==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-JUN-08 3DBQ . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.WANG,Y.T.YANG,Y.F.GAO,S.C.ZHU,F.WANG,W.OLD,Q.B.XU, . 259 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 66.4 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 . 40 15.4 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 . 18 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 30.1 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 1 1 1 1 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 2 0 1 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 . 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 1 515 A N 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.3 -23.3 -60.4 32.6 2 516 A E - 0 0 121 1,-0.2 2,-0.4 10,-0.1 11,-0.0 0.892 360.0-168.3 59.3 103.6 -21.5 -57.0 32.5 3 517 A C - 0 0 62 9,-0.1 2,-0.4 7,-0.1 9,-0.2 -0.921 23.5-177.9-140.3 119.4 -24.2 -54.3 33.0 4 518 A I E -A 11 0A 27 7,-2.0 7,-1.5 -2,-0.4 2,-0.4 -0.866 20.7-148.9-104.0 136.4 -24.4 -50.6 32.6 5 519 A S E -A 10 0A 59 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.886 15.2-178.2-111.8 140.3 -27.7 -48.9 33.4 6 520 A V S S- 0 0 0 3,-1.3 72,-0.0 -2,-0.4 -2,-0.0 -0.954 77.2 -31.1-137.3 112.9 -29.0 -45.7 31.8 7 521 A K S S- 0 0 120 -2,-0.4 -1,-0.0 1,-0.2 70,-0.0 0.868 134.7 -35.4 43.2 43.7 -32.3 -44.3 33.1 8 522 A G S S+ 0 0 65 1,-0.2 2,-0.3 0, 0.0 -1,-0.2 0.908 113.7 111.4 81.2 47.1 -33.4 -47.9 33.8 9 523 A R - 0 0 166 2,-0.0 -3,-1.3 22,-0.0 2,-0.3 -0.985 56.0-130.7-152.4 139.0 -31.7 -49.9 31.0 10 524 A I E -A 5 0A 99 -2,-0.3 21,-0.4 -5,-0.2 2,-0.4 -0.696 20.6-177.4 -94.0 141.7 -28.9 -52.5 30.8 11 525 A Y E -A 4 0A 13 -7,-1.5 -7,-2.0 -2,-0.3 2,-0.8 -0.991 21.9-136.7-139.4 126.7 -26.1 -52.3 28.2 12 526 A S E -B 29 0B 41 17,-4.0 17,-1.5 -2,-0.4 -9,-0.1 -0.742 24.7-139.2 -87.4 107.2 -23.3 -54.9 27.8 13 527 A I E +B 28 0B 41 -2,-0.8 15,-0.2 15,-0.2 3,-0.1 -0.196 23.0 178.8 -62.8 153.4 -20.0 -53.2 27.4 14 528 A L E - 0 0 80 13,-2.0 2,-0.2 1,-0.2 14,-0.2 0.570 57.0 -22.9-130.4 -23.8 -17.5 -54.5 24.8 15 529 A K E -B 27 0B 121 12,-0.8 12,-2.0 2,-0.0 -1,-0.2 -0.709 57.7-102.4 169.8 139.1 -14.4 -52.2 24.8 16 530 A Q E -B 26 0B 89 10,-0.2 2,-0.4 -2,-0.2 10,-0.2 -0.278 39.3-149.5 -64.2 156.3 -13.0 -48.8 25.6 17 531 A I E -B 25 0B 66 8,-2.5 8,-0.6 2,-0.1 2,-0.5 -0.995 49.5 -37.6-135.2 139.0 -12.6 -46.6 22.6 18 532 A G S S+ 0 0 82 -2,-0.4 -2,-0.1 6,-0.1 8,-0.0 -0.299 118.2 47.3 54.3-104.3 -10.0 -43.8 21.9 19 533 A S + 0 0 37 -2,-0.5 6,-0.1 1,-0.1 -2,-0.1 0.200 50.0 173.8 -56.4-179.7 -9.7 -42.1 25.3 20 534 A G + 0 0 31 3,-0.2 -1,-0.1 4,-0.1 4,-0.1 0.339 61.8 50.1-167.0 -14.0 -9.2 -43.8 28.6 21 535 A G S S+ 0 0 51 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.572 107.4 17.6-102.1-112.8 -8.6 -41.1 31.2 22 536 A S S S+ 0 0 102 19,-0.1 20,-0.8 23,-0.0 2,-0.2 0.792 134.4 11.0 -27.1 -60.0 -10.5 -38.0 32.1 23 537 A S E S- C 0 41B 0 18,-0.2 2,-0.3 2,-0.0 18,-0.2 -0.653 76.9-143.0-117.4 174.6 -13.6 -39.2 30.2 24 538 A K E - C 0 40B 79 16,-2.8 16,-3.5 -2,-0.2 2,-0.4 -0.954 9.4-168.2-150.7 128.8 -14.4 -42.7 28.8 25 539 A V E -BC 17 39B 33 -8,-0.6 -8,-2.5 -2,-0.3 2,-0.3 -0.946 14.3-178.0-116.2 134.6 -16.2 -43.9 25.7 26 540 A F E -BC 16 38B 34 12,-1.9 12,-2.5 -2,-0.4 2,-0.2 -0.954 27.1-125.1-134.5 152.0 -17.2 -47.6 25.2 27 541 A Q E -BC 15 37B 35 -12,-2.0 -13,-2.0 -2,-0.3 -12,-0.8 -0.610 42.6-179.0 -86.4 152.8 -18.9 -49.7 22.5 28 542 A V E -BC 13 36B 0 8,-2.6 8,-2.1 -15,-0.2 2,-0.4 -0.975 29.5-142.5-154.5 166.9 -21.9 -51.6 23.8 29 543 A L E -BC 12 35B 59 -17,-1.5 -17,-4.0 -2,-0.3 6,-0.2 -0.988 22.8-171.1-131.3 139.4 -24.8 -54.0 23.2 30 544 A N > - 0 0 28 4,-2.2 3,-1.1 -2,-0.4 -19,-0.2 -0.264 43.3 -60.4-113.8-158.1 -28.3 -53.7 24.7 31 545 A E T 3 S+ 0 0 157 -21,-0.4 2,-2.4 1,-0.3 -20,-0.0 0.967 128.7 41.9 -49.2 -79.0 -31.5 -55.8 25.0 32 546 A K T 3 S- 0 0 138 1,-0.2 2,-1.2 -3,-0.0 -1,-0.3 -0.010 119.2-104.9 -67.2 37.5 -32.5 -56.3 21.3 33 547 A K S < S+ 0 0 171 -2,-2.4 -1,-0.2 -3,-1.1 -2,-0.1 0.140 73.7 152.1 60.9 -23.9 -28.8 -57.0 20.6 34 548 A Q - 0 0 74 -2,-1.2 -4,-2.2 -5,-0.2 2,-0.4 -0.026 42.9-131.1 -36.8 127.5 -28.8 -53.5 19.0 35 549 A I E +C 29 0B 78 -6,-0.2 55,-0.5 -3,-0.1 -6,-0.3 -0.753 36.5 159.6 -93.8 134.3 -25.2 -52.2 19.3 36 550 A Y E -C 28 0B 41 -8,-2.1 -8,-2.6 -2,-0.4 2,-0.4 -0.631 34.9-109.9-133.8-167.6 -24.7 -48.6 20.7 37 551 A A E -CD 27 88B 11 51,-2.1 51,-3.6 -10,-0.2 2,-0.6 -1.000 18.4-159.4-136.3 133.9 -22.0 -46.4 22.2 38 552 A I E -CD 26 87B 2 -12,-2.5 -12,-1.9 -2,-0.4 2,-0.3 -0.939 4.9-163.1-117.2 110.3 -21.9 -45.2 25.8 39 553 A K E -CD 25 86B 17 47,-2.3 47,-2.4 -2,-0.6 2,-0.4 -0.727 11.2-162.7 -89.5 143.6 -19.8 -42.1 26.6 40 554 A Y E -CD 24 85B 48 -16,-3.5 -16,-2.8 -2,-0.3 2,-0.5 -0.988 11.8-172.6-133.3 128.5 -19.0 -41.7 30.3 41 555 A V E -CD 23 84B 7 43,-1.8 43,-1.4 -2,-0.4 2,-1.1 -0.974 18.4-144.3-121.0 122.7 -17.8 -38.6 32.1 42 556 A N E - D 0 83B 34 -20,-0.8 3,-0.3 -2,-0.5 4,-0.3 -0.741 12.8-167.9 -86.4 101.3 -16.8 -38.8 35.8 43 557 A L > + 0 0 13 39,-1.2 3,-0.6 -2,-1.1 2,-0.3 0.521 66.2 95.0 -69.2 -4.1 -18.0 -35.4 37.1 44 558 A E T 3 S+ 0 0 145 38,-0.8 -1,-0.2 1,-0.2 38,-0.1 0.087 95.3 35.9 -75.7 28.7 -16.1 -35.9 40.4 45 559 A E T 3 S+ 0 0 126 -3,-0.3 -1,-0.2 -2,-0.3 -2,-0.2 0.357 92.5 113.7-149.1 -20.0 -13.2 -33.9 38.8 46 560 A A < - 0 0 29 -3,-0.6 2,-0.1 -4,-0.3 -3,-0.0 -0.307 54.8-140.5 -69.1 144.0 -15.1 -31.3 36.7 47 561 A D > - 0 0 88 -2,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.431 38.0 -95.2 -91.9 170.3 -15.1 -27.6 37.4 48 562 A N H > S+ 0 0 127 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.935 127.7 48.1 -53.8 -47.9 -18.2 -25.5 36.9 49 563 A Q H > S+ 0 0 107 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.929 112.0 48.0 -59.1 -48.7 -17.2 -24.6 33.4 50 564 A T H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.960 115.2 46.8 -54.6 -53.3 -16.4 -28.2 32.5 51 565 A L H X S+ 0 0 33 -4,-3.0 4,-2.2 1,-0.2 3,-0.3 0.934 113.5 47.4 -52.8 -53.6 -19.7 -29.2 33.9 52 566 A D H X S+ 0 0 79 -4,-3.6 4,-3.0 -5,-0.2 -1,-0.2 0.835 107.6 57.8 -59.4 -34.2 -21.5 -26.4 32.1 53 567 A S H X S+ 0 0 13 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.869 109.0 43.7 -65.5 -39.6 -19.7 -27.3 28.9 54 568 A Y H X S+ 0 0 14 -4,-1.9 4,-2.9 -3,-0.3 -1,-0.2 0.847 114.0 51.3 -72.6 -36.9 -21.1 -30.9 29.0 55 569 A R H X S+ 0 0 114 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.938 114.5 43.4 -62.3 -49.0 -24.6 -29.6 29.9 56 570 A N H X S+ 0 0 71 -4,-3.0 4,-2.3 2,-0.2 5,-0.3 0.897 113.2 51.4 -65.3 -40.7 -24.4 -27.2 27.0 57 571 A E H X S+ 0 0 2 -4,-2.3 4,-3.4 -5,-0.2 5,-0.3 0.973 112.5 46.3 -60.7 -52.3 -23.0 -29.8 24.7 58 572 A I H X S+ 0 0 4 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.922 111.3 51.6 -56.5 -48.5 -25.8 -32.3 25.6 59 573 A A H X S+ 0 0 57 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.974 116.9 38.4 -52.4 -61.2 -28.6 -29.6 25.3 60 574 A Y H X S+ 0 0 74 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.904 115.8 52.2 -57.0 -47.0 -27.4 -28.6 21.8 61 575 A L H X S+ 0 0 0 -4,-3.4 4,-0.7 -5,-0.3 -1,-0.2 0.879 112.4 47.4 -59.5 -36.8 -26.6 -32.1 20.7 62 576 A N H < S+ 0 0 66 -4,-2.9 4,-0.5 -5,-0.3 3,-0.4 0.929 115.4 43.9 -71.0 -43.9 -30.1 -33.2 21.8 63 577 A K H >< S+ 0 0 123 -4,-2.7 3,-0.6 -5,-0.2 4,-0.4 0.900 111.3 51.6 -68.3 -43.0 -31.8 -30.3 20.1 64 578 A L H 3X S+ 0 0 0 -4,-3.3 4,-0.6 1,-0.2 3,-0.4 0.592 86.0 85.2 -75.1 -9.3 -30.0 -30.4 16.8 65 579 A Q T >< S+ 0 0 23 -4,-0.7 3,-1.5 -3,-0.4 -1,-0.2 0.944 89.5 50.9 -54.2 -51.1 -30.6 -34.1 16.2 66 580 A Q T <4 S+ 0 0 161 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.782 103.4 59.3 -59.4 -29.5 -33.9 -33.4 14.7 67 581 A H T 34 S+ 0 0 92 -3,-0.4 2,-0.3 -4,-0.4 -1,-0.3 0.606 117.8 13.2 -78.4 -10.2 -32.5 -30.8 12.3 68 582 A S X< - 0 0 8 -3,-1.5 3,-0.7 -4,-0.6 -1,-0.2 -0.882 43.2-154.3-170.6 137.6 -30.1 -33.3 10.6 69 583 A D T 3 S+ 0 0 77 -2,-0.3 4,-0.1 1,-0.2 -4,-0.1 0.269 94.1 78.1 -88.9 7.9 -29.2 -37.0 10.3 70 584 A K T 3 S+ 0 0 19 -5,-0.1 78,-2.2 2,-0.1 2,-0.4 0.230 82.0 78.2 -99.6 11.3 -25.6 -35.8 9.5 71 585 A I B < S-f 148 0C 0 -3,-0.7 78,-0.2 76,-0.3 -3,-0.1 -0.981 98.7 -96.4-121.5 131.9 -25.1 -35.3 13.3 72 586 A I - 0 0 3 76,-2.6 2,-0.3 -2,-0.4 -2,-0.1 -0.102 45.0-117.1 -44.9 137.4 -24.4 -38.2 15.6 73 587 A R - 0 0 48 -4,-0.1 16,-1.5 -8,-0.0 2,-0.6 -0.645 18.8-159.7 -88.1 139.5 -27.6 -39.4 17.3 74 588 A L E +E 88 0B 5 -2,-0.3 14,-0.2 -13,-0.2 3,-0.1 -0.909 10.5 179.3-115.5 97.7 -28.0 -39.3 21.1 75 589 A Y E - 0 0 113 12,-1.4 2,-0.3 -2,-0.6 13,-0.2 0.792 65.2 -27.9 -72.4 -27.9 -30.8 -41.7 22.0 76 590 A D E -E 87 0B 47 11,-1.4 11,-3.7 2,-0.0 2,-0.3 -0.970 56.1-169.0-175.7 167.4 -30.6 -41.1 25.7 77 591 A Y E -E 86 0B 54 -2,-0.3 2,-0.4 9,-0.3 9,-0.3 -0.975 15.6-137.2-163.3 161.4 -28.3 -40.0 28.5 78 592 A E E -E 85 0B 35 7,-2.8 7,-2.6 -2,-0.3 2,-0.5 -0.988 15.3-164.7-133.4 122.4 -28.3 -39.8 32.3 79 593 A I E +E 84 0B 73 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.927 18.1 157.8-112.4 129.2 -26.9 -36.8 34.2 80 594 A T - 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0 0 29 -55,-0.5 2,-0.7 1,-0.1 -53,-0.1 -0.498 31.2-117.0 -78.1 147.7 -22.0 -46.8 17.4 91 605 A G - 0 0 27 1,-0.2 3,-0.1 -2,-0.2 51,-0.1 -0.772 23.6-174.4 -96.3 115.7 -18.9 -45.9 15.4 92 606 A N S S- 0 0 109 -2,-0.7 2,-0.2 49,-0.7 -1,-0.2 0.960 75.8 -47.5 -62.5 -52.0 -18.1 -47.9 12.3 93 607 A I E -G 141 0C 36 48,-0.8 48,-3.2 4,-0.0 -1,-0.3 -0.836 59.0-105.6 179.1 144.1 -14.8 -46.0 12.0 94 608 A D E >> -G 140 0C 42 46,-0.2 4,-2.2 -2,-0.2 3,-0.8 -0.614 30.5-116.7 -85.2 141.6 -13.7 -42.3 12.3 95 609 A L H 3> S+ 0 0 0 44,-2.2 4,-1.4 41,-0.3 42,-0.2 0.684 113.4 58.7 -45.4 -23.9 -12.8 -40.4 9.1 96 610 A N H 3> S+ 0 0 49 40,-0.4 4,-1.9 43,-0.4 5,-0.3 0.946 107.9 40.5 -75.4 -49.1 -9.3 -40.1 10.6 97 611 A S H <> S+ 0 0 43 -3,-0.8 4,-1.1 1,-0.2 -2,-0.2 0.955 113.6 55.8 -61.1 -50.1 -8.5 -43.7 10.9 98 612 A W H X S+ 0 0 36 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.870 111.0 45.9 -48.7 -44.7 -10.1 -44.4 7.6 99 613 A L H < S+ 0 0 5 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.990 112.7 42.4 -66.4 -67.3 -7.8 -41.9 5.9 100 614 A K H < S+ 0 0 136 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.608 112.5 67.6 -58.8 -7.4 -4.4 -42.7 7.2 101 615 A K H < S+ 0 0 154 -4,-1.1 -2,-0.2 -5,-0.3 -3,-0.1 0.914 112.2 7.7 -74.2 -93.3 -5.5 -46.3 6.7 102 616 A K S < S- 0 0 82 -4,-1.2 3,-0.1 -5,-0.1 0, 0.0 0.182 70.1-147.4 -69.4-159.7 -5.8 -46.7 2.9 103 617 A K + 0 0 108 1,-0.1 -4,-0.1 -3,-0.0 -3,-0.1 -0.153 69.8 69.6-175.7 65.5 -4.7 -44.0 0.5 104 618 A S - 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0 0 70 -4,-1.4 3,-2.7 1,-0.2 25,-0.0 -0.492 56.5-157.8 -69.2 107.7 2.5 -15.8 6.1 215 750 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.784 93.5 56.6 -55.1 -27.6 0.6 -14.3 3.1 216 751 A N T 3 S+ 0 0 136 1,-0.2 2,-1.6 2,-0.1 -2,-0.1 0.471 81.0 92.1 -84.2 -3.3 3.8 -15.0 1.0 217 752 A H S < S- 0 0 57 -3,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.556 74.8-154.1 -91.1 74.5 3.8 -18.6 1.9 218 753 A E - 0 0 169 -2,-1.6 -2,-0.1 1,-0.1 2,-0.1 -0.256 7.3-135.0 -53.4 117.0 1.8 -19.7 -1.1 219 754 A I - 0 0 24 18,-0.1 2,-0.3 -2,-0.1 -20,-0.1 -0.409 27.1-117.5 -68.1 151.7 -0.1 -22.9 -0.4 220 755 A E - 0 0 137 -22,-0.3 -1,-0.1 -2,-0.1 0, 0.0 -0.749 25.1-171.0-100.8 144.5 0.3 -25.4 -3.3 221 756 A F - 0 0 38 -2,-0.3 2,-0.3 13,-0.0 3,-0.1 -0.697 14.6-151.3-133.8 83.1 -2.5 -26.7 -5.5 222 757 A P - 0 0 50 0, 0.0 -2,-0.0 0, 0.0 8,-0.0 -0.340 31.8-110.6 -55.7 111.5 -1.4 -29.5 -7.8 223 758 A D + 0 0 121 -2,-0.3 3,-0.1 1,-0.0 4,-0.1 -0.091 48.6 170.3 -45.4 138.9 -3.6 -29.4 -10.9 224 759 A I - 0 0 34 1,-0.1 6,-0.1 -3,-0.1 -1,-0.0 -0.884 44.8 -94.8-145.1 172.3 -6.0 -32.4 -11.1 225 760 A P S S+ 0 0 119 0, 0.0 2,-1.6 0, 0.0 -1,-0.1 0.979 105.8 70.3 -58.5 -63.7 -9.0 -33.5 -13.1 226 761 A E > + 0 0 42 1,-0.2 4,-1.4 2,-0.1 3,-0.4 -0.367 62.3 178.7 -59.3 89.0 -11.9 -32.3 -10.9 227 762 A K H > S+ 0 0 111 -2,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.773 77.3 60.0 -66.2 -26.5 -11.4 -28.6 -11.5 228 763 A D H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 103.7 52.0 -67.0 -37.9 -14.3 -27.8 -9.3 229 764 A L H > S+ 0 0 0 -3,-0.4 4,-2.2 1,-0.2 -2,-0.2 0.871 105.5 54.4 -64.0 -40.3 -12.5 -29.5 -6.5 230 765 A Q H X S+ 0 0 16 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.904 109.2 48.2 -61.6 -42.5 -9.4 -27.4 -7.1 231 766 A D H X S+ 0 0 75 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.903 108.1 53.8 -67.0 -42.7 -11.5 -24.2 -6.8 232 767 A V H X S+ 0 0 0 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.966 109.8 48.7 -54.1 -54.2 -13.2 -25.2 -3.6 233 768 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.909 112.4 47.1 -51.9 -49.7 -9.8 -25.9 -2.0 234 769 A K H < S+ 0 0 93 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.897 115.5 45.4 -62.5 -41.1 -8.4 -22.6 -3.1 235 770 A C H >< S+ 0 0 18 -4,-2.7 10,-1.4 1,-0.2 3,-0.9 0.854 111.2 52.3 -72.1 -34.8 -11.5 -20.7 -1.9 236 771 A C H 3< S+ 0 0 0 -4,-3.1 -50,-0.2 -5,-0.3 -1,-0.2 0.760 111.2 50.1 -71.2 -23.0 -11.6 -22.5 1.4 237 772 A L T 3< + 0 0 8 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.2 0.176 69.7 131.3-104.5 19.0 -8.0 -21.6 2.0 238 773 A K < - 0 0 87 -3,-0.9 6,-0.2 1,-0.2 5,-0.1 -0.590 56.7-138.7 -69.9 127.0 -7.9 -17.9 1.4 239 774 A R S S+ 0 0 37 -2,-0.4 -71,-0.2 1,-0.1 -1,-0.2 0.698 85.9 78.4 -61.5 -21.1 -6.1 -16.5 4.4 240 775 A D S >> S- 0 0 83 1,-0.2 4,-2.4 -73,-0.1 3,-1.8 -0.811 71.1-154.7 -94.2 110.2 -8.4 -13.6 4.7 241 776 A P T 34 S+ 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.801 95.6 58.1 -52.8 -30.3 -11.7 -14.8 6.4 242 777 A K T 34 S+ 0 0 181 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.803 112.8 40.4 -71.2 -25.8 -13.6 -12.0 4.7 243 778 A Q T <4 S+ 0 0 119 -3,-1.8 -1,-0.2 -5,-0.1 3,-0.1 0.753 93.8 105.3 -88.7 -29.9 -12.4 -13.4 1.4 244 779 A R S < S- 0 0 2 -4,-2.4 -8,-0.2 -6,-0.2 -9,-0.1 -0.230 81.5-106.8 -55.6 137.3 -12.8 -17.0 2.4 245 780 A I - 0 0 17 -10,-1.4 2,-0.2 -13,-0.2 -1,-0.1 -0.171 37.1-125.4 -60.9 158.0 -15.8 -18.7 0.8 246 781 A S > - 0 0 24 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.592 18.7-108.7-105.1 170.2 -18.8 -19.3 3.1 247 782 A I H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.926 120.3 50.5 -61.8 -45.6 -20.8 -22.5 4.0 248 783 A P H > S+ 0 0 77 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 0.928 111.1 47.7 -58.9 -44.7 -23.8 -21.2 2.0 249 784 A E H >4 S+ 0 0 107 1,-0.2 3,-0.9 2,-0.2 4,-0.3 0.884 110.8 53.1 -62.8 -37.2 -21.6 -20.4 -1.1 250 785 A L H >< S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.3 6,-0.2 0.842 102.4 56.7 -67.5 -33.7 -20.1 -23.9 -0.8 251 786 A L H 3< S+ 0 0 52 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.625 111.9 44.2 -72.8 -11.1 -23.5 -25.6 -0.7 252 787 A A T << S+ 0 0 69 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.382 89.6 120.6-110.2 -0.2 -24.1 -23.9 -4.1 253 788 A H S X> S- 0 0 12 -3,-0.9 4,-2.2 -4,-0.3 3,-1.8 -0.361 72.3-119.6 -71.7 143.3 -20.7 -24.6 -5.5 254 789 A P H 3> S+ 0 0 53 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.877 112.2 61.9 -44.7 -49.4 -20.3 -26.7 -8.8 255 790 A Y H 34 S+ 0 0 2 1,-0.2 -26,-0.1 -27,-0.2 -27,-0.1 0.814 116.3 32.6 -50.5 -32.3 -18.3 -29.4 -7.0 256 791 A V H <4 S+ 0 0 11 -3,-1.8 -1,-0.2 -6,-0.2 -5,-0.1 0.729 128.1 37.1 -97.1 -27.9 -21.4 -30.0 -4.8 257 792 A Q H < S+ 0 0 114 -4,-2.2 -2,-0.2 -5,-0.1 2,-0.1 0.913 92.8 81.4 -92.3 -53.3 -24.2 -29.2 -7.3 258 793 A I S < S- 0 0 100 -4,-1.7 2,-0.6 -5,-0.1 -5,-0.0 -0.372 78.0-128.7 -61.6 131.9 -23.1 -30.4 -10.8 259 794 A Q + 0 0 183 -2,-0.1 2,-0.1 2,-0.1 -1,-0.1 -0.754 50.3 137.2 -93.4 115.6 -23.8 -34.1 -11.2 260 795 A T 0 0 110 -2,-0.6 -2,-0.0 -152,-0.0 -1,-0.0 -0.591 360.0 360.0-154.8 80.2 -21.0 -36.4 -12.4 261 796 A H 0 0 157 -2,-0.1 -153,-0.1 -153,-0.0 -2,-0.1 -0.186 360.0 360.0 -46.6 360.0 -20.9 -39.6 -10.4