15.8 -6.8 73 464 A R H >< S+ 0 0 51 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.763 106.0 62.6 -69.5 -25.5 48.2 12.5 -5.0 74 465 A D H 3< S+ 0 0 83 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.889 106.1 39.8 -68.5 -42.9 51.9 11.7 -5.4 75 466 A R T 3< S+ 0 0 183 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.267 113.2 57.3 -94.5 15.3 53.3 14.6 -3.3 76 467 A N S < S- 0 0 0 -3,-0.6 -1,-0.2 -4,-0.2 16,-0.1 -0.330 88.6-151.6-135.3 51.0 50.5 14.4 -0.7 77 468 A P - 0 0 49 0, 0.0 14,-1.3 0, 0.0 2,-0.3 0.216 15.5-119.7 -25.7 126.1 51.0 10.7 0.4 78 469 A K E +C 90 0A 87 12,-0.2 12,-0.2 -5,-0.2 3,-0.1 -0.596 38.7 168.0 -73.5 137.1 47.8 9.1 1.7 79 470 A V E + 0 0 52 10,-3.0 2,-0.3 1,-0.5 88,-0.2 0.641 64.6 7.6-119.3 -34.6 48.4 8.0 5.3 80 471 A A E -C 89 0A 7 9,-1.1 9,-1.6 86,-0.1 -1,-0.5 -0.961 66.3-173.7-145.8 160.0 44.9 7.1 6.5 81 472 A E E -C 88 0A 49 -2,-0.3 2,-0.3 7,-0.2 7,-0.2 -0.996 10.4-174.8-160.7 151.8 41.5 6.8 4.8 82 473 A I E C 87 0A 35 5,-2.0 5,-1.1 -2,-0.3 -2,-0.0 -0.984 360.0 360.0-145.3 151.3 37.8 6.3 5.3 83 474 A S 0 0 84 -2,-0.3 5,-0.0 3,-0.2 -2,-0.0 -0.290 360.0 360.0-143.1 360.0 34.8 5.8 3.0 84 ! 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 85 481 A Y 0 0 86 0, 0.0 2,-0.3 0, 0.0 20,-0.2 0.000 360.0 360.0 360.0 175.4 31.4 11.4 5.0 86 482 A Q E + D 0 104A 56 18,-2.1 18,-2.3 2,-0.0 2,-0.3 -0.990 360.0 167.8-137.7 140.9 34.7 10.4 3.4 87 483 A L E -CD 82 103A 2 -5,-1.1 -5,-2.0 -2,-0.3 2,-0.3 -0.917 13.8-175.9-147.0 173.4 38.1 11.6 4.6 88 484 A S E -CD 81 102A 2 14,-1.2 14,-2.8 -2,-0.3 2,-0.4 -0.904 17.2-138.2-171.9 144.7 41.8 11.0 4.2 89 485 A I E -CD 80 101A 0 -9,-1.6 -10,-3.0 -2,-0.3 -9,-1.1 -0.873 23.3-177.2-114.3 144.2 45.0 12.3 5.7 90 486 A H E -CD 78 100A 1 10,-1.4 10,-1.4 -2,-0.4 2,-0.9 -0.942 37.8-104.5-139.6 159.2 48.1 13.1 3.9 91 487 A E E - D 0 99A 36 -14,-1.3 8,-0.2 -2,-0.3 6,-0.1 -0.786 57.0-112.9 -83.2 111.2 51.6 14.3 4.4 92 488 A R - 0 0 51 6,-1.7 6,-0.2 -2,-0.9 -16,-0.1 -0.177 11.1-144.1 -49.7 130.3 51.3 18.0 3.3 93 489 A E S S+ 0 0 105 1,-0.2 -1,-0.1 2,-0.1 -17,-0.1 0.928 102.2 62.3 -59.7 -42.6 53.1 18.8 0.1 94 490 A D S S- 0 0 99 1,-0.3 -1,-0.2 2,-0.1 3,-0.0 0.947 128.1 -1.1 -42.2 -72.5 53.7 22.2 1.8 95 492 A N > - 0 0 64 1,-0.1 3,-2.1 3,-0.1 -3,-0.4 -0.948 65.5-152.0-131.2 109.6 55.7 20.7 4.7 96 493 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.717 90.3 70.6 -49.8 -26.2 56.2 17.0 4.8 97 494 A Q T 3 S+ 0 0 116 -6,-0.1 66,-0.7 66,-0.1 2,-0.2 0.640 98.0 51.7 -72.2 -15.1 56.4 17.0 8.6 98 495 A S S < S- 0 0 4 -3,-2.1 -6,-1.7 -6,-0.2 2,-0.3 -0.693 72.2-131.9-119.3 173.8 52.7 17.8 9.1 99 496 A H E -DE 91 156A 0 57,-0.7 57,-1.3 -8,-0.2 2,-0.4 -0.860 4.9-155.8-125.1 158.6 49.3 16.4 8.0 100 497 A V E -DE 90 155A 0 -10,-1.4 -10,-1.4 -2,-0.3 2,-0.6 -1.000 14.2-141.6-134.4 132.0 46.1 17.7 6.6 101 498 A L E -DE 89 154A 0 53,-3.7 53,-1.5 -2,-0.4 2,-0.5 -0.854 17.3-165.3 -97.3 119.3 42.7 16.0 6.9 102 499 A V E +DE 88 153A 0 -14,-2.8 -14,-1.2 -2,-0.6 2,-0.3 -0.909 13.0 174.3-108.4 128.6 40.6 16.3 3.8 103 500 A M E +DE 87 152A 0 49,-2.8 49,-2.6 -2,-0.5 2,-0.3 -0.977 10.7 171.7-137.3 146.6 36.9 15.5 4.0 104 501 A K E +DE 86 151A 2 -18,-2.3 -18,-2.1 -2,-0.3 2,-0.3 -0.894 24.0 101.9-141.7 170.3 33.8 15.6 1.8 105 502 A G E + E 0 150A 4 45,-1.1 45,-2.6 -2,-0.3 5,-0.1 -0.965 68.3 11.0 148.7-162.8 30.2 14.4 2.0 106 503 A A > - 0 0 53 -2,-0.3 4,-3.1 43,-0.2 5,-0.2 -0.186 66.0-132.6 -49.0 128.6 26.7 15.6 2.7 107 504 A P H > S+ 0 0 4 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.948 102.3 41.5 -49.5 -61.0 26.7 19.4 2.8 108 505 A E H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.888 117.3 47.2 -58.6 -41.4 24.7 19.9 6.1 109 506 A R H > S+ 0 0 142 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.912 114.2 49.0 -67.0 -39.7 26.5 17.0 7.8 110 507 A I H >< S+ 0 0 2 -4,-3.1 3,-1.5 1,-0.2 -2,-0.2 0.949 108.0 53.6 -60.8 -51.7 29.8 18.4 6.6 111 508 A L H >< S+ 0 0 19 -4,-3.3 3,-1.9 1,-0.3 -1,-0.2 0.877 101.9 59.8 -52.4 -41.8 28.9 21.9 7.8 112 509 A D H 3< S+ 0 0 98 -4,-1.9 -1,-0.3 1,-0.3 66,-0.2 0.765 100.4 55.7 -59.7 -28.3 28.2 20.6 11.3 113 510 A R T << S+ 0 0 58 -3,-1.5 66,-3.5 -4,-0.8 2,-0.4 0.333 95.0 88.1 -87.6 6.4 31.7 19.3 11.7 114 511 A C E < +f 179 0A 14 -3,-1.9 66,-0.2 64,-0.3 3,-0.1 -0.908 40.1 172.5-114.5 134.2 33.2 22.7 11.0 115 512 A S E S+ 0 0 56 64,-2.0 11,-3.6 -2,-0.4 65,-0.2 0.739 76.3 28.0-101.1 -34.9 34.0 25.5 13.4 116 513 A S E -fG 180 125A 11 63,-1.5 65,-2.1 9,-0.3 2,-0.3 -0.423 65.9-157.3-114.3-169.0 35.8 27.8 11.0 117 514 A I E -fG 181 124A 5 7,-0.9 7,-2.9 63,-0.3 2,-0.4 -0.930 20.8-112.0-171.3 145.4 35.8 28.5 7.2 118 515 A L E + G 0 123A 17 63,-2.2 -108,-0.6 -2,-0.3 2,-0.4 -0.723 28.3 174.1 -90.6 131.6 38.1 29.9 4.5 119 516 A V E > S- G 0 122A 36 3,-2.6 3,-2.3 -2,-0.4 -2,-0.0 -0.969 79.7 -19.7-135.5 113.9 37.3 33.2 2.8 120 517 A Q T 3 S- 0 0 123 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.913 127.8 -53.3 51.6 47.5 40.0 34.4 0.4 121 518 A G T 3 S+ 0 0 32 1,-0.2 2,-0.5 -95,-0.1 -1,-0.3 0.256 115.6 117.6 75.9 -13.3 42.6 32.2 2.1 122 519 A K E < -G 119 0A 136 -3,-2.3 -3,-2.6 1,-0.0 2,-0.6 -0.747 60.9-137.1 -93.3 130.7 41.7 33.6 5.5 123 520 A E E +G 118 0A 95 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.0 -0.742 31.2 171.4 -87.6 122.2 40.3 31.3 8.1 124 521 A I E -G 117 0A 52 -7,-2.9 -7,-0.9 -2,-0.6 -2,-0.0 -0.968 41.4 -84.1-132.3 147.5 37.4 32.8 10.1 125 522 A P E -G 116 0A 95 0, 0.0 2,-1.5 0, 0.0 -9,-0.3 -0.121 39.6-122.1 -48.2 142.2 34.9 31.5 12.6 126 523 A L + 0 0 12 -11,-3.6 -10,-0.1 4,-0.1 5,-0.1 -0.380 51.8 168.7 -85.9 57.0 31.9 29.8 11.0 127 524 A D > - 0 0 71 -2,-1.5 4,-2.3 3,-0.1 5,-0.2 0.183 51.4 -82.7 -61.0-176.5 29.4 32.1 12.7 128 525 A K H > S+ 0 0 152 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.940 125.2 57.0 -55.9 -55.7 25.7 32.5 11.9 129 526 A E H > S+ 0 0 146 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 112.0 42.8 -45.3 -47.9 26.2 34.9 9.0 130 527 A M H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 108.9 56.9 -69.7 -40.3 28.4 32.4 7.2 131 528 A Q H X S+ 0 0 86 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.897 109.8 47.3 -56.8 -39.4 26.2 29.4 8.0 132 529 A D H X S+ 0 0 84 -4,-2.6 4,-3.4 2,-0.2 5,-0.3 0.925 106.2 55.9 -67.5 -44.3 23.3 31.3 6.3 133 530 A A H X S+ 0 0 21 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.877 112.1 46.9 -54.1 -36.1 25.5 32.2 3.3 134 531 A F H X S+ 0 0 5 -4,-2.2 4,-3.7 2,-0.2 5,-0.3 0.934 109.8 49.9 -71.7 -48.9 26.0 28.4 3.1 135 532 A Q H X S+ 0 0 89 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.940 113.0 48.1 -56.8 -46.6 22.3 27.5 3.5 136 533 A N H X S+ 0 0 110 -4,-3.4 4,-2.0 2,-0.2 3,-0.3 0.944 114.9 44.3 -59.6 -48.5 21.4 30.0 0.8 137 534 A A H X S+ 0 0 2 -4,-2.1 4,-2.2 -5,-0.3 3,-0.3 0.961 111.9 53.1 -58.9 -52.1 24.1 28.6 -1.5 138 535 A Y H X S+ 0 0 61 -4,-3.7 4,-1.3 1,-0.2 -1,-0.2 0.767 109.4 52.0 -53.7 -27.8 23.2 25.1 -0.7 139 536 A L H X S+ 0 0 97 -4,-1.6 4,-1.6 -3,-0.3 -1,-0.2 0.874 108.9 46.7 -79.3 -39.7 19.6 26.0 -1.6 140 537 A E H X S+ 0 0 101 -4,-2.0 4,-0.7 -3,-0.3 -2,-0.2 0.985 116.4 42.9 -66.3 -57.3 20.3 27.5 -5.0 141 538 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.3 1,-0.2 3,-1.2 0.897 116.2 47.1 -57.6 -44.9 22.6 24.6 -6.2 142 539 A G H ><5S+ 0 0 34 -4,-1.3 3,-1.8 -5,-0.3 -1,-0.2 0.873 106.1 62.1 -65.4 -32.3 20.4 21.9 -4.9 143 540 A G H 3<5S+ 0 0 67 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.646 92.5 62.9 -66.0 -16.5 17.5 23.7 -6.5 144 541 A L T <<5S- 0 0 95 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.355 120.2-110.3 -88.0 4.6 19.0 23.2 -9.9 145 542 A G T < 5S+ 0 0 66 -3,-1.8 2,-0.2 1,-0.3 -3,-0.2 0.666 73.5 142.4 75.3 16.9 18.6 19.5 -9.3 146 543 A E < - 0 0 14 -5,-1.3 2,-0.5 42,-0.1 -1,-0.3 -0.628 60.6-108.6 -92.4 148.8 22.4 19.1 -9.0 147 544 A R E - H 0 187A 122 40,-2.3 40,-2.1 -2,-0.2 2,-0.4 -0.644 39.9-154.5 -75.3 119.8 24.1 16.8 -6.5 148 545 A V E - H 0 186A 14 -2,-0.5 2,-0.3 38,-0.2 38,-0.2 -0.824 13.0-174.2-100.4 136.7 25.7 19.1 -3.9 149 546 A L E - H 0 185A 20 36,-0.9 36,-1.7 -2,-0.4 2,-0.4 -0.938 15.8-137.9-127.6 150.4 28.8 18.1 -1.9 150 547 A G E -EH 105 184A 0 -45,-2.6 -45,-1.1 -2,-0.3 2,-0.4 -0.842 15.2-157.5-107.3 146.3 30.5 19.9 1.0 151 548 A F E +EH 104 183A 0 32,-2.3 31,-3.0 -2,-0.4 32,-1.9 -0.982 19.3 156.2-131.6 126.9 34.2 20.1 1.3 152 549 A C E -EH 103 181A 0 -49,-2.6 -49,-2.8 -2,-0.4 2,-0.3 -0.884 12.5-172.0-138.5 169.0 36.3 20.8 4.4 153 550 A Q E -EH 102 180A 17 27,-1.8 27,-2.9 -2,-0.3 2,-0.3 -0.951 10.8-150.0-154.5 170.0 39.8 20.2 5.7 154 551 A L E -E 101 0A 33 -53,-1.5 -53,-3.7 -2,-0.3 2,-1.1 -0.900 15.5-139.5-154.2 121.6 42.0 20.4 8.8 155 552 A N E -E 100 0A 64 -2,-0.3 -55,-0.3 -55,-0.3 3,-0.1 -0.706 33.4-135.7 -81.2 101.2 45.7 21.0 9.1 156 553 A L E -E 99 0A 4 -57,-1.3 -57,-0.7 -2,-1.1 5,-0.0 -0.348 24.2-102.3 -61.7 131.5 46.6 18.6 11.9 157 554 A P > - 0 0 72 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 -0.330 24.8-139.6 -54.4 130.1 48.9 20.1 14.5 158 555 A S T 4 S+ 0 0 70 1,-0.2 5,-0.1 2,-0.2 -2,-0.1 0.673 96.2 63.8 -68.5 -15.0 52.4 18.7 13.8 159 556 A G T 4 S+ 0 0 68 2,-0.2 -1,-0.2 1,-0.2 -3,-0.0 0.988 113.2 26.8 -71.7 -59.3 53.0 18.3 17.5 160 557 A K T 4 S+ 0 0 169 1,-0.2 -2,-0.2 5,-0.0 -1,-0.2 0.692 133.8 38.1 -77.1 -19.5 50.3 15.7 18.3 161 558 A F S < S+ 0 0 19 -4,-1.6 -1,-0.2 -62,-0.1 4,-0.2 -0.377 80.7 170.5-130.6 57.6 50.3 14.3 14.7 162 559 A P > - 0 0 58 0, 0.0 3,-1.2 0, 0.0 -64,-0.1 -0.008 51.8 -62.5 -60.5 169.8 54.0 14.3 13.6 163 560 A R T 3 S+ 0 0 123 -66,-0.7 -66,-0.1 1,-0.3 -64,-0.1 -0.228 126.6 22.0 -51.5 143.1 55.2 12.6 10.4 164 561 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.752 80.4 160.1 68.4 25.6 54.6 8.9 10.6 165 562 A F < - 0 0 48 -3,-1.2 2,-1.2 -4,-0.2 -1,-0.2 -0.691 46.2-121.0 -80.4 127.9 51.8 9.1 13.3 166 563 A K - 0 0 176 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.562 29.4-157.3 -73.2 99.3 49.8 5.8 13.2 167 564 A F - 0 0 24 -2,-1.2 2,-0.9 -88,-0.2 3,-0.1 -0.605 10.3-138.3 -78.1 136.3 46.3 7.0 12.5 168 565 A D > - 0 0 72 -2,-0.3 5,-1.1 1,-0.2 6,-0.2 -0.860 16.3-169.7 -98.9 103.3 43.7 4.5 13.6 169 566 A T T 5S+ 0 0 60 -2,-0.9 -1,-0.2 3,-0.2 3,-0.2 0.903 82.0 40.3 -58.7 -47.7 41.2 4.6 10.8 170 567 A D T 5S+ 0 0 140 1,-0.2 2,-0.9 -3,-0.1 -2,-0.1 0.977 121.0 35.9 -63.9 -86.1 38.6 2.5 12.7 171 568 A E T 5S- 0 0 134 1,-0.1 -1,-0.2 2,-0.1 -3,-0.2 -0.620 108.3-109.5 -71.4 104.2 38.7 3.9 16.2 172 569 A L T 5 - 0 0 65 -2,-0.9 -3,-0.2 1,-0.2 -1,-0.1 -0.131 36.4-176.7 -44.9 113.5 39.4 7.6 15.5 173 570 A N S