==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-MAR-12 3VQU . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KUSAKABE,N.IDE,Y.DAIGO,T.ITOH,K.HIGASHINO,Y.OKANO,G.TADANO . 258 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12787.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 169 65.5 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 . 47 18.2 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 . 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 29.1 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 2 0 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 2 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 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 1 516 A E 0 0 112 0, 0.0 11,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -6.3 14.6 -32.3 0.8 2 517 A C E -A 11 0A 86 9,-0.2 2,-0.3 25,-0.0 9,-0.2 -1.000 360.0-167.2-147.2 144.1 14.8 -28.9 -0.9 3 518 A I E -A 10 0A 14 7,-2.9 7,-2.7 -2,-0.3 2,-0.4 -0.935 8.9-148.0-129.9 156.1 14.9 -27.5 -4.4 4 519 A S E +A 9 0A 50 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 14.6 175.4-129.3 131.7 15.7 -24.2 -6.0 5 520 A V E > S-A 8 0A 0 3,-3.0 3,-1.0 -2,-0.4 -2,-0.0 -0.974 72.4 -22.9-137.5 121.0 14.2 -22.6 -9.1 6 521 A K T 3 S- 0 0 129 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.836 130.0 -44.2 48.3 43.5 15.0 -19.0 -10.4 7 522 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.701 117.0 115.3 78.1 20.4 16.1 -17.9 -6.9 8 523 A R E < -A 5 0A 142 -3,-1.0 -3,-3.0 21,-0.0 2,-0.4 -0.985 53.9-145.3-126.0 135.9 13.1 -19.5 -5.1 9 524 A I E -A 4 0A 92 -2,-0.4 21,-0.4 -5,-0.2 2,-0.4 -0.813 14.5-174.5-105.2 136.0 13.3 -22.4 -2.6 10 525 A Y E -A 3 0A 12 -7,-2.7 -7,-2.9 -2,-0.4 2,-0.5 -0.977 19.6-132.9-129.7 143.0 10.7 -25.2 -2.3 11 526 A S E -AB 2 28A 54 17,-2.6 17,-1.2 -2,-0.4 2,-0.9 -0.841 25.1-121.0 -99.5 126.7 10.4 -28.1 0.2 12 527 A I E + B 0 27A 55 -11,-1.2 15,-0.2 -2,-0.5 3,-0.1 -0.513 30.5 176.9 -70.3 101.5 9.8 -31.6 -1.1 13 528 A L E - 0 0 84 13,-2.5 2,-0.3 -2,-0.9 14,-0.2 0.908 65.8 -45.2 -66.9 -44.2 6.5 -32.8 0.5 14 529 A K E - B 0 26A 96 12,-1.5 12,-4.1 -3,-0.1 2,-0.4 -0.943 57.2 -91.0-178.3 161.5 6.7 -36.0 -1.5 15 530 A Q E + B 0 25A 75 10,-0.3 10,-0.3 -2,-0.3 3,-0.1 -0.743 34.7 172.6 -85.5 133.7 7.3 -37.6 -4.9 16 531 A I E + 0 0 51 8,-3.2 143,-1.9 -2,-0.4 2,-0.3 0.349 60.7 22.3-123.8 0.3 4.1 -38.0 -7.0 17 532 A G E -CB 158 24A 2 7,-1.4 7,-2.2 141,-0.3 2,-0.3 -0.984 54.1-175.7-165.7 156.6 5.5 -39.2 -10.3 18 533 A S E +CB 157 23A 49 139,-1.7 139,-2.0 -2,-0.3 2,-0.3 -0.953 16.4 132.1-150.8 167.2 8.5 -40.9 -12.1 19 534 A G - 0 0 40 3,-1.4 2,-1.3 -2,-0.3 3,-0.2 -0.908 63.1 -6.4 179.9-152.0 9.8 -41.8 -15.6 20 535 A G S S- 0 0 49 135,-0.4 3,-0.1 1,-0.3 134,-0.1 -0.578 129.6 -37.4 -73.1 94.3 12.8 -41.8 -17.9 21 536 A S S S+ 0 0 74 -2,-1.3 20,-3.9 1,-0.2 2,-0.4 0.683 122.8 112.3 58.5 22.2 15.2 -39.7 -15.9 22 537 A S E + D 0 40A 4 18,-0.3 -3,-1.4 -3,-0.2 2,-0.3 -0.968 42.1 178.6-129.9 139.8 12.2 -37.6 -14.8 23 538 A K E -BD 18 39A 41 16,-2.9 16,-3.3 -2,-0.4 2,-0.4 -0.982 17.1-146.6-137.1 148.6 10.4 -37.2 -11.4 24 539 A V E -BD 17 38A 29 -7,-2.2 -8,-3.2 -2,-0.3 -7,-1.4 -0.975 19.1-166.4-117.7 130.2 7.5 -35.1 -10.2 25 540 A F E -BD 15 37A 26 12,-2.8 12,-2.3 -2,-0.4 2,-0.7 -0.925 23.2-131.8-120.2 140.0 7.4 -33.8 -6.6 26 541 A Q E +BD 14 36A 45 -12,-4.1 -13,-2.5 -2,-0.4 -12,-1.5 -0.814 46.7 173.8 -84.8 115.0 4.7 -32.3 -4.4 27 542 A V E -BD 12 35A 0 8,-2.5 8,-2.1 -2,-0.7 2,-0.3 -0.743 29.7-145.9-126.3 167.0 6.3 -29.1 -3.0 28 543 A L E -BD 11 34A 42 -17,-1.2 -17,-2.6 -2,-0.2 6,-0.2 -0.995 14.8-145.3-133.1 141.9 5.8 -25.9 -1.0 29 544 A N > - 0 0 10 4,-1.9 3,-2.7 -2,-0.3 -19,-0.1 -0.253 46.8 -73.2 -95.4-172.8 7.3 -22.5 -1.4 30 545 A E T 3 S+ 0 0 117 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.0 0.822 133.4 46.1 -55.2 -38.5 8.2 -19.9 1.3 31 546 A K T 3 S- 0 0 87 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.130 121.4-105.6 -92.1 19.1 4.6 -19.0 2.1 32 547 A K < + 0 0 69 -3,-2.7 2,-0.3 1,-0.2 -2,-0.2 0.756 67.5 153.6 62.1 31.6 3.6 -22.6 2.2 33 548 A Q - 0 0 97 1,-0.0 -4,-1.9 -4,-0.0 2,-0.3 -0.656 41.9-120.2 -87.5 147.3 1.9 -22.6 -1.2 34 549 A I E +D 28 0A 76 -2,-0.3 55,-0.3 -6,-0.2 2,-0.3 -0.686 38.8 158.4 -97.6 140.2 1.7 -25.8 -3.0 35 550 A Y E -D 27 0A 40 -8,-2.1 -8,-2.5 -2,-0.3 2,-0.5 -0.937 37.2-115.6-148.0 167.7 3.1 -26.6 -6.4 36 551 A A E -DE 26 87A 8 51,-3.4 51,-2.4 -2,-0.3 2,-0.5 -0.962 25.7-164.4-114.7 119.9 4.2 -29.4 -8.6 37 552 A I E -DE 25 86A 0 -12,-2.3 -12,-2.8 -2,-0.5 2,-0.6 -0.913 4.4-157.0-108.8 122.5 7.9 -29.6 -9.7 38 553 A K E -DE 24 85A 27 47,-2.0 47,-1.4 -2,-0.5 2,-0.4 -0.874 9.6-160.7-100.3 116.6 9.0 -31.8 -12.5 39 554 A Y E -DE 23 84A 59 -16,-3.3 -16,-2.9 -2,-0.6 2,-0.5 -0.838 6.6-172.2-100.0 131.8 12.7 -32.8 -12.4 40 555 A V E -DE 22 83A 4 43,-2.0 43,-1.5 -2,-0.4 2,-0.7 -0.970 15.8-145.9-127.6 116.0 14.4 -34.1 -15.6 41 556 A N E - E 0 82A 60 -20,-3.9 41,-0.2 -2,-0.5 40,-0.1 -0.717 8.6-164.4 -81.3 114.3 18.0 -35.5 -15.4 42 557 A L 0 0 20 39,-2.6 40,-0.2 -2,-0.7 -1,-0.1 0.122 360.0 360.0 -89.8 21.3 19.7 -34.5 -18.7 43 558 A E 0 0 109 38,-0.2 -1,-0.1 -22,-0.1 -2,-0.1 -0.814 360.0 360.0-119.2 360.0 22.6 -37.0 -18.3 44 ! 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 45 560 A A 0 0 73 0, 0.0 5,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 105.2 19.5 -38.2 -23.4 46 561 A D > - 0 0 60 1,-0.2 4,-1.8 3,-0.1 5,-0.3 0.016 360.0-104.1 -52.9 157.2 19.7 -38.1 -27.2 47 562 A N H > S+ 0 0 65 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.833 126.5 48.8 -44.0 -30.5 19.8 -34.9 -29.1 48 563 A Q H > S+ 0 0 72 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.863 103.3 53.1 -89.0 -37.8 16.2 -35.9 -29.8 49 564 A T H > S+ 0 0 45 1,-0.2 4,-0.9 2,-0.2 105,-0.2 0.770 112.9 50.8 -63.7 -25.4 14.9 -36.8 -26.4 50 565 A L H X S+ 0 0 24 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.848 106.5 49.6 -82.2 -38.6 16.1 -33.4 -25.5 51 566 A D H X S+ 0 0 94 -4,-1.1 4,-2.2 -5,-0.3 -2,-0.2 0.782 105.8 60.5 -74.5 -22.0 14.5 -31.5 -28.3 52 567 A S H X S+ 0 0 20 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.829 106.3 44.4 -74.2 -34.2 11.3 -33.3 -27.3 53 568 A Y H X S+ 0 0 4 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.845 112.7 53.0 -72.1 -38.5 11.4 -31.8 -23.8 54 569 A R H X S+ 0 0 111 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.901 110.5 47.4 -62.0 -44.0 12.3 -28.4 -25.3 55 570 A N H X S+ 0 0 68 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.918 112.1 49.0 -63.3 -47.1 9.3 -28.6 -27.7 56 571 A E H X S+ 0 0 8 -4,-1.6 4,-2.8 1,-0.2 5,-0.2 0.913 110.3 51.3 -59.1 -47.0 6.9 -29.6 -24.9 57 572 A I H X S+ 0 0 8 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.909 111.7 47.4 -56.9 -46.1 8.1 -26.8 -22.6 58 573 A A H X S+ 0 0 57 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.889 115.0 44.0 -66.0 -43.8 7.6 -24.1 -25.4 59 574 A Y H X S+ 0 0 67 -4,-2.3 4,-3.6 2,-0.2 -2,-0.2 0.905 112.7 52.2 -67.7 -43.3 4.1 -25.3 -26.4 60 575 A L H < S+ 0 0 4 -4,-2.8 -2,-0.2 -5,-0.2 4,-0.2 0.901 113.5 45.1 -58.4 -44.6 3.0 -25.7 -22.7 61 576 A N H >< S+ 0 0 69 -4,-2.1 3,-1.2 -5,-0.2 4,-0.4 0.927 116.1 45.0 -64.6 -49.2 4.1 -22.2 -22.1 62 577 A K H >< S+ 0 0 111 -4,-2.5 3,-0.8 1,-0.2 4,-0.2 0.938 110.5 54.3 -60.7 -46.4 2.5 -20.8 -25.2 63 578 A L G >X S+ 0 0 0 -4,-3.6 4,-0.8 1,-0.2 3,-0.6 0.440 85.3 88.6 -70.4 1.4 -0.7 -22.7 -24.7 64 579 A Q G X4 S+ 0 0 23 -3,-1.2 3,-0.6 1,-0.2 -1,-0.2 0.930 86.7 48.0 -67.4 -46.7 -1.1 -21.2 -21.2 65 580 A Q G <4 S+ 0 0 92 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.573 104.6 62.5 -64.7 -14.9 -2.9 -18.1 -22.4 66 581 A H G <4 S+ 0 0 102 -3,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.754 111.1 11.3 -95.4 -21.4 -5.3 -20.1 -24.5 67 582 A S X< - 0 0 8 -4,-0.8 3,-0.8 -3,-0.6 -1,-0.3 -0.967 44.5-150.7-159.1 136.5 -7.2 -22.2 -22.0 68 583 A D T 3 S+ 0 0 84 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.460 99.1 72.5 -81.4 -3.5 -7.6 -22.6 -18.3 69 584 A K T 3 S+ 0 0 23 77,-0.1 78,-2.8 2,-0.1 2,-0.4 0.445 82.8 82.8 -88.9 -4.6 -8.2 -26.3 -19.0 70 585 A I B < S-g 147 0B 0 -3,-0.8 78,-0.2 76,-0.3 -3,-0.1 -0.862 98.0 -96.8 -98.3 137.3 -4.4 -26.6 -19.7 71 586 A I - 0 0 2 76,-2.7 2,-0.4 -2,-0.4 -2,-0.1 -0.151 41.3-109.6 -57.0 144.6 -2.1 -27.1 -16.7 72 587 A R - 0 0 61 -4,-0.1 16,-2.3 -3,-0.0 2,-0.6 -0.620 24.1-164.7 -84.6 130.1 -0.5 -23.9 -15.4 73 588 A L E +F 87 0A 6 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.901 11.5 174.2-114.1 99.4 3.3 -23.5 -15.8 74 589 A Y E - 0 0 120 12,-1.1 2,-0.3 -2,-0.6 13,-0.2 0.860 64.0 -26.0 -74.7 -38.0 4.4 -20.7 -13.4 75 590 A D E -F 86 0A 61 11,-1.7 11,-2.5 2,-0.0 2,-0.3 -0.976 54.8-159.5-167.2 167.3 8.2 -21.0 -14.1 76 591 A Y E -F 85 0A 69 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.982 10.7-145.6-158.6 148.7 11.0 -23.4 -15.2 77 592 A E E -F 84 0A 34 7,-3.1 7,-3.2 -2,-0.3 2,-0.4 -0.977 19.5-176.0-120.1 123.2 14.7 -23.8 -15.0 78 593 A I E +F 83 0A 77 -2,-0.5 2,-0.2 5,-0.2 5,-0.2 -0.975 12.8 150.5-125.9 125.1 16.7 -25.4 -17.9 79 594 A T - 0 0 43 3,-2.6 -2,-0.0 -2,-0.4 -37,-0.0 -0.708 60.2 -92.2-132.2-174.7 20.4 -26.2 -18.0 80 595 A D S S+ 0 0 133 -2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.621 125.5 39.2 -75.0 -14.0 22.7 -28.7 -19.7 81 596 A Q S S+ 0 0 116 1,-0.3 -39,-2.6 -40,-0.1 2,-0.3 0.778 122.2 3.3-105.0 -37.1 22.4 -30.9 -16.6 82 597 A Y E -E 41 0A 66 -41,-0.2 -3,-2.6 -40,-0.2 2,-0.4 -0.949 48.8-139.0-150.2 163.3 18.7 -30.6 -15.5 83 598 A I E -EF 40 78A 0 -43,-1.5 -43,-2.0 -2,-0.3 2,-0.5 -0.997 15.2-171.1-128.1 127.3 15.2 -29.3 -16.0 84 599 A Y E -EF 39 77A 44 -7,-3.2 -7,-3.1 -2,-0.4 2,-0.5 -0.982 4.0-170.5-115.5 127.4 13.0 -28.0 -13.2 85 600 A M E -EF 38 76A 5 -47,-1.4 -47,-2.0 -2,-0.5 2,-0.6 -0.943 7.9-160.3-122.6 111.3 9.3 -27.2 -14.0 86 601 A V E +EF 37 75A 2 -11,-2.5 -11,-1.7 -2,-0.5 -12,-1.1 -0.807 33.1 148.4 -90.6 118.1 7.1 -25.3 -11.5 87 602 A M E -EF 36 73A 18 -51,-2.4 -51,-3.4 -2,-0.6 -14,-0.2 -0.879 51.5 -60.8-144.5 169.6 3.5 -25.9 -12.3 88 603 A E - 0 0 27 -16,-2.3 -53,-0.1 -2,-0.3 -1,-0.1 -0.261 37.8-158.1 -55.0 140.8 -0.0 -26.3 -10.8 89 604 A C - 0 0 13 -55,-0.3 -1,-0.1 1,-0.1 -54,-0.1 0.724 21.7-176.1 -97.7 -28.2 -0.3 -29.3 -8.4 90 605 A G - 0 0 25 -56,-0.1 51,-0.3 1,-0.1 3,-0.1 -0.042 41.5 -79.2 59.3-164.0 -4.0 -29.9 -8.5 91 606 A N S S- 0 0 136 49,-3.7 2,-0.3 1,-0.4 50,-0.2 0.861 90.8 -35.6 -99.2 -53.2 -5.7 -32.5 -6.3 92 607 A I E -H 140 0B 47 48,-1.0 48,-3.5 4,-0.0 -1,-0.4 -0.956 62.9 -91.2-169.8 153.1 -5.1 -35.9 -8.1 93 608 A D E > -H 139 0B 15 -2,-0.3 4,-2.0 46,-0.3 3,-0.4 -0.457 37.5-118.3 -73.0 148.4 -4.7 -37.4 -11.6 94 609 A L H > S+ 0 0 0 44,-3.0 4,-1.8 41,-0.7 42,-0.2 0.803 109.9 57.5 -57.9 -34.6 -7.9 -38.7 -13.2 95 610 A N H > S+ 0 0 58 40,-0.5 4,-0.9 43,-0.4 -1,-0.2 0.897 109.5 42.3 -66.0 -44.1 -6.5 -42.3 -13.4 96 611 A S H > S+ 0 0 38 -3,-0.4 4,-1.2 1,-0.2 3,-0.3 0.885 115.2 50.6 -68.8 -41.3 -5.8 -42.7 -9.7 97 612 A W H X S+ 0 0 56 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.814 105.1 58.0 -65.7 -33.1 -9.2 -41.0 -8.8 98 613 A L H < S+ 0 0 12 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.799 105.4 49.9 -67.8 -30.9 -11.0 -43.4 -11.2 99 614 A K H < S+ 0 0 108 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.810 110.5 48.8 -77.1 -32.7 -9.7 -46.5 -9.3 100 615 A K H < S+ 0 0 116 -4,-1.2 2,-0.3 2,-0.0 -2,-0.2 0.787 99.2 75.5 -80.2 -30.2 -10.7 -45.2 -5.8 101 616 A K < - 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0 0 30 -3,-0.1 6,-0.1 2,-0.1 -1,-0.0 -0.962 41.5-109.3-144.3 157.4 -28.6 -46.2 -20.1 226 760 A P S S+ 0 0 131 0, 0.0 2,-1.2 0, 0.0 3,-0.1 0.807 104.6 73.3 -58.9 -35.7 -30.9 -43.3 -19.1 227 761 A E > - 0 0 50 1,-0.2 4,-1.4 2,-0.1 -2,-0.1 -0.725 63.4-179.0 -79.2 94.6 -28.7 -40.7 -20.7 228 762 A K H > S+ 0 0 109 -2,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.813 78.1 55.7 -67.4 -33.2 -29.5 -41.4 -24.3 229 763 A D H > S+ 0 0 57 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.922 102.7 54.9 -64.1 -47.3 -27.2 -38.7 -25.6 230 764 A L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.908 105.9 52.9 -51.2 -48.0 -24.2 -40.2 -23.7 231 765 A Q H X S+ 0 0 8 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.882 110.9 47.1 -56.1 -42.6 -24.8 -43.5 -25.5 232 766 A D H X S+ 0 0 73 -4,-1.4 4,-2.9 2,-0.2 5,-0.2 0.918 109.0 53.3 -65.9 -47.2 -24.8 -41.7 -28.8 233 767 A V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.950 111.0 47.6 -49.6 -54.8 -21.6 -39.8 -28.0 234 768 A L H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.896 112.1 48.9 -54.8 -48.2 -19.9 -43.1 -27.1 235 769 A K H < S+ 0 0 85 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.914 115.0 44.9 -58.2 -46.2 -21.1 -44.8 -30.4 236 770 A C H >< S+ 0 0 43 -4,-2.9 10,-1.4 1,-0.2 3,-0.8 0.847 113.2 50.1 -68.5 -37.2 -19.9 -41.8 -32.5 237 771 A C H 3< S+ 0 0 0 -4,-2.8 -50,-0.2 -5,-0.2 -1,-0.2 0.799 106.1 57.5 -71.1 -30.7 -16.5 -41.6 -30.7 238 772 A L T 3< + 0 0 7 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.2 0.000 69.9 135.4 -97.0 28.7 -15.8 -45.3 -31.1 239 773 A K < - 0 0 72 -3,-0.8 6,-0.2 1,-0.1 -55,-0.1 -0.670 47.9-149.4 -72.6 123.1 -16.1 -45.5 -34.9 240 774 A R S S+ 0 0 41 -2,-0.5 -71,-0.3 4,-0.1 -1,-0.1 0.911 83.4 72.7 -61.2 -46.9 -13.1 -47.6 -36.2 241 775 A D S >> S- 0 0 77 1,-0.2 4,-1.4 -73,-0.1 3,-0.8 -0.635 77.5-149.9 -71.2 115.8 -13.0 -45.6 -39.5 242 776 A P T 34 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.755 95.3 56.8 -61.4 -28.0 -11.5 -42.2 -38.6 243 777 A K T 34 S+ 0 0 122 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.802 109.7 45.0 -71.7 -31.7 -13.4 -40.5 -41.4 244 778 A Q T <4 S+ 0 0 136 -3,-0.8 -1,-0.2 2,-0.1 -4,-0.1 0.726 94.7 101.8 -81.0 -25.4 -16.7 -41.8 -40.0 245 779 A R S < S- 0 0 2 -4,-1.4 -8,-0.2 -6,-0.2 -9,-0.1 -0.344 82.3-105.4 -66.3 137.6 -15.7 -40.8 -36.4 246 780 A I - 0 0 20 -10,-1.4 2,-0.2 -13,-0.1 -1,-0.1 -0.208 36.0-127.4 -58.0 149.8 -17.2 -37.6 -34.9 247 781 A S > - 0 0 27 1,-0.1 4,-2.1 -64,-0.1 5,-0.1 -0.583 18.2-110.1 -99.6 165.5 -14.9 -34.6 -34.6 248 782 A I H > S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.900 118.5 50.8 -60.9 -45.6 -14.1 -32.4 -31.6 249 783 A P H 4 S+ 0 0 81 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.844 112.6 48.4 -61.4 -32.9 -15.9 -29.3 -33.0 250 784 A E H >4 S+ 0 0 112 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.852 108.0 54.1 -71.7 -37.8 -19.0 -31.6 -33.6 251 785 A L H >< S+ 0 0 0 -4,-2.1 3,-0.7 1,-0.2 6,-0.3 0.778 102.6 57.6 -67.4 -29.2 -18.7 -33.1 -30.1 252 786 A L T 3< S+ 0 0 52 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.678 109.3 45.9 -73.7 -19.2 -18.8 -29.5 -28.6 253 787 A A T < S+ 0 0 69 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.324 88.3 120.7-103.0 3.9 -22.2 -29.0 -30.3 254 788 A H S X> S- 0 0 23 -3,-0.7 4,-2.5 -4,-0.2 3,-1.1 -0.442 72.6-121.6 -71.8 141.5 -23.6 -32.4 -29.3 255 789 A P H 3> S+ 0 0 48 0, 0.0 4,-3.1 0, 0.0 -1,-0.1 0.809 109.8 63.5 -47.3 -41.0 -26.8 -32.4 -27.2 256 790 A Y H 34 S+ 0 0 6 1,-0.2 5,-0.1 2,-0.2 -26,-0.1 0.866 115.8 30.1 -55.0 -40.0 -25.1 -34.3 -24.3 257 791 A V H <4 S+ 0 0 16 -3,-1.1 -1,-0.2 -6,-0.3 -5,-0.1 0.808 127.3 42.9 -87.8 -34.4 -22.8 -31.3 -23.8 258 792 A Q H < S+ 0 0 110 -4,-2.5 2,-0.6 1,-0.1 -2,-0.2 0.855 104.9 60.8 -85.0 -38.6 -25.2 -28.6 -24.9 259 793 A I S < S- 0 0 107 -4,-3.1 2,-0.3 -5,-0.2 -1,-0.1 -0.844 72.6-146.8-104.3 116.0 -28.5 -29.6 -23.3 260 794 A Q 0 0 156 -2,-0.6 -3,-0.1 -3,-0.0 -4,-0.0 -0.592 360.0 360.0 -81.0 136.0 -28.6 -29.8 -19.5 261 795 A T 0 0 146 -2,-0.3 -34,-0.0 -5,-0.1 -1,-0.0 -0.866 360.0 360.0-121.4 360.0 -30.9 -32.5 -18.0