==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 28-FEB-13 4JG6 . COMPND 2 MOLECULE: RIBOSOMAL PROTEIN S6 KINASE ALPHA-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.MILLER,V.O.PAAVILAINEN,S.KRISHNAN,I.M.SERAFIMOVA,J.TAUNT . 302 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15287.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 192 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 2 1 1 0 1 0 2 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 1 1 1 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 . 1 0 1 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 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 1 406 A S 0 0 157 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 111.6 8.9 -22.5 -9.8 2 407 A I - 0 0 104 1,-0.1 2,-0.2 0, 0.0 0, 0.0 -0.429 360.0 -94.4 -79.0 154.0 11.0 -25.5 -8.8 3 408 A V - 0 0 137 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.442 27.0-145.7 -68.9 136.6 9.4 -28.6 -7.2 4 409 A Q - 0 0 111 -2,-0.2 2,-1.1 2,-0.1 -1,-0.1 -0.925 13.0-153.2-100.2 110.8 9.3 -28.8 -3.4 5 410 A Q + 0 0 90 -2,-0.7 2,-0.3 0, 0.0 3,-0.0 -0.710 38.4 136.9 -94.0 100.9 9.7 -32.4 -2.5 6 411 A L - 0 0 69 -2,-1.1 -2,-0.1 2,-0.0 68,-0.0 -0.998 54.8 -41.6-149.2 138.5 8.1 -32.9 0.9 7 412 A H + 0 0 26 -2,-0.3 69,-0.1 1,-0.1 73,-0.0 0.024 68.0 119.7 49.9-143.0 5.7 -35.3 2.7 8 413 A R + 0 0 76 67,-0.3 2,-0.2 1,-0.2 68,-0.1 0.883 52.1 126.9 50.9 54.2 2.7 -36.9 1.0 9 414 A N - 0 0 101 66,-0.6 -1,-0.2 2,-0.2 65,-0.0 -0.631 67.5-103.3-129.2-173.9 3.7 -40.6 1.2 10 415 A S S S+ 0 0 116 -2,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.986 93.9 69.9 -74.6 -67.3 2.5 -44.1 2.3 11 416 A I S S- 0 0 58 1,-0.1 -2,-0.2 2,-0.0 2,-0.1 -0.344 73.4-151.3 -61.2 127.4 4.3 -44.7 5.6 12 417 A Q > - 0 0 68 -2,-0.1 4,-0.7 1,-0.1 -1,-0.1 -0.317 22.9-113.9 -89.4 177.6 3.0 -42.5 8.4 13 418 A F H >> S+ 0 0 7 2,-0.2 4,-1.6 1,-0.2 3,-0.5 0.877 114.9 55.5 -78.8 -40.7 4.9 -41.2 11.5 14 419 A T H 34 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.788 100.5 62.7 -61.6 -28.8 2.8 -43.2 13.9 15 420 A D H 34 S+ 0 0 97 1,-0.2 -1,-0.2 3,-0.0 -2,-0.2 0.885 114.6 28.4 -65.9 -40.4 3.7 -46.4 12.0 16 421 A G H << S+ 0 0 19 -4,-0.7 17,-1.2 -3,-0.5 18,-0.6 0.573 124.3 40.4-100.1 -12.1 7.4 -46.2 12.7 17 422 A Y E < -A 32 0A 9 -4,-1.6 2,-0.4 15,-0.2 15,-0.2 -0.856 61.6-143.5-132.9 166.3 7.5 -44.3 16.0 18 423 A E E -A 31 0A 73 13,-1.6 13,-1.4 -2,-0.3 2,-0.6 -0.999 26.4-123.2-132.9 132.9 5.6 -44.1 19.3 19 424 A V E +A 30 0A 66 -2,-0.4 11,-0.2 11,-0.2 2,-0.1 -0.641 29.6 179.6 -87.2 117.3 5.1 -40.8 21.2 20 425 A K E - 0 0 78 9,-3.0 11,-0.0 -2,-0.6 -1,-0.0 -0.117 44.9 -43.7 -92.4-163.5 6.3 -40.5 24.7 21 426 A E E - 0 0 102 7,-0.2 8,-3.3 1,-0.1 -1,-0.3 0.114 69.1 -82.7 -67.0 177.9 6.0 -37.4 27.0 22 427 A D E A 28 0A 100 6,-0.3 6,-0.3 1,-0.1 -1,-0.1 -0.419 360.0 360.0 -81.6 154.8 6.6 -33.8 26.1 23 428 A I 0 0 103 4,-2.2 5,-0.2 -2,-0.1 -1,-0.1 0.382 360.0 360.0-145.7 360.0 10.0 -32.0 26.0 24 ! 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 25 434 A S 0 0 103 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.000 360.0 360.0 360.0 153.2 4.7 -26.3 17.8 26 435 A V E - B 0 43A 57 17,-2.2 17,-3.1 2,-0.0 2,-0.4 -0.972 360.0-146.6-126.6 136.6 5.1 -29.0 20.4 27 436 A C E + B 0 42A 49 -2,-0.4 -4,-2.2 15,-0.2 2,-0.3 -0.815 21.5 171.8-102.0 140.5 8.1 -31.2 21.3 28 437 A K E -AB 22 41A 61 13,-1.7 13,-2.9 -2,-0.4 2,-0.4 -0.995 35.5-113.0-144.7 147.7 7.8 -34.8 22.5 29 438 A R E + B 0 40A 50 -8,-3.3 -9,-3.0 -2,-0.3 2,-0.2 -0.687 42.3 179.8 -77.7 129.2 10.1 -37.6 23.2 30 439 A C E -AB 19 39A 0 9,-2.3 9,-2.1 -2,-0.4 2,-0.4 -0.715 18.6-137.9-121.0 177.2 9.5 -40.5 20.8 31 440 A I E -AB 18 38A 26 -13,-1.4 -13,-1.6 7,-0.3 2,-0.9 -0.997 17.1-126.9-137.7 141.5 11.0 -43.9 20.2 32 441 A H E >> -AB 17 37A 54 5,-3.6 4,-2.7 -2,-0.4 5,-0.9 -0.793 21.9-159.8 -89.9 108.8 11.8 -45.7 17.0 33 442 A K T 45S+ 0 0 98 -17,-1.2 -1,-0.2 -2,-0.9 -16,-0.1 0.691 85.0 61.6 -70.4 -18.5 10.0 -49.0 17.5 34 443 A A T 45S+ 0 0 77 -18,-0.6 -1,-0.2 1,-0.1 -17,-0.1 0.976 125.9 12.7 -66.4 -57.5 12.1 -50.7 15.0 35 444 A T T 45S- 0 0 71 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.430 97.3-124.8-100.3 -2.0 15.4 -50.2 16.8 36 445 A N T <5 + 0 0 125 -4,-2.7 2,-0.4 1,-0.2 -3,-0.2 0.778 60.7 147.3 59.9 27.3 14.0 -49.1 20.2 37 446 A M E < -B 32 0A 100 -5,-0.9 -5,-3.6 1,-0.0 2,-0.3 -0.779 44.1-128.9 -95.4 140.0 16.1 -45.9 19.9 38 447 A E E +B 31 0A 75 -2,-0.4 48,-0.5 -7,-0.3 -7,-0.3 -0.659 33.9 161.0 -93.3 141.8 14.8 -42.7 21.4 39 448 A F E -B 30 0A 24 -9,-2.1 -9,-2.3 -2,-0.3 2,-0.4 -0.766 37.2-101.2-139.6-175.2 14.6 -39.4 19.6 40 449 A A E -BC 29 84A 11 44,-2.7 44,-3.4 -11,-0.2 2,-0.5 -0.958 27.3-161.3-117.3 137.4 12.8 -36.0 19.7 41 450 A V E -BC 28 83A 1 -13,-2.9 -13,-1.7 -2,-0.4 2,-0.7 -0.964 5.3-157.4-123.8 119.1 9.9 -35.1 17.5 42 451 A K E -BC 27 82A 22 40,-3.0 40,-2.4 -2,-0.5 2,-0.6 -0.842 12.0-155.9 -94.3 113.0 8.7 -31.6 16.9 43 452 A I E -BC 26 81A 25 -17,-3.1 -17,-2.2 -2,-0.7 2,-0.4 -0.806 12.9-168.9 -93.1 117.4 5.1 -31.5 15.8 44 453 A I E - C 0 80A 3 36,-2.8 36,-2.3 -2,-0.6 2,-0.7 -0.838 21.1-128.6-110.5 143.5 4.3 -28.4 13.8 45 454 A D E >> - C 0 79A 30 -2,-0.4 3,-2.3 34,-0.2 4,-2.2 -0.806 10.2-158.9 -93.5 112.5 0.8 -27.2 12.8 46 455 A K T 34 S+ 0 0 72 32,-1.3 -1,-0.1 -2,-0.7 33,-0.1 0.653 92.7 63.9 -65.6 -14.6 0.7 -26.5 9.0 47 456 A S T 34 S+ 0 0 98 31,-0.2 -1,-0.3 1,-0.1 32,-0.1 0.350 117.9 25.6 -88.6 4.9 -2.3 -24.3 9.6 48 457 A K T <4 S+ 0 0 165 -3,-2.3 -2,-0.2 0, 0.0 -1,-0.1 0.612 132.7 12.2-124.8 -62.8 0.0 -22.0 11.6 49 458 A R < - 0 0 66 -4,-2.2 -3,-0.2 2,-0.0 3,-0.2 0.945 60.8-154.6 -94.1 -59.3 3.7 -22.2 10.7 50 459 A D > - 0 0 100 -5,-0.4 2,-1.8 1,-0.1 3,-0.6 0.986 14.5-155.1 63.1 74.6 4.6 -24.0 7.5 51 460 A P T 3> + 0 0 9 0, 0.0 4,-2.0 0, 0.0 5,-0.1 -0.267 54.8 123.0 -78.8 50.3 8.1 -25.0 8.5 52 461 A T H 3> S+ 0 0 16 -2,-1.8 4,-1.7 2,-0.2 5,-0.1 0.884 77.8 48.0 -75.4 -39.1 9.4 -25.3 4.9 53 462 A E H <> S+ 0 0 48 -3,-0.6 4,-1.3 2,-0.2 -1,-0.2 0.870 113.9 47.6 -66.5 -38.3 12.1 -22.8 5.7 54 463 A E H > S+ 0 0 13 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.955 111.1 47.9 -69.1 -51.8 13.1 -24.6 8.9 55 464 A I H X S+ 0 0 8 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.851 107.8 57.2 -60.7 -36.4 13.3 -28.1 7.4 56 465 A E H X S+ 0 0 63 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.916 107.9 47.5 -59.0 -44.6 15.4 -26.9 4.5 57 466 A I H X S+ 0 0 1 -4,-1.3 4,-3.8 -3,-0.3 5,-0.4 0.925 111.9 49.3 -63.6 -46.1 18.0 -25.5 6.9 58 467 A L H X S+ 0 0 7 -4,-2.1 4,-2.0 1,-0.2 12,-0.4 0.915 112.3 47.7 -61.8 -45.8 18.1 -28.7 9.0 59 468 A L H < S+ 0 0 110 -4,-2.6 4,-0.2 2,-0.2 -1,-0.2 0.936 121.6 36.4 -57.7 -48.3 18.5 -30.9 5.9 60 469 A R H < S+ 0 0 110 -4,-2.2 3,-0.3 -5,-0.2 -2,-0.2 0.935 132.9 23.5 -74.8 -50.0 21.2 -28.7 4.5 61 470 A Y H >< S+ 0 0 3 -4,-3.8 3,-1.8 -5,-0.2 -3,-0.2 0.461 93.1 94.6-100.5 -2.7 23.1 -27.7 7.7 62 471 A G T 3< S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.4 5,-0.2 0.685 71.9 75.5 -63.9 -16.9 22.1 -30.5 10.1 63 472 A Q T 3 + 0 0 166 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.773 70.0 108.1 -64.2 -27.5 25.3 -32.2 9.1 64 473 A H S X S- 0 0 37 -3,-1.8 3,-1.3 1,-0.1 -3,-0.0 -0.268 75.4-131.7 -56.3 133.5 27.2 -29.7 11.3 65 474 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.869 104.8 41.4 -54.8 -42.4 28.6 -31.4 14.5 66 475 A N T 3 S+ 0 0 21 47,-0.1 84,-2.1 83,-0.1 2,-0.4 0.311 99.3 87.4 -94.1 5.8 27.3 -28.7 16.8 67 476 A I B < S-e 150 0B 2 -3,-1.3 84,-0.2 82,-0.3 82,-0.0 -0.905 94.5 -96.0-106.2 136.3 23.9 -28.2 15.1 68 477 A I - 0 0 15 82,-2.7 2,-0.4 -2,-0.4 -4,-0.1 -0.216 46.9-128.5 -51.6 129.7 20.9 -30.4 16.1 69 478 A T - 0 0 35 -4,-0.1 16,-1.4 -6,-0.1 2,-0.6 -0.699 7.1-131.4 -94.9 130.6 20.9 -33.2 13.5 70 479 A L E +D 84 0A 29 -12,-0.4 14,-0.3 -2,-0.4 3,-0.1 -0.676 25.4 176.3 -80.9 116.8 17.7 -34.1 11.6 71 480 A K E - 0 0 115 12,-1.9 2,-0.3 -2,-0.6 13,-0.2 0.591 62.7 -22.5 -96.2 -12.5 17.1 -37.9 11.8 72 481 A D E -D 83 0A 45 11,-1.7 11,-2.4 2,-0.0 2,-0.3 -0.935 52.1-147.9 175.6 162.3 13.8 -38.1 9.9 73 482 A V E -D 82 0A 58 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.992 11.1-171.0-150.7 143.9 10.7 -36.1 8.8 74 483 A Y E -D 81 0A 39 7,-2.7 7,-2.9 -2,-0.3 2,-0.4 -0.962 9.3-162.5-137.1 152.1 7.0 -37.0 8.2 75 484 A D E +D 80 0A 27 -2,-0.3 -66,-0.6 5,-0.2 -67,-0.3 -0.957 10.5 176.9-136.9 117.7 3.9 -35.3 6.8 76 485 A D - 0 0 60 3,-1.8 4,-0.1 -2,-0.4 -1,-0.1 0.390 60.3-103.6 -97.1 1.4 0.4 -36.6 7.4 77 486 A G S S+ 0 0 55 2,-0.4 3,-0.1 1,-0.1 -2,-0.0 0.065 115.2 48.2 99.2 -22.6 -1.2 -33.8 5.5 78 487 A K S S+ 0 0 133 1,-0.4 -32,-1.3 -32,-0.0 2,-0.3 0.765 115.2 26.7-109.0 -59.6 -2.3 -31.9 8.6 79 488 A Y E -C 45 0A 88 -34,-0.2 -3,-1.8 -33,-0.1 2,-0.5 -0.785 68.7-135.4-109.3 152.6 0.8 -31.8 10.9 80 489 A V E -CD 44 75A 9 -36,-2.3 -36,-2.8 -2,-0.3 2,-0.6 -0.933 15.8-154.0-107.6 127.9 4.5 -31.9 10.1 81 490 A Y E -CD 43 74A 36 -7,-2.9 -7,-2.7 -2,-0.5 2,-0.7 -0.889 7.2-169.4-106.9 115.0 6.7 -34.2 12.2 82 491 A V E -CD 42 73A 2 -40,-2.4 -40,-3.0 -2,-0.6 2,-0.6 -0.895 7.7-161.9-104.8 109.9 10.4 -33.3 12.5 83 492 A V E +CD 41 72A 0 -11,-2.4 -12,-1.9 -2,-0.7 -11,-1.7 -0.809 20.7 160.9 -95.5 122.2 12.4 -36.1 14.2 84 493 A T E -CD 40 70A 15 -44,-3.4 -44,-2.7 -2,-0.6 -14,-0.2 -0.730 45.8 -69.7-129.0 178.2 15.8 -35.1 15.6 85 494 A E - 0 0 28 -16,-1.4 2,-0.5 -2,-0.2 -46,-0.1 -0.471 52.3-118.0 -71.0 142.4 18.4 -36.3 18.0 86 495 A L - 0 0 24 -48,-0.5 2,-0.6 -2,-0.1 -1,-0.1 -0.711 19.5-131.2 -88.7 127.2 17.3 -36.2 21.7 87 496 A M + 0 0 31 -2,-0.5 52,-0.2 1,-0.1 3,-0.2 -0.674 29.2 172.4 -81.2 116.3 19.4 -33.9 24.0 88 497 A K + 0 0 111 51,-2.1 51,-0.2 -2,-0.6 52,-0.2 0.382 67.0 70.3-101.3 0.7 20.3 -35.9 27.1 89 498 A G S S- 0 0 2 49,-2.8 50,-0.2 1,-0.3 -1,-0.1 0.423 92.9-134.4-101.0 0.0 22.6 -33.3 28.6 90 499 A G - 0 0 43 48,-0.4 48,-2.8 -3,-0.2 -1,-0.3 -0.149 53.6 -22.7 74.9-175.1 20.1 -30.6 29.5 91 500 A E B > -F 137 0B 34 46,-0.2 4,-2.3 1,-0.1 46,-0.3 -0.481 59.4-137.1 -68.8 137.4 20.4 -26.9 28.8 92 501 A L H > S+ 0 0 1 44,-2.4 4,-2.3 41,-0.4 5,-0.2 0.967 102.0 40.5 -61.3 -57.1 24.0 -25.8 28.4 93 502 A L H > S+ 0 0 2 43,-0.5 4,-2.7 40,-0.4 5,-0.2 0.905 113.0 56.9 -59.2 -43.6 23.8 -22.6 30.4 94 503 A D H > S+ 0 0 35 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.936 110.6 42.4 -53.3 -52.8 21.7 -24.3 33.1 95 504 A K H >< S+ 0 0 57 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.900 113.6 52.8 -63.1 -42.8 24.2 -27.1 33.7 96 505 A I H >< S+ 0 0 0 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.929 104.5 53.6 -60.7 -48.9 27.2 -24.7 33.6 97 506 A L H 3< S+ 0 0 7 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.735 104.0 59.5 -59.6 -21.9 25.7 -22.3 36.2 98 507 A R T << S+ 0 0 139 -4,-0.8 2,-0.8 -3,-0.6 -1,-0.3 0.361 83.2 97.0 -89.7 4.9 25.3 -25.3 38.5 99 508 A Q < - 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0 0 22 -2,-0.3 4,-1.4 1,-0.1 3,-0.1 -0.240 20.4-129.6 -61.6 144.4 39.9 -10.8 33.4 241 650 A D H > S+ 0 0 135 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.855 108.3 54.9 -63.4 -36.4 40.0 -7.3 31.9 242 651 A T H > S+ 0 0 51 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.882 103.8 54.4 -64.7 -39.7 40.1 -8.8 28.4 243 652 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 103.9 55.2 -63.4 -37.7 36.9 -10.8 29.0 244 653 A K H X S+ 0 0 36 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.815 104.3 56.0 -64.6 -30.4 35.1 -7.6 30.0 245 654 A D H X S+ 0 0 58 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.907 105.3 49.7 -68.7 -43.3 36.1 -6.1 26.6 246 655 A L H X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.900 109.6 52.3 -61.9 -41.9 34.6 -8.9 24.6 247 656 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 3,-0.2 0.904 107.3 50.4 -63.2 -44.5 31.3 -8.7 26.5 248 657 A S H < S+ 0 0 36 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.4 47.1 -64.6 -35.0 30.8 -5.0 25.9 249 658 A K H < S+ 0 0 90 -4,-1.5 10,-1.7 1,-0.2 -1,-0.2 0.717 110.9 51.2 -81.8 -22.1 31.4 -5.2 22.2 250 659 A M H < S+ 0 0 0 -4,-1.4 -54,-0.3 -3,-0.2 -2,-0.2 0.808 116.5 40.1 -80.5 -32.8 29.0 -8.2 21.8 251 660 A L S < S+ 0 0 3 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.296 82.6 149.2 -96.3 6.7 26.2 -6.4 23.6 252 661 A H - 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0 0 29 0, 0.0 -172,-1.4 0, 0.0 -173,-0.6 -0.367 25.1-160.5 -62.5 136.1 42.5 -17.8 34.4 278 687 A Q + 0 0 126 -174,-0.2 2,-0.2 -175,-0.1 3,-0.1 0.367 58.2 103.4 -98.7 2.0 41.8 -21.5 35.1 279 688 A Y S S- 0 0 127 1,-0.1 -175,-0.4 -178,-0.0 -174,-0.1 -0.617 84.2 -83.6 -94.2 147.9 40.4 -20.9 38.7 280 689 A Q - 0 0 105 -2,-0.2 2,-0.3 -177,-0.1 -177,-0.2 -0.060 45.9-123.1 -49.3 139.5 36.7 -21.0 39.6 281 690 A L - 0 0 9 -179,-2.1 2,-0.6 -181,-0.1 -179,-0.1 -0.624 17.6-117.7 -85.7 142.9 34.8 -17.8 39.0 282 691 A N + 0 0 65 -2,-0.3 2,-0.3 -47,-0.2 -44,-0.1 -0.731 53.2 158.2 -78.8 118.9 32.9 -16.0 41.8 283 692 A R - 0 0 23 -2,-0.6 2,-0.3 -183,-0.1 -78,-0.2 -0.945 46.6-104.4-141.2 156.8 29.3 -16.1 40.8 284 693 A Q - 0 0 63 -80,-1.8 2,-0.7 -2,-0.3 0, 0.0 -0.626 32.4-143.1 -73.1 140.5 25.8 -15.8 42.1 285 694 A D + 0 0 87 -2,-0.3 -79,-0.1 1,-0.1 -187,-0.1 -0.869 57.8 115.9-110.7 100.1 24.1 -19.2 42.3 286 695 A A >> + 0 0 24 -2,-0.7 4,-2.5 -81,-0.4 3,-0.6 -0.361 25.2 163.8-148.3 63.9 20.5 -18.9 41.4 287 696 A P H 3> S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.869 79.5 50.1 -52.5 -41.4 20.2 -21.0 38.2 288 697 A H H 3> S+ 0 0 147 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.852 110.4 50.0 -65.5 -36.1 16.4 -21.2 38.6 289 698 A L H <> S+ 0 0 70 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.889 108.5 52.2 -69.3 -40.2 16.2 -17.4 39.1 290 699 A V H X S+ 0 0 5 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.909 104.6 57.6 -60.0 -42.9 18.3 -16.8 36.0 291 700 A K H X S+ 0 0 76 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.927 108.2 45.9 -51.8 -49.2 15.9 -19.1 34.1 292 701 A G H X S+ 0 0 16 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.863 111.9 51.9 -63.2 -37.3 13.1 -16.7 35.0 293 702 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -82,-0.3 -2,-0.2 0.900 109.4 49.5 -67.0 -41.9 15.2 -13.7 34.1 294 703 A M H X S+ 0 0 16 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.958 112.0 46.5 -61.5 -53.3 16.0 -15.1 30.7 295 704 A A H X S+ 0 0 68 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.888 114.1 49.6 -56.5 -41.2 12.4 -15.9 29.8 296 705 A A H X S+ 0 0 16 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.868 109.4 51.9 -66.9 -37.7 11.3 -12.5 31.0 297 706 A T H X S+ 0 0 2 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.924 114.2 40.9 -65.9 -46.0 14.0 -10.8 29.0 298 707 A Y H X S+ 0 0 12 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.644 108.6 62.3 -79.3 -14.8 13.1 -12.5 25.7 299 708 A S H < S+ 0 0 76 -4,-1.2 4,-0.3 -5,-0.3 -1,-0.2 0.869 103.8 48.1 -74.5 -37.6 9.4 -12.0 26.5 300 709 A A H < S+ 0 0 5 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.833 111.9 51.4 -68.9 -33.2 9.8 -8.3 26.5 301 710 A L H < S+ 0 0 64 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 110.5 45.7 -70.0 -42.7 11.7 -8.5 23.2 302 711 A N < 0 0 122 -4,-1.6 -1,-0.2 0, 0.0 -2,-0.2 0.385 360.0 360.0 -87.9 3.6 9.1 -10.6 21.3 303 712 A R 0 0 116 -3,-0.4 -3,-0.1 -4,-0.3 -4,-0.0 -0.173 360.0 360.0-113.2 360.0 6.2 -8.5 22.5