==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-MAY-09 3HMO . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.L.H.CHU,L.M.G.CHAVAS,D.H.WILLIAMS,L.TABERNERO,P.A.EYERS . 257 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13667.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 66.5 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 . 44 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 . 4 1.6 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 . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 30.0 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 1 2 1 0 0 1 1 0 0 0 0 0 0 2 0 0 1 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 1 2 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 1 514 A A 0 0 163 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -38.7 -48.9 -16.2 6.5 2 515 A N + 0 0 118 2,-0.0 2,-0.2 11,-0.0 13,-0.1 -0.557 360.0 170.3-147.1 77.1 -48.8 -19.7 4.8 3 516 A E - 0 0 142 11,-0.3 11,-2.4 -2,-0.1 2,-0.3 -0.586 16.5-151.4 -89.0 152.6 -50.5 -19.9 1.4 4 517 A C E -A 13 0A 53 9,-0.2 2,-0.4 -2,-0.2 9,-0.2 -0.850 12.0-153.4-126.4 157.4 -50.1 -22.9 -0.9 5 518 A I E -A 12 0A 13 7,-2.4 7,-2.7 -2,-0.3 2,-0.4 -0.994 13.3-149.1-126.5 136.6 -50.2 -23.9 -4.6 6 519 A S E +A 11 0A 56 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.894 16.5 176.0-105.7 137.2 -51.2 -27.3 -5.9 7 520 A V E > S-A 10 0A 0 3,-2.0 3,-1.5 -2,-0.4 -2,-0.0 -0.913 73.7 -20.8-143.7 111.1 -49.6 -28.7 -9.1 8 521 A K T 3 S- 0 0 114 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.917 128.2 -49.8 53.5 48.8 -50.5 -32.2 -10.2 9 522 A G T 3 S+ 0 0 57 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 -0.014 113.8 117.0 86.9 -29.2 -51.6 -33.2 -6.7 10 523 A R E < -A 7 0A 140 -3,-1.5 -3,-2.0 1,-0.0 2,-0.3 -0.601 56.8-142.6 -84.8 125.6 -48.5 -31.9 -5.0 11 524 A I E -A 6 0A 85 -2,-0.4 21,-0.4 -5,-0.2 2,-0.4 -0.674 15.3-168.8 -87.4 136.1 -48.9 -29.1 -2.5 12 525 A Y E -A 5 0A 11 -7,-2.7 -7,-2.4 -2,-0.3 2,-0.4 -0.995 14.3-140.1-126.4 126.4 -46.2 -26.4 -2.4 13 526 A S E -AB 4 30A 22 17,-2.4 17,-2.3 -2,-0.4 2,-0.5 -0.731 23.9-120.9 -88.4 132.6 -45.9 -23.8 0.4 14 527 A I E - B 0 29A 39 -11,-2.4 15,-0.3 -2,-0.4 -11,-0.3 -0.602 27.8-179.8 -78.1 120.7 -45.0 -20.3 -0.8 15 528 A L E - 0 0 99 13,-2.9 2,-0.3 -2,-0.5 14,-0.2 0.907 67.9 -38.0 -82.6 -50.8 -41.8 -19.0 0.9 16 529 A K E - B 0 28A 117 12,-1.4 12,-3.3 0, 0.0 2,-0.5 -0.968 56.6 -99.7-164.7 163.0 -41.9 -15.7 -1.0 17 530 A Q E + B 0 27A 98 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.805 35.4 175.0 -85.8 125.5 -42.8 -14.0 -4.3 18 531 A I E + 0 0 75 8,-2.0 2,-0.3 -2,-0.5 9,-0.2 0.596 58.1 10.2-107.6 -17.0 -39.5 -13.4 -6.2 19 532 A G E + B 0 26A 25 7,-1.8 7,-2.5 2,-0.0 2,-0.3 -0.972 53.9 178.0-157.3 167.4 -40.8 -12.0 -9.5 20 533 A S E + B 0 25A 94 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.981 5.1 165.4-164.0 169.4 -43.8 -10.7 -11.6 21 534 A G - 0 0 36 3,-2.4 2,-1.3 -2,-0.3 3,-0.1 -0.754 65.7 -21.9-158.8-152.6 -45.0 -9.3 -14.9 22 535 A G S S- 0 0 33 1,-0.3 21,-0.1 -2,-0.2 3,-0.1 -0.617 131.5 -31.8 -72.4 94.8 -48.2 -8.7 -16.7 23 536 A S S S+ 0 0 72 -2,-1.3 20,-1.9 1,-0.2 2,-0.4 0.646 118.9 112.1 63.7 18.9 -50.4 -11.2 -14.9 24 537 A S E - C 0 42A 20 18,-0.2 -3,-2.4 -3,-0.1 2,-0.3 -0.975 43.8-175.8-119.8 136.8 -47.4 -13.5 -14.3 25 538 A K E -BC 20 41A 83 16,-2.0 16,-3.5 -2,-0.4 2,-0.4 -0.965 12.8-153.2-131.2 146.1 -45.9 -14.2 -10.9 26 539 A V E -BC 19 40A 40 -7,-2.5 -8,-2.0 -2,-0.3 -7,-1.8 -0.987 16.9-171.0-122.0 131.0 -42.9 -16.2 -9.8 27 540 A F E -BC 17 39A 18 12,-2.6 12,-2.7 -2,-0.4 2,-0.5 -0.932 26.1-132.5-122.5 142.5 -42.7 -17.7 -6.3 28 541 A Q E +BC 16 38A 34 -12,-3.3 -13,-2.9 -2,-0.4 -12,-1.4 -0.844 43.7 176.3 -81.4 126.9 -40.1 -19.5 -4.2 29 542 A V E -BC 14 37A 0 8,-2.9 8,-2.7 -2,-0.5 2,-0.4 -0.923 27.0-143.3-135.7 157.5 -41.8 -22.5 -2.8 30 543 A L E -BC 13 36A 30 -17,-2.3 -17,-2.4 -2,-0.3 6,-0.2 -0.961 17.3-142.0-119.6 139.7 -41.1 -25.6 -0.8 31 544 A N > - 0 0 19 4,-1.9 3,-2.7 -2,-0.4 -19,-0.1 -0.264 44.8 -77.5 -87.0-178.3 -42.6 -29.0 -1.4 32 545 A E T 3 S+ 0 0 108 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.0 0.843 135.4 48.2 -46.5 -42.5 -43.7 -31.6 1.3 33 546 A K T 3 S- 0 0 158 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.280 121.2-108.3 -84.4 9.9 -40.0 -32.6 1.9 34 547 A K < + 0 0 147 -3,-2.7 2,-0.4 1,-0.2 -2,-0.1 0.799 66.6 154.3 62.2 33.8 -39.0 -28.9 2.2 35 548 A Q - 0 0 79 1,-0.0 -4,-1.9 0, 0.0 -1,-0.2 -0.774 42.9-120.1 -88.5 136.1 -37.2 -28.9 -1.2 36 549 A I E +C 30 0A 78 -2,-0.4 55,-0.5 -6,-0.2 2,-0.3 -0.534 38.8 162.0 -85.7 140.6 -37.0 -25.5 -2.9 37 550 A Y E -C 29 0A 35 -8,-2.7 -8,-2.9 -2,-0.2 2,-0.5 -0.948 36.1-121.9-143.3 162.8 -38.5 -24.7 -6.3 38 551 A A E -CD 28 89A 12 51,-3.0 51,-3.2 -2,-0.3 2,-0.6 -0.966 24.6-160.3-105.2 124.7 -39.6 -21.7 -8.3 39 552 A I E -CD 27 88A 0 -12,-2.7 -12,-2.6 -2,-0.5 2,-0.6 -0.942 1.4-159.0-105.2 118.2 -43.2 -21.7 -9.4 40 553 A K E -CD 26 87A 84 47,-2.1 47,-2.2 -2,-0.6 2,-0.4 -0.876 10.4-161.9 -91.7 119.6 -44.1 -19.5 -12.3 41 554 A Y E -CD 25 86A 40 -16,-3.5 -16,-2.0 -2,-0.6 2,-0.4 -0.869 6.2-171.4-100.1 134.1 -47.8 -18.7 -12.3 42 555 A V E -CD 24 85A 8 43,-2.8 43,-2.5 -2,-0.4 2,-0.6 -0.997 15.2-146.7-126.2 128.8 -49.5 -17.5 -15.5 43 556 A N E - D 0 84A 40 -20,-1.9 3,-0.3 -2,-0.4 41,-0.2 -0.856 15.3-177.2 -91.7 120.3 -53.1 -16.2 -15.7 44 557 A L > + 0 0 7 39,-2.5 3,-1.8 -2,-0.6 40,-0.2 0.421 49.5 106.1 -97.7 -0.2 -54.6 -17.1 -19.1 45 558 A E T 3 S+ 0 0 134 38,-0.6 -1,-0.2 1,-0.3 39,-0.1 0.667 90.0 33.2 -67.8 -19.9 -58.0 -15.4 -18.8 46 559 A E T 3 S+ 0 0 192 -3,-0.3 2,-0.3 2,-0.1 -1,-0.3 0.311 92.8 117.4-108.5 5.2 -57.3 -12.5 -21.2 47 560 A A < - 0 0 28 -3,-1.8 2,-0.1 1,-0.1 -3,-0.0 -0.576 56.7-140.3 -79.7 131.4 -54.9 -14.4 -23.5 48 561 A D > - 0 0 75 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.288 30.8 -97.7 -80.8 173.2 -55.9 -14.8 -27.1 49 562 A N H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.841 124.4 52.4 -64.7 -35.1 -55.4 -18.0 -29.1 50 563 A Q H > S+ 0 0 134 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 111.6 46.8 -63.4 -43.8 -52.2 -16.7 -30.7 51 564 A T H > S+ 0 0 3 2,-0.2 4,-1.8 1,-0.2 105,-0.4 0.926 112.1 50.2 -65.3 -46.8 -50.8 -15.9 -27.3 52 565 A L H X S+ 0 0 29 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.880 107.2 54.7 -56.9 -44.7 -51.8 -19.3 -25.9 53 566 A D H X S+ 0 0 92 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.907 108.4 48.3 -57.0 -44.8 -50.2 -21.0 -28.9 54 567 A S H X S+ 0 0 13 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.859 111.0 51.5 -65.2 -36.9 -46.9 -19.3 -28.2 55 568 A Y H X S+ 0 0 35 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.891 112.4 44.7 -65.2 -45.2 -47.1 -20.2 -24.5 56 569 A R H X S+ 0 0 112 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.833 112.1 54.1 -65.6 -37.8 -47.7 -23.9 -25.2 57 570 A N H X S+ 0 0 73 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.933 110.6 44.8 -64.1 -46.9 -44.9 -23.8 -27.8 58 571 A E H X S+ 0 0 23 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.896 113.4 50.3 -65.4 -41.4 -42.4 -22.4 -25.3 59 572 A I H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.922 111.5 50.0 -59.6 -45.0 -43.5 -24.9 -22.6 60 573 A A H X S+ 0 0 54 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.906 113.8 43.5 -61.2 -46.1 -43.1 -27.8 -25.2 61 574 A Y H X S+ 0 0 73 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.927 113.0 51.5 -67.8 -44.8 -39.6 -26.7 -26.2 62 575 A L H X S+ 0 0 8 -4,-2.8 4,-1.1 1,-0.2 13,-0.2 0.912 111.1 50.0 -55.2 -42.5 -38.5 -26.1 -22.6 63 576 A N H < S+ 0 0 66 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.879 118.0 37.4 -65.2 -40.0 -39.8 -29.5 -21.7 64 577 A K H >< S+ 0 0 95 -4,-1.8 3,-1.1 1,-0.1 4,-0.2 0.917 114.3 51.1 -77.2 -48.4 -37.9 -31.3 -24.6 65 578 A L H >X S+ 0 0 0 -4,-3.2 3,-1.5 1,-0.2 4,-0.7 0.665 91.0 76.1 -72.5 -17.1 -34.7 -29.3 -24.7 66 579 A Q T 3< S+ 0 0 16 -4,-1.1 -1,-0.2 -5,-0.3 6,-0.2 0.743 88.4 60.4 -68.8 -23.1 -33.8 -29.6 -21.0 67 580 A Q T <4 S+ 0 0 152 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.623 102.7 54.3 -72.6 -16.5 -32.7 -33.3 -21.6 68 581 A H T <4 S+ 0 0 102 -3,-1.5 2,-0.3 1,-0.3 -2,-0.2 0.658 118.9 16.9 -95.3 -20.2 -30.1 -32.0 -24.0 69 582 A S >< - 0 0 7 -4,-0.7 3,-0.8 -3,-0.2 -1,-0.3 -0.959 50.9-149.4-155.5 137.7 -28.3 -29.5 -21.8 70 583 A D T 3 S+ 0 0 93 -2,-0.3 4,-0.1 1,-0.2 -4,-0.1 0.304 95.5 75.9 -84.5 5.6 -28.1 -28.8 -18.0 71 584 A K T 3 S+ 0 0 20 2,-0.1 78,-2.7 77,-0.1 2,-0.5 0.161 81.1 84.9 -95.6 12.1 -27.5 -25.1 -18.9 72 585 A I B < S-f 149 0B 2 -3,-0.8 78,-0.2 76,-0.2 -3,-0.1 -0.973 98.1-101.2-110.5 131.1 -31.3 -25.0 -19.6 73 586 A I - 0 0 2 76,-2.4 2,-0.4 -2,-0.5 -2,-0.1 -0.172 40.5-111.7 -50.0 136.0 -33.5 -24.4 -16.6 74 587 A R - 0 0 94 -4,-0.1 16,-1.8 -7,-0.0 2,-0.7 -0.632 23.0-160.8 -77.1 124.5 -35.1 -27.5 -15.3 75 588 A L E +E 89 0A 1 -2,-0.4 14,-0.2 -13,-0.2 3,-0.1 -0.936 12.0 178.7-100.2 107.1 -38.9 -27.8 -15.7 76 589 A Y E - 0 0 96 12,-2.5 2,-0.3 -2,-0.7 13,-0.2 0.862 60.4 -28.7 -78.6 -38.8 -39.9 -30.5 -13.2 77 590 A D E -E 88 0A 52 11,-1.3 11,-2.6 2,-0.0 2,-0.3 -0.973 55.6-155.6-167.2 164.7 -43.6 -30.4 -13.8 78 591 A Y E -E 87 0A 69 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.980 9.6-151.1-155.9 149.8 -46.5 -28.2 -14.9 79 592 A E E -E 86 0A 37 7,-2.3 7,-2.6 -2,-0.3 2,-0.4 -0.985 20.3-177.8-117.7 126.4 -50.2 -27.8 -14.6 80 593 A I E +E 85 0A 74 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.976 10.4 156.3-133.6 116.9 -52.1 -26.2 -17.5 81 594 A T - 0 0 44 3,-2.5 -37,-0.1 -2,-0.4 -2,-0.0 -0.652 59.0 -90.2-121.1-176.7 -55.8 -25.4 -17.6 82 595 A D S S+ 0 0 131 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.704 125.4 39.9 -67.9 -19.6 -57.9 -22.9 -19.6 83 596 A Q S S+ 0 0 99 1,-0.2 -39,-2.5 -39,-0.1 -38,-0.6 0.757 121.3 7.5-100.8 -34.1 -57.5 -20.4 -16.7 84 597 A Y E -D 43 0A 63 -41,-0.2 -3,-2.5 -40,-0.2 2,-0.4 -0.972 48.8-142.9-149.7 158.1 -53.9 -20.7 -15.5 85 598 A I E -DE 42 80A 3 -43,-2.5 -43,-2.8 -2,-0.3 2,-0.4 -0.998 14.1-171.8-121.3 132.9 -50.4 -22.2 -16.0 86 599 A Y E -DE 41 79A 48 -7,-2.6 -7,-2.3 -2,-0.4 2,-0.5 -0.998 5.1-169.5-117.2 129.1 -48.2 -23.3 -13.1 87 600 A M E -DE 40 78A 13 -47,-2.2 -47,-2.1 -2,-0.4 2,-0.7 -0.974 11.6-152.7-120.4 120.1 -44.6 -24.3 -13.9 88 601 A V E +DE 39 77A 0 -11,-2.6 -12,-2.5 -2,-0.5 -11,-1.3 -0.831 30.4 168.4 -91.4 112.7 -42.5 -26.0 -11.2 89 602 A M E -DE 38 75A 21 -51,-3.2 -51,-3.0 -2,-0.7 -14,-0.2 -0.804 40.5 -86.6-124.5 161.7 -38.8 -25.1 -12.1 90 603 A E - 0 0 29 -16,-1.8 2,-0.4 -2,-0.3 -53,-0.2 -0.373 47.5-118.9 -66.6 147.2 -35.5 -25.4 -10.3 91 604 A C - 0 0 24 -55,-0.5 2,-0.2 -62,-0.1 -1,-0.1 -0.724 30.2-167.8 -94.9 138.8 -34.6 -22.5 -8.0 92 605 A G - 0 0 16 -2,-0.4 51,-0.3 51,-0.1 3,-0.1 -0.578 28.9-116.9-115.3 179.4 -31.6 -20.3 -8.6 93 606 A N S S- 0 0 115 49,-3.1 2,-0.3 1,-0.3 50,-0.1 0.927 81.7 -35.8 -80.0 -50.3 -29.6 -17.7 -6.6 94 607 A I E -G 142 0B 37 48,-0.8 48,-2.9 0, 0.0 -1,-0.3 -0.955 64.1 -94.5-173.1 151.0 -30.2 -14.6 -8.8 95 608 A D E > -G 141 0B 41 -2,-0.3 4,-1.7 46,-0.3 46,-0.3 -0.412 38.9-111.3 -78.7 162.2 -30.5 -13.7 -12.5 96 609 A L H > S+ 0 0 0 44,-2.9 4,-2.5 41,-0.8 42,-0.2 0.859 114.0 54.3 -64.1 -37.9 -27.4 -12.5 -14.4 97 610 A N H > S+ 0 0 44 40,-0.4 4,-2.3 43,-0.3 -1,-0.2 0.955 109.3 45.6 -60.3 -53.6 -28.6 -8.9 -14.8 98 611 A S H > S+ 0 0 39 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.844 115.0 48.9 -59.2 -38.1 -29.2 -8.3 -11.1 99 612 A W H < S+ 0 0 29 -4,-1.7 3,-0.5 1,-0.2 -1,-0.2 0.903 111.2 49.3 -67.9 -44.1 -25.9 -9.9 -10.2 100 613 A L H >< S+ 0 0 10 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.845 105.5 58.4 -63.0 -36.4 -24.1 -7.7 -12.9 101 614 A K H 3< S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.782 111.7 40.0 -65.7 -29.2 -25.7 -4.5 -11.6 102 615 A K T 3< S+ 0 0 148 -4,-0.9 2,-0.5 -3,-0.5 -1,-0.3 -0.068 95.7 95.6-111.6 31.3 -24.3 -5.0 -8.1 103 616 A K < - 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0 0 73 1,-0.1 3,-0.2 3,-0.0 43,-0.0 -0.563 17.7-152.6 -96.6 156.5 -33.5 -2.0 -23.9 163 687 A V S > S+ 0 0 30 -2,-0.2 3,-1.1 1,-0.1 -1,-0.1 0.142 71.3 107.7-101.7 14.6 -32.3 -2.1 -27.5 164 688 A N T 3 S+ 0 0 16 1,-0.2 35,-0.3 36,-0.0 -1,-0.1 0.747 82.8 41.5 -64.0 -25.8 -28.7 -2.2 -26.2 165 689 A Y T 3 S+ 0 0 20 -3,-0.2 -1,-0.2 32,-0.1 22,-0.2 0.363 87.2 120.7-103.7 2.3 -28.4 -5.9 -27.3 166 690 A M < - 0 0 59 -3,-1.1 -32,-0.1 -32,-0.1 -3,-0.1 -0.498 59.2-129.2 -77.2 132.7 -30.2 -5.6 -30.6 167 691 A P >> - 0 0 7 0, 0.0 3,-1.0 0, 0.0 4,-0.9 -0.494 16.3-119.6 -80.1 153.1 -28.3 -6.6 -33.8 168 692 A P H >> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 3,-0.6 0.831 109.9 58.0 -63.4 -37.2 -28.1 -4.3 -36.8 169 693 A E H 3> S+ 0 0 21 70,-0.3 4,-1.5 1,-0.2 11,-0.0 0.738 101.6 56.9 -67.3 -23.5 -29.7 -6.8 -39.3 170 694 A A H <4 S+ 0 0 18 -3,-1.0 -1,-0.2 2,-0.2 -4,-0.0 0.819 113.0 41.4 -69.2 -32.2 -32.8 -6.9 -37.0 171 695 A I H << S+ 0 0 26 -4,-0.9 3,-0.3 -3,-0.6 -2,-0.2 0.821 115.3 48.1 -85.2 -37.4 -33.0 -3.1 -37.4 172 696 A K H < S+ 0 0 115 -4,-2.5 2,-1.5 1,-0.2 -2,-0.2 0.832 102.3 64.8 -72.2 -34.2 -32.2 -3.0 -41.2 173 697 A D < 0 0 119 -4,-1.5 -1,-0.2 -5,-0.2 -4,-0.1 -0.313 360.0 360.0 -83.7 53.3 -34.8 -5.8 -41.9 174 698 A M 0 0 178 -2,-1.5 -3,-0.0 -3,-0.3 -4,-0.0 -0.906 360.0 360.0-131.6 360.0 -37.6 -3.5 -40.8 175 ! 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 0.0 176 711 A I 0 0 123 0, 0.0 -45,-0.0 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 116.8 -32.6 -12.8 -38.6 177 712 A S >> - 0 0 41 -44,-0.0 3,-1.8 0, 0.0 4,-0.6 -0.784 360.0 -68.7-149.7 179.8 -30.7 -16.0 -38.0 178 713 A P H >> S+ 0 0 63 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.781 125.5 68.7 -52.2 -28.2 -28.6 -17.8 -35.3 179 714 A K H 3> S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 66,-0.1 0.783 87.5 66.6 -59.9 -28.6 -26.0 -15.1 -35.9 180 715 A S H <> S+ 0 0 3 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.881 99.4 49.6 -61.0 -38.7 -28.4 -12.6 -34.3 181 716 A D H - 0 0 0 -2,-0.3 3,-1.8 -6,-0.1 4,-0.3 -0.577 45.5 -98.8 -90.9 161.5 -22.7 -2.5 -23.5 198 733 A P T 3 S+ 0 0 4 0, 0.0 22,-0.3 0, 0.0 3,-0.1 0.724 119.2 24.8 -57.3 -29.4 -21.3 -1.3 -26.9 199 734 A F T > S+ 0 0 0 -35,-0.3 3,-1.2 1,-0.1 12,-0.1 0.124 84.2 117.3-120.7 19.2 -23.8 1.6 -27.5 200 735 A Q T < + 0 0 81 -3,-1.8 -1,-0.1 1,-0.2 8,-0.1 0.773 67.4 64.3 -59.0 -31.0 -24.8 2.3 -23.9 201 736 A Q T 3 S+ 0 0 96 -4,-0.3 2,-0.5 -3,-0.1 -1,-0.2 0.751 81.2 88.0 -70.6 -24.6 -23.5 5.9 -23.9 202 737 A I < - 0 0 32 -3,-1.2 -3,-0.0 1,-0.2 6,-0.0 -0.650 56.4-175.9 -77.3 118.9 -26.0 7.0 -26.6 203 738 A I + 0 0 134 -2,-0.5 2,-0.6 5,-0.0 -1,-0.2 0.810 60.0 81.7 -93.8 -31.0 -29.1 8.2 -24.8 204 739 A N S > S- 0 0 89 1,-0.2 4,-2.9 2,-0.0 5,-0.1 -0.682 71.4-150.3 -73.5 118.6 -31.5 9.0 -27.7 205 740 A Q H > S+ 0 0 87 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.819 94.4 53.8 -62.6 -35.8 -32.9 5.6 -28.8 206 741 A I H > S+ 0 0 115 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 112.2 44.2 -63.6 -48.9 -33.3 6.6 -32.4 207 742 A S H > S+ 0 0 56 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.927 111.2 55.0 -58.2 -47.5 -29.6 7.6 -32.6 208 743 A K H X S+ 0 0 12 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.917 109.1 47.0 -52.4 -48.6 -28.6 4.4 -30.7 209 744 A L H X S+ 0 0 52 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.916 113.6 48.8 -58.6 -44.8 -30.5 2.4 -33.4 210 745 A H H X S+ 0 0 119 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.879 110.4 50.9 -62.6 -39.7 -28.7 4.5 -36.1 211 746 A A H < S+ 0 0 7 -4,-3.3 3,-0.3 1,-0.2 -1,-0.2 0.860 106.3 56.0 -64.8 -37.5 -25.3 4.0 -34.4 212 747 A I H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.0 37.0 -64.8 -37.8 -25.9 0.2 -34.2 213 748 A I H < S+ 0 0 42 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.520 94.0 102.4 -91.4 -6.9 -26.5 -0.1 -38.0 214 749 A D >< - 0 0 60 -4,-0.8 3,-1.4 -3,-0.3 25,-0.1 -0.697 52.6-164.4 -87.9 114.2 -23.9 2.5 -39.0 215 750 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.751 90.8 60.7 -68.6 -22.4 -20.6 1.0 -40.3 216 751 A N T 3 S+ 0 0 147 2,-0.1 2,-0.9 1,-0.1 -2,-0.1 0.528 86.1 86.4 -78.4 -9.5 -18.8 4.3 -39.9 217 752 A H S < S- 0 0 53 -3,-1.4 2,-0.4 -6,-0.2 -1,-0.1 -0.860 75.7-154.8 -90.2 106.0 -19.6 4.1 -36.2 218 753 A E - 0 0 172 -2,-0.9 2,-0.3 1,-0.0 -2,-0.1 -0.705 8.5-131.5 -88.4 132.3 -16.7 2.1 -34.9 219 754 A I - 0 0 12 -2,-0.4 2,-0.3 18,-0.1 -20,-0.1 -0.640 25.1-120.8 -81.7 135.2 -17.2 0.1 -31.7 220 755 A E - 0 0 133 -2,-0.3 -1,-0.1 -22,-0.3 0, 0.0 -0.566 27.0-178.6 -78.8 137.7 -14.4 0.6 -29.1 221 756 A F - 0 0 41 -2,-0.3 3,-0.1 13,-0.0 -1,-0.1 -0.648 17.5-156.3-132.5 75.3 -12.4 -2.4 -27.9 222 757 A P - 0 0 59 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 -0.215 33.0 -95.5 -51.4 138.6 -9.9 -1.0 -25.2 223 758 A D + 0 0 131 2,-0.0 4,-0.1 7,-0.0 3,-0.0 -0.340 50.9 176.6 -64.6 135.6 -6.9 -3.2 -24.8 224 759 A I - 0 0 29 2,-0.1 6,-0.1 -3,-0.1 5,-0.0 -0.886 43.4-104.4-135.2 160.7 -7.1 -5.7 -22.0 225 760 A P S S+ 0 0 123 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.917 108.0 69.9 -54.2 -48.9 -4.8 -8.5 -20.7 226 761 A E > + 0 0 41 1,-0.2 4,-1.5 2,-0.1 -2,-0.1 -0.617 59.8 176.3 -75.6 96.7 -7.0 -11.3 -22.2 227 762 A K H > S+ 0 0 117 -2,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.708 79.2 58.3 -73.8 -23.7 -6.4 -10.8 -25.9 228 763 A D H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.865 105.3 50.0 -72.3 -37.8 -8.5 -13.9 -26.7 229 764 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.904 110.1 50.7 -61.9 -44.6 -11.5 -12.2 -25.0 230 765 A Q H X S+ 0 0 9 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.892 110.2 49.7 -60.9 -43.1 -10.9 -9.1 -27.0 231 766 A D H X S+ 0 0 69 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.899 108.3 52.9 -63.0 -44.2 -10.9 -11.1 -30.2 232 767 A V H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.918 109.3 49.8 -56.9 -46.0 -14.1 -12.9 -29.3 233 768 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.926 111.4 47.7 -58.7 -47.5 -15.8 -9.5 -28.7 234 769 A K H < S+ 0 0 94 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.9 50.0 -63.9 -35.2 -14.6 -8.2 -32.1 235 770 A C H >< S+ 0 0 18 -4,-2.2 10,-1.5 1,-0.2 3,-0.7 0.870 112.6 45.0 -69.3 -40.8 -15.8 -11.4 -33.8 236 771 A C H 3< S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -50,-0.2 0.811 109.8 56.1 -72.0 -31.7 -19.3 -11.3 -32.2 237 772 A L T 3< S+ 0 0 7 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.2 0.012 70.6 128.8 -98.8 27.9 -19.9 -7.6 -32.9 238 773 A K < - 0 0 91 -3,-0.7 6,-0.2 1,-0.1 -55,-0.1 -0.752 54.9-143.9 -80.2 121.0 -19.3 -7.6 -36.7 239 774 A R S S+ 0 0 37 -2,-0.6 -70,-0.3 4,-0.1 -1,-0.1 0.815 83.4 76.6 -57.6 -38.1 -22.3 -5.9 -38.3 240 775 A D S >> S- 0 0 84 1,-0.2 4,-1.7 -72,-0.1 3,-0.6 -0.682 73.0-153.2 -75.6 116.5 -22.3 -8.2 -41.3 241 776 A P T 34 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.833 93.5 58.7 -61.3 -33.3 -23.9 -11.5 -40.2 242 777 A K T 34 S+ 0 0 180 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.851 112.2 39.8 -61.5 -36.8 -22.0 -13.5 -42.8 243 778 A Q T <4 S+ 0 0 119 -3,-0.6 -1,-0.2 2,-0.1 -4,-0.1 0.681 95.7 102.5 -87.9 -20.0 -18.7 -12.2 -41.4 244 779 A R S < S- 0 0 2 -4,-1.7 -8,-0.2 -6,-0.2 -9,-0.1 -0.339 83.0-102.8 -62.1 143.8 -19.8 -12.6 -37.8 245 780 A I - 0 0 20 -10,-1.5 2,-0.1 -13,-0.1 -1,-0.1 -0.341 33.8-128.4 -69.2 148.7 -18.5 -15.6 -36.0 246 781 A S > - 0 0 29 1,-0.1 4,-1.8 -64,-0.0 5,-0.1 -0.410 20.9-109.9 -92.0 170.4 -20.8 -18.7 -35.4 247 782 A I H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.911 119.7 49.1 -69.1 -44.7 -21.5 -20.5 -32.1 248 783 A P H > S+ 0 0 77 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.892 111.2 51.1 -60.6 -39.7 -19.6 -23.7 -33.2 249 784 A E H >4 S+ 0 0 104 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.897 110.1 50.5 -57.8 -42.0 -16.7 -21.4 -34.1 250 785 A L H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 6,-0.3 0.804 103.5 58.1 -67.1 -31.9 -17.0 -19.8 -30.7 251 786 A L H 3< S+ 0 0 51 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.728 110.2 43.9 -71.2 -22.5 -16.9 -23.2 -28.9 252 787 A A T << S+ 0 0 74 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.317 88.3 122.6 -98.4 2.9 -13.5 -23.9 -30.5 253 788 A H S X> S- 0 0 14 -3,-0.8 4,-1.5 -4,-0.1 3,-1.1 -0.407 73.0-123.4 -69.6 141.7 -12.2 -20.4 -29.8 254 789 A P H 3> S+ 0 0 43 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.745 108.4 70.2 -55.5 -24.4 -9.0 -20.2 -27.7 255 790 A Y H 34 S+ 0 0 3 -27,-0.2 -26,-0.1 1,-0.2 -4,-0.1 0.905 111.4 28.4 -59.3 -43.1 -11.0 -18.1 -25.2 256 791 A V H <4 S+ 0 0 12 -3,-1.1 -1,-0.2 -6,-0.3 -5,-0.1 0.652 129.0 42.1 -90.7 -16.8 -13.1 -21.1 -24.1 257 792 A Q H < S+ 0 0 127 -4,-1.5 2,-0.2 -5,-0.0 -2,-0.2 0.871 89.4 85.9 -99.6 -42.1 -10.5 -23.8 -24.9 258 793 A I < 0 0 105 -4,-2.0 -5,-0.0 -5,-0.2 0, 0.0 -0.433 360.0 360.0 -84.9 136.4 -7.0 -22.8 -23.7 259 794 A Q 0 0 202 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 0.022 360.0 360.0 138.9 360.0 -5.4 -23.2 -20.2