==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-APR-13 4BI1 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.R.LANGDON,I.M.WESTWOOD,R.L.M.VAN MONTFORT,N.BROWN,J.BLAGG . 252 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12424.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 159 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 17.1 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 . 3 1.2 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 . 12 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 29.8 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+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 0 1 0 1 1 0 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 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 . 0 1 0 2 2 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 . 0 0 1 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 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 1 516 A Q 0 0 114 0, 0.0 11,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 168.7 -14.1 55.9 17.1 2 517 A S E -A 11 0A 74 9,-0.2 2,-0.3 25,-0.0 9,-0.2 -0.917 360.0-172.0-147.7 167.5 -14.4 54.5 20.6 3 518 A M E -A 10 0A 24 7,-1.4 7,-2.5 -2,-0.3 2,-0.4 -0.951 18.8-127.9-165.8 148.2 -15.2 51.2 22.6 4 519 A S E +A 9 0A 49 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.869 18.2 179.8-106.5 129.2 -15.8 49.9 26.2 5 520 A V E > S-A 8 0A 0 3,-2.6 3,-1.7 -2,-0.4 72,-0.0 -0.973 78.0 -24.6-129.4 114.1 -14.0 47.0 27.9 6 521 A K T 3 S- 0 0 117 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.892 128.0 -47.7 47.0 52.7 -15.1 46.2 31.5 7 522 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.358 115.7 116.5 74.9 1.3 -16.4 49.7 32.1 8 523 A R E < -A 5 0A 75 -3,-1.7 -3,-2.6 21,-0.0 2,-0.3 -0.863 60.3-132.2-107.4 131.5 -13.2 51.4 30.7 9 524 A I E -A 4 0A 88 -2,-0.4 21,-0.4 -5,-0.2 2,-0.4 -0.668 18.8-169.0 -87.2 133.9 -13.2 53.6 27.5 10 525 A Y E -A 3 0A 12 -7,-2.5 -7,-1.4 -2,-0.3 2,-0.4 -0.996 13.1-146.3-125.5 123.5 -10.7 53.1 24.7 11 526 A S E -AB 2 28A 59 17,-2.8 17,-2.4 -2,-0.4 2,-0.4 -0.793 25.0-124.9 -89.2 130.4 -10.2 55.6 21.8 12 527 A I E + B 0 27A 43 -11,-1.7 15,-0.3 -2,-0.4 3,-0.1 -0.682 30.3 175.7 -79.8 126.5 -9.2 53.8 18.6 13 528 A L E - 0 0 84 13,-3.2 2,-0.3 -2,-0.4 14,-0.2 0.849 64.2 -30.7 -92.6 -46.4 -6.0 55.0 16.9 14 529 A K E - B 0 26A 123 12,-1.4 12,-2.9 0, 0.0 2,-0.5 -0.970 59.8 -97.3-165.2 166.7 -5.8 52.5 14.0 15 530 A Q E + B 0 25A 99 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.852 32.8 177.7 -94.2 127.2 -6.6 49.0 12.8 16 531 A I E - 0 0 89 8,-2.9 9,-0.2 -2,-0.5 2,-0.2 0.895 58.8 -1.9 -93.5 -64.5 -3.6 46.6 13.1 17 532 A G E B 0 24A 27 7,-0.8 7,-1.5 1,-0.0 -1,-0.2 -0.557 360.0 360.0-121.1-177.3 -4.9 43.1 12.0 18 533 A S 0 0 96 5,-0.3 3,-0.2 -2,-0.2 5,-0.1 -0.643 360.0 360.0-163.3 360.0 -8.0 41.3 10.8 19 ! 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 20 535 A G 0 0 84 0, 0.0 20,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.5 -11.1 37.0 9.9 21 536 A S + 0 0 60 -3,-0.2 20,-2.7 20,-0.1 2,-0.3 0.212 360.0 75.6 -91.2 6.4 -14.2 37.4 12.2 22 537 A S E - C 0 40A 28 18,-0.3 2,-0.3 2,-0.0 18,-0.2 -0.932 62.7-169.1-120.8 143.0 -11.6 39.1 14.5 23 538 A K E - C 0 39A 27 16,-2.5 16,-3.2 -2,-0.3 2,-0.4 -0.967 9.6-151.6-130.3 141.1 -10.0 42.6 14.2 24 539 A V E -BC 17 38A 38 -7,-1.5 -8,-2.9 -2,-0.3 -7,-0.8 -0.969 18.5-171.3-116.3 132.8 -7.0 43.9 16.2 25 540 A F E -BC 15 37A 29 12,-1.9 12,-2.4 -2,-0.4 2,-0.5 -0.952 27.9-126.7-126.3 151.4 -6.8 47.7 16.9 26 541 A Q E +BC 14 36A 40 -12,-2.9 -13,-3.2 -2,-0.3 -12,-1.4 -0.808 46.6 175.3 -89.7 124.1 -4.2 50.1 18.4 27 542 A V E -BC 12 35A 0 8,-2.6 8,-1.8 -2,-0.5 2,-0.4 -0.833 29.2-137.6-129.8 169.2 -6.1 52.0 21.2 28 543 A L E -BC 11 34A 48 -17,-2.4 -17,-2.8 -2,-0.3 6,-0.2 -0.998 19.0-143.5-127.6 136.3 -5.7 54.6 24.0 29 544 A N > - 0 0 31 4,-2.4 3,-1.5 -2,-0.4 -19,-0.2 -0.160 38.2 -90.2 -85.5-176.6 -7.2 54.3 27.5 30 545 A E T 3 S+ 0 0 102 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.1 0.800 129.5 55.6 -63.1 -29.8 -8.6 57.2 29.7 31 546 A K T 3 S- 0 0 74 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.193 121.7-110.8 -87.2 14.2 -5.0 57.6 31.3 32 547 A K < + 0 0 74 -3,-1.5 2,-0.2 1,-0.2 -2,-0.1 0.578 69.9 145.6 61.3 23.0 -3.7 58.1 27.6 33 548 A Q - 0 0 103 1,-0.1 -4,-2.4 0, 0.0 2,-0.3 -0.624 47.5-118.4 -88.2 145.7 -1.8 54.7 27.6 34 549 A I E +C 28 0A 84 -2,-0.2 55,-0.4 -6,-0.2 2,-0.2 -0.621 40.9 152.9 -90.4 135.0 -1.4 52.6 24.4 35 550 A Y E -C 27 0A 32 -8,-1.8 -8,-2.6 -2,-0.3 2,-0.4 -0.847 39.5-115.1-143.2 178.6 -2.8 49.0 24.1 36 551 A A E -CD 26 87A 8 51,-2.1 51,-2.9 -2,-0.2 2,-0.6 -0.986 23.3-157.9-121.8 128.0 -4.1 46.5 21.4 37 552 A I E -CD 25 86A 0 -12,-2.4 -12,-1.9 -2,-0.4 2,-0.7 -0.956 2.6-156.3-110.6 119.2 -7.7 45.4 21.6 38 553 A K E -CD 24 85A 69 47,-2.3 47,-1.6 -2,-0.6 2,-0.5 -0.846 10.2-165.3 -93.9 113.7 -8.5 42.2 19.9 39 554 A Y E -CD 23 84A 62 -16,-3.2 -16,-2.5 -2,-0.7 2,-0.4 -0.893 5.3-172.6 -98.2 130.7 -12.2 42.1 18.9 40 555 A V E -CD 22 83A 8 43,-2.2 43,-1.9 -2,-0.5 2,-0.6 -0.991 17.8-139.0-124.2 130.6 -13.7 38.6 18.0 41 556 A N E - D 0 82A 52 -20,-2.7 3,-0.3 -2,-0.4 41,-0.2 -0.831 16.0-176.0 -93.2 121.3 -17.2 38.2 16.6 42 557 A L > + 0 0 10 39,-2.8 3,-1.4 -2,-0.6 40,-0.2 0.328 53.4 108.0 -97.4 6.3 -19.0 35.1 18.1 43 558 A E T 3 S+ 0 0 134 38,-0.6 -1,-0.2 1,-0.3 39,-0.1 0.827 92.7 22.7 -51.1 -48.6 -22.1 35.5 15.9 44 559 A E T 3 S+ 0 0 104 -3,-0.3 2,-0.4 -23,-0.0 -1,-0.3 -0.098 96.7 124.4-113.7 31.5 -21.5 32.5 13.6 45 560 A A < - 0 0 26 -3,-1.4 -3,-0.0 4,-0.0 2,-0.0 -0.824 49.0-146.2 -97.7 126.4 -19.2 30.6 16.1 46 561 A D > - 0 0 92 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.201 32.1 -95.6 -82.4 176.6 -20.0 27.0 17.1 47 562 A N H > S+ 0 0 123 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.843 124.9 51.3 -63.1 -37.7 -19.4 25.3 20.5 48 563 A Q H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.880 113.5 46.2 -66.1 -39.1 -16.1 23.7 19.4 49 564 A T H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 105,-0.3 0.947 113.4 48.1 -67.0 -50.0 -14.9 27.1 18.2 50 565 A L H X S+ 0 0 30 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.889 112.6 49.8 -58.2 -42.1 -16.1 28.9 21.4 51 566 A D H X S+ 0 0 85 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.862 109.3 49.6 -68.4 -33.5 -14.4 26.3 23.4 52 567 A S H X S+ 0 0 13 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.867 112.8 49.0 -69.3 -38.5 -11.1 26.6 21.5 53 568 A Y H X S+ 0 0 49 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.775 112.7 47.0 -66.9 -38.3 -11.3 30.4 22.0 54 569 A R H X S+ 0 0 117 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.787 111.8 51.5 -74.7 -36.1 -12.0 30.1 25.8 55 570 A N H X S+ 0 0 64 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.913 110.3 47.5 -67.3 -45.0 -9.2 27.5 26.1 56 571 A E H X S+ 0 0 17 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.900 111.5 51.4 -62.3 -44.4 -6.7 29.8 24.4 57 572 A I H X S+ 0 0 12 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.905 110.8 48.2 -60.9 -44.1 -7.7 32.8 26.6 58 573 A A H X S+ 0 0 55 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.860 113.1 47.8 -66.5 -36.7 -7.3 30.8 29.8 59 574 A Y H X S+ 0 0 73 -4,-2.0 4,-2.9 2,-0.2 -2,-0.2 0.954 113.1 47.9 -69.5 -44.1 -3.9 29.6 28.7 60 575 A L H X S+ 0 0 4 -4,-2.8 4,-0.6 1,-0.2 -2,-0.2 0.880 114.0 46.9 -57.7 -48.2 -2.7 33.1 27.8 61 576 A N H < S+ 0 0 75 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.849 116.7 44.0 -64.9 -37.2 -4.0 34.5 31.1 62 577 A K H >< S+ 0 0 74 -4,-1.9 3,-1.0 1,-0.2 4,-0.4 0.945 112.0 51.1 -70.2 -51.3 -2.3 31.7 33.1 63 578 A L H 3X S+ 0 0 0 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.487 88.8 84.9 -69.6 -4.8 1.1 31.7 31.2 64 579 A Q T >< S+ 0 0 26 -4,-0.6 3,-0.6 1,-0.2 -1,-0.2 0.922 90.4 48.4 -54.5 -57.7 1.3 35.6 31.7 65 580 A Q T <4 S+ 0 0 91 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.726 108.0 56.1 -57.8 -34.7 2.9 35.0 35.2 66 581 A H T 34 S+ 0 0 105 -4,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.682 114.7 15.8 -78.3 -28.2 5.5 32.4 33.9 67 582 A S X< - 0 0 5 -4,-1.0 3,-1.0 -3,-0.6 -1,-0.2 -0.946 44.7-152.3-155.3 137.8 7.2 34.4 31.2 68 583 A D T 3 S+ 0 0 76 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.504 96.9 74.7 -79.0 -5.4 7.6 38.0 29.9 69 584 A K T 3 S+ 0 0 17 77,-0.1 78,-2.9 2,-0.1 2,-0.4 0.339 82.2 81.8 -88.1 4.8 8.2 36.5 26.4 70 585 A I B < S-f 147 0B 0 -3,-1.0 78,-0.2 76,-0.2 -3,-0.1 -0.932 98.5 -99.1-106.9 133.6 4.4 35.8 26.2 71 586 A I - 0 0 9 76,-2.2 2,-0.3 -2,-0.4 -2,-0.1 -0.150 41.5-108.8 -51.5 138.2 2.2 38.8 25.2 72 587 A R - 0 0 49 -4,-0.1 16,-1.7 -3,-0.0 2,-0.5 -0.595 25.0-161.7 -75.3 135.2 0.5 40.7 28.1 73 588 A L E +E 87 0A 7 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.997 12.0 177.7-114.8 108.3 -3.3 40.2 28.5 74 589 A Y E - 0 0 127 12,-3.4 2,-0.3 -2,-0.5 13,-0.2 0.804 60.4 -28.2 -84.6 -36.8 -4.4 43.1 30.7 75 590 A D E -E 86 0A 42 11,-1.2 11,-3.1 2,-0.0 -1,-0.4 -0.944 57.1-157.1-170.5 165.8 -8.2 42.5 30.8 76 591 A Y E -E 85 0A 72 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.984 11.3-148.6-154.3 157.4 -11.0 40.9 28.6 77 592 A E E -E 84 0A 36 7,-2.8 7,-2.3 -2,-0.3 2,-0.5 -0.992 18.9-176.0-129.3 115.7 -14.8 41.1 28.1 78 593 A I E +E 83 0A 66 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.981 13.8 154.0-115.9 124.8 -16.5 37.8 26.9 79 594 A T - 0 0 44 3,-2.8 -2,-0.0 -2,-0.5 5,-0.0 -0.654 58.9 -91.7-128.5-170.9 -20.2 37.8 26.1 80 595 A D S S+ 0 0 139 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.695 125.0 38.3 -77.6 -23.0 -22.3 35.5 23.7 81 596 A Q S S+ 0 0 94 1,-0.2 -39,-2.8 -40,-0.1 -38,-0.6 0.715 123.4 10.2 -98.8 -29.8 -21.9 38.0 20.8 82 597 A Y E -D 41 0A 55 -41,-0.2 -3,-2.8 -40,-0.2 2,-0.4 -0.988 47.4-142.4-152.6 163.8 -18.2 39.1 21.3 83 598 A I E -DE 40 78A 6 -43,-1.9 -43,-2.2 -2,-0.3 2,-0.4 -0.983 15.8-172.2-123.9 133.3 -14.8 38.9 22.9 84 599 A Y E -DE 39 77A 41 -7,-2.3 -7,-2.8 -2,-0.4 2,-0.5 -1.000 7.1-172.0-124.3 122.7 -12.7 42.1 23.7 85 600 A M E -DE 38 76A 8 -47,-1.6 -47,-2.3 -2,-0.4 2,-0.7 -0.989 12.8-152.4-123.3 120.8 -9.1 41.4 24.8 86 601 A V E +DE 37 75A 2 -11,-3.1 -12,-3.4 -2,-0.5 -11,-1.2 -0.849 33.1 159.5 -94.1 112.5 -6.9 44.3 26.1 87 602 A M E -DE 36 73A 17 -51,-2.9 -51,-2.1 -2,-0.7 -14,-0.2 -0.732 44.1 -81.1-125.6 176.2 -3.3 43.4 25.5 88 603 A E - 0 0 20 -16,-1.7 2,-0.5 -2,-0.2 -53,-0.2 -0.459 45.3-120.1 -77.6 154.4 0.0 45.1 25.2 89 604 A C - 0 0 23 -55,-0.4 2,-0.1 -2,-0.1 -55,-0.1 -0.833 23.9-155.9 -97.1 132.8 0.9 46.8 21.8 90 605 A G - 0 0 19 -2,-0.5 51,-0.3 1,-0.1 3,-0.1 -0.428 21.0-126.5 -93.1 176.6 3.9 45.6 19.9 91 606 A N S S- 0 0 119 49,-3.6 2,-0.3 1,-0.4 50,-0.1 0.891 82.7 -25.6 -87.8 -47.7 5.9 47.7 17.3 92 607 A I E -G 140 0B 61 48,-0.9 48,-3.2 -3,-0.0 -1,-0.4 -0.968 65.9-102.7-160.3 157.4 5.7 45.1 14.5 93 608 A D E > -G 139 0B 44 -2,-0.3 4,-1.8 46,-0.2 46,-0.3 -0.535 37.6-114.0 -83.7 159.7 5.2 41.3 14.0 94 609 A L H > S+ 0 0 0 44,-2.2 4,-2.5 41,-0.8 42,-0.2 0.845 113.1 54.9 -64.3 -34.5 8.4 39.3 13.1 95 610 A N H > S+ 0 0 26 40,-0.4 4,-2.0 43,-0.3 -1,-0.2 0.939 111.1 43.2 -64.6 -48.0 7.2 38.4 9.6 96 611 A S H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.849 115.8 50.7 -64.2 -37.0 6.5 42.0 8.5 97 612 A W H X S+ 0 0 41 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.929 111.5 44.9 -68.0 -47.6 9.8 43.1 10.1 98 613 A L H < S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.846 112.5 53.0 -65.9 -35.9 12.0 40.4 8.4 99 614 A K H < S+ 0 0 96 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.866 114.2 41.8 -65.7 -40.5 10.2 41.1 5.0 100 615 A K H < S+ 0 0 88 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.902 102.1 82.5 -72.6 -46.2 11.0 44.9 5.2 101 616 A K < - 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0 0 45 -42,-0.0 3,-2.3 0, 0.0 4,-0.5 -0.753 360.0 -79.8-129.8 176.0 5.3 16.3 20.1 174 713 A P T >> S+ 0 0 64 0, 0.0 4,-1.1 0, 0.0 3,-0.9 0.788 126.6 72.7 -53.5 -24.6 7.3 19.4 21.4 175 714 A K H 3> S+ 0 0 47 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.673 85.0 65.7 -63.8 -18.6 9.9 18.5 18.7 176 715 A S H <> S+ 0 0 3 -3,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.878 100.6 48.2 -69.3 -40.0 7.4 19.7 16.0 177 716 A D H <> S+ 0 0 0 -3,-0.9 4,-2.7 -4,-0.5 -2,-0.2 0.818 106.1 59.3 -68.9 -31.6 7.8 23.3 17.4 178 717 A V H X S+ 0 0 1 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.921 105.5 48.2 -62.0 -46.8 11.6 22.8 17.3 179 718 A W H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.920 113.5 47.1 -56.9 -51.7 11.4 22.1 13.5 180 719 A S H X S+ 0 0 2 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.896 112.3 49.3 -60.6 -41.6 9.3 25.3 13.0 181 720 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.860 108.9 53.8 -63.9 -39.2 11.6 27.4 15.1 182 721 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 105.9 52.6 -62.8 -39.2 14.6 26.1 13.1 183 722 A C H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.865 109.9 49.0 -62.2 -39.4 12.9 27.2 9.8 184 723 A I H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.887 113.5 45.8 -68.1 -41.9 12.5 30.8 11.4 185 724 A L H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.876 110.5 54.2 -69.8 -34.5 16.2 30.8 12.4 186 725 A Y H X S+ 0 0 2 -4,-2.4 4,-2.9 2,-0.2 6,-0.5 0.875 109.3 47.9 -64.0 -40.1 17.1 29.5 8.9 187 726 A Y H X S+ 0 0 38 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.953 111.9 49.8 -62.6 -50.9 15.1 32.4 7.3 188 727 A M H < S+ 0 0 9 -4,-2.4 -84,-0.3 2,-0.2 -2,-0.2 0.687 120.2 38.5 -59.6 -23.5 16.9 34.9 9.8 189 728 A T H < S+ 0 0 27 -4,-1.1 -2,-0.2 3,-0.2 -3,-0.2 0.922 130.6 21.1 -91.2 -63.3 20.3 33.3 8.7 190 729 A Y H < S- 0 0 55 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.357 99.4-116.1 -94.8 1.9 20.0 32.6 4.9 191 730 A G S < S+ 0 0 50 -4,-2.2 2,-0.3 -5,-0.3 -4,-0.2 0.465 89.8 59.8 76.4 3.1 17.2 35.0 4.0 192 731 A K S S- 0 0 59 -6,-0.5 -2,-0.3 -5,-0.1 -3,-0.2 -0.965 88.9 -99.2-151.8 159.3 14.8 32.2 2.9 193 732 A T > - 0 0 0 -2,-0.3 3,-1.7 1,-0.1 4,-0.3 -0.441 48.3-100.1 -77.5 157.7 13.0 29.1 4.5 194 733 A P T 3 S+ 0 0 3 0, 0.0 22,-0.3 0, 0.0 3,-0.1 0.752 122.0 26.4 -52.3 -28.0 14.7 25.7 3.7 195 734 A F T > S+ 0 0 0 -34,-0.3 3,-1.6 1,-0.1 12,-0.1 0.072 84.5 116.7-122.0 19.6 12.2 24.8 0.9 196 735 A Q T < + 0 0 83 -3,-1.7 -1,-0.1 1,-0.3 8,-0.0 0.804 67.7 66.8 -57.5 -36.5 11.2 28.4 -0.2 197 736 A Q T 3 S+ 0 0 115 -4,-0.3 2,-0.8 -3,-0.1 -1,-0.3 0.580 81.9 87.5 -63.2 -15.7 12.6 27.8 -3.7 198 737 A I < - 0 0 33 -3,-1.6 6,-0.1 1,-0.2 -1,-0.1 -0.820 54.2-178.4 -93.6 107.1 9.9 25.2 -4.4 199 738 A I + 0 0 91 -2,-0.8 -1,-0.2 4,-0.0 5,-0.1 0.993 61.1 79.8 -63.0 -65.3 6.8 26.9 -5.8 200 739 A N S > S- 0 0 89 1,-0.1 4,-1.9 3,-0.1 5,-0.1 -0.230 70.9-149.9 -50.9 114.6 4.5 23.8 -6.2 201 740 A Q H > S+ 0 0 91 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.858 95.4 52.1 -60.2 -39.1 3.0 22.9 -2.8 202 741 A I H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.960 112.2 44.4 -62.1 -53.3 2.8 19.2 -3.6 203 742 A S H > S+ 0 0 67 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.806 114.0 52.5 -60.9 -31.0 6.5 19.0 -4.7 204 743 A K H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.914 108.6 47.9 -71.6 -44.5 7.4 21.1 -1.6 205 744 A L H X S+ 0 0 44 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.837 111.8 52.6 -64.4 -32.6 5.6 18.7 0.8 206 745 A H H X S+ 0 0 123 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.819 108.5 49.7 -70.8 -33.8 7.3 15.8 -1.0 207 746 A A H < S+ 0 0 8 -4,-1.3 6,-0.2 2,-0.2 -2,-0.2 0.875 106.4 54.6 -73.2 -40.4 10.8 17.5 -0.4 208 747 A I H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.868 115.4 39.1 -61.6 -41.6 10.2 18.1 3.4 209 748 A I H < S+ 0 0 68 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.794 94.0 101.9 -80.5 -25.8 9.5 14.4 4.0 210 749 A D >< - 0 0 62 -4,-1.2 3,-1.1 1,-0.2 25,-0.1 -0.425 52.0-167.6 -63.9 111.3 12.2 13.2 1.5 211 750 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.817 90.0 57.7 -69.8 -29.0 15.3 12.0 3.5 212 751 A N T 3 S+ 0 0 143 1,-0.1 2,-0.9 2,-0.1 -2,-0.1 0.502 86.3 93.7 -77.3 -4.8 17.4 11.8 0.2 213 752 A H S < S- 0 0 61 -3,-1.1 2,-0.4 -6,-0.2 -1,-0.1 -0.808 75.0-147.3 -91.9 100.3 16.5 15.6 -0.2 214 753 A E - 0 0 173 -2,-0.9 2,-0.4 1,-0.0 -2,-0.1 -0.595 4.0-138.3 -77.2 121.1 19.5 17.4 1.3 215 754 A I - 0 0 20 -2,-0.4 2,-0.3 18,-0.1 -20,-0.1 -0.661 26.2-128.5 -74.7 121.5 18.8 20.7 3.1 216 755 A E - 0 0 65 -2,-0.4 -1,-0.0 -22,-0.3 0, 0.0 -0.606 22.9-171.4 -75.6 131.6 21.7 23.0 2.1 217 756 A F - 0 0 40 -2,-0.3 3,-0.1 3,-0.0 -1,-0.1 -0.697 17.0-151.9-121.7 74.6 23.5 24.7 5.0 218 757 A P - 0 0 68 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.165 29.6 -95.5 -51.0 139.6 25.9 27.2 3.3 219 758 A D + 0 0 152 2,-0.1 4,-0.1 7,-0.0 0, 0.0 -0.369 49.5 175.8 -61.9 126.4 29.0 28.0 5.4 220 759 A I - 0 0 36 2,-0.1 6,-0.1 -2,-0.1 5,-0.0 -0.875 45.7-104.9-127.0 157.6 28.7 31.2 7.5 221 760 A P S S+ 0 0 138 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 0.665 107.3 76.3 -60.4 -15.9 31.2 32.8 10.0 222 761 A E > + 0 0 49 1,-0.2 4,-1.5 2,-0.1 -2,-0.1 -0.829 53.6 172.4-101.5 94.1 29.0 31.4 12.9 223 762 A K H > S+ 0 0 93 -2,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.838 81.3 56.6 -66.3 -35.6 29.7 27.7 13.1 224 763 A D H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 27,-0.3 0.866 107.7 48.6 -62.5 -40.9 27.5 27.5 16.4 225 764 A L H > S+ 0 0 3 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.844 110.4 51.2 -67.0 -39.1 24.6 29.0 14.4 226 765 A Q H X S+ 0 0 19 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.898 109.3 50.5 -66.3 -40.2 25.1 26.4 11.6 227 766 A D H X S+ 0 0 78 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.866 107.3 53.1 -65.0 -40.0 25.1 23.6 14.1 228 767 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 5,-0.2 0.935 110.6 48.7 -57.1 -50.0 21.8 24.8 15.7 229 768 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.892 111.1 47.7 -57.8 -47.8 20.2 24.8 12.2 230 769 A K H < S+ 0 0 97 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.855 113.9 49.7 -62.7 -37.1 21.4 21.3 11.4 231 770 A C H < S+ 0 0 32 -4,-2.0 10,-1.5 1,-0.2 3,-0.5 0.768 114.1 42.9 -70.4 -38.0 20.1 20.1 14.8 232 771 A C H < S+ 0 0 0 -4,-1.9 2,-0.4 1,-0.2 -2,-0.2 0.838 108.7 59.8 -76.4 -40.0 16.6 21.6 14.5 233 772 A L < + 0 0 8 -4,-2.2 2,-0.6 -5,-0.2 -1,-0.2 -0.144 69.5 130.4 -89.5 38.6 16.2 20.5 10.9 234 773 A K - 0 0 106 -3,-0.5 6,-0.1 -2,-0.4 5,-0.1 -0.837 52.8-146.4 -92.6 116.3 16.5 16.8 11.5 235 774 A R S S+ 0 0 49 -2,-0.6 -69,-0.2 4,-0.1 -1,-0.1 0.812 83.4 73.9 -54.8 -36.1 13.6 15.0 9.7 236 775 A D S >> S- 0 0 84 1,-0.2 3,-1.7 -71,-0.1 4,-0.6 -0.731 73.5-152.2 -82.8 114.3 13.4 12.2 12.5 237 776 A P G >4 S+ 0 0 34 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.815 97.6 59.0 -55.3 -31.3 11.8 13.8 15.6 238 777 A K G 34 S+ 0 0 73 1,-0.2 -3,-0.0 -3,-0.0 -2,-0.0 0.757 108.4 45.1 -66.6 -27.8 13.8 11.2 17.7 239 778 A Q G <4 S+ 0 0 135 -3,-1.7 2,-0.3 -5,-0.1 -1,-0.2 0.374 95.4 103.5 -95.8 -1.2 17.1 12.6 16.2 240 779 A R S << S- 0 0 5 -3,-0.8 -8,-0.2 -4,-0.6 -9,-0.1 -0.625 77.5-110.2 -87.9 141.7 16.0 16.3 16.7 241 780 A I - 0 0 21 -10,-1.5 2,-0.2 -2,-0.3 -1,-0.1 -0.338 32.5-128.8 -66.7 146.1 17.3 18.5 19.5 242 781 A S > - 0 0 28 1,-0.1 4,-2.2 -2,-0.1 5,-0.1 -0.540 21.4-108.2 -92.5 164.6 14.9 19.5 22.3 243 782 A I H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 3,-0.2 0.954 120.3 51.7 -58.6 -51.0 14.2 23.0 23.7 244 783 A P H 4 S+ 0 0 80 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.865 112.7 47.8 -55.6 -32.0 16.1 22.3 27.0 245 784 A E H >4 S+ 0 0 120 1,-0.2 3,-0.8 2,-0.2 4,-0.3 0.871 109.0 52.2 -74.8 -35.3 19.0 21.2 24.9 246 785 A L H >< S+ 0 0 0 -4,-2.2 3,-0.6 -3,-0.2 6,-0.3 0.795 104.4 57.5 -68.3 -29.9 18.8 24.3 22.6 247 786 A L T 3< S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.603 109.7 44.4 -75.3 -14.1 18.9 26.5 25.8 248 787 A A T < S+ 0 0 74 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.345 89.6 118.3-106.3 -2.4 22.3 25.0 26.8 249 788 A H S X> S- 0 0 17 -3,-0.6 4,-1.2 -4,-0.3 3,-0.9 -0.366 75.6-119.0 -66.0 146.3 23.7 25.2 23.2 250 789 A P H 3> S+ 0 0 54 0, 0.0 4,-3.2 0, 0.0 -1,-0.1 0.798 110.7 65.5 -54.8 -33.9 26.9 27.3 22.6 251 790 A Y H 34 S+ 0 0 0 -27,-0.3 -26,-0.1 1,-0.2 -4,-0.1 0.881 111.6 34.4 -54.8 -42.1 25.0 29.6 20.1 252 791 A V H <4 S+ 0 0 13 -3,-0.9 -1,-0.2 -6,-0.3 -5,-0.1 0.666 130.2 34.1 -85.8 -20.6 22.7 30.8 23.0 253 792 A Q H < S+ 0 0 118 -4,-1.2 -2,-0.2 -5,-0.0 2,-0.2 0.772 87.1 96.2-110.5 -33.9 25.4 30.7 25.8 254 793 A I < 0 0 90 -4,-3.2 -5,-0.0 -5,-0.2 0, 0.0 -0.425 360.0 360.0 -73.7 137.8 28.9 31.6 24.4 255 794 A Q 0 0 219 -2,-0.2 -3,-0.0 0, 0.0 -4,-0.0 -0.728 360.0 360.0 84.3 360.0 30.1 35.2 24.8