==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 14-NOV-12 3W1F . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE TTK; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.KUSAKABE,N.IDE,Y.DAIGO,Y.TACHIBANA,T.ITOH,T.YAMAMOTO,H.HAS . 259 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12833.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 166 64.1 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 . 44 17.0 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 . 16 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 27.8 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 3 0 1 1 0 0 1 0 0 0 0 0 1 0 1 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 . 1 1 1 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 . 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 0 179 0, 0.0 11,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -34.6 14.4 -32.4 1.0 2 517 A C E -A 11 0A 85 9,-0.2 2,-0.4 25,-0.0 9,-0.2 -0.970 360.0-169.0-142.8 130.9 14.9 -29.1 -1.0 3 518 A I E -A 10 0A 9 7,-2.6 7,-1.9 -2,-0.4 2,-0.5 -0.930 9.8-155.9-117.3 127.4 14.7 -27.9 -4.7 4 519 A S E +A 9 0A 55 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.885 16.1 176.5-100.6 124.8 16.0 -24.5 -6.0 5 520 A V E > -A 8 0A 1 3,-2.6 3,-1.3 -2,-0.5 -2,-0.0 -0.935 67.7 -31.8-133.3 114.6 14.3 -23.2 -9.1 6 521 A K T 3 S- 0 0 135 -2,-0.4 2,-0.6 1,-0.3 3,-0.1 0.902 127.0 -42.5 46.6 52.7 15.2 -19.8 -10.6 7 522 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 -0.429 117.8 102.2 98.2 -55.4 16.0 -18.4 -7.2 8 523 A R E < -A 5 0A 177 -3,-1.3 -3,-2.6 -2,-0.6 2,-0.4 -0.144 59.8-137.1 -74.6 154.9 13.1 -19.8 -5.2 9 524 A I E -A 4 0A 88 -5,-0.2 21,-0.4 -3,-0.1 2,-0.4 -0.895 15.8-173.1-115.1 141.8 13.1 -22.7 -2.7 10 525 A Y E -A 3 0A 11 -7,-1.9 -7,-2.6 -2,-0.4 2,-0.7 -0.997 19.7-133.6-133.4 137.8 10.6 -25.6 -2.4 11 526 A S E -AB 2 28A 46 17,-2.7 17,-1.0 -2,-0.4 2,-0.3 -0.814 24.0-124.3 -97.2 119.6 10.4 -28.3 0.2 12 527 A I E + B 0 27A 42 -11,-1.7 15,-0.2 -2,-0.7 3,-0.1 -0.440 33.2 172.2 -60.7 121.0 9.8 -31.8 -1.1 13 528 A L E - 0 0 89 13,-2.7 2,-0.2 1,-0.4 14,-0.2 0.562 63.4 -22.7-108.2 -14.9 6.8 -33.1 0.7 14 529 A K E - B 0 26A 106 12,-1.1 12,-3.2 0, 0.0 2,-0.4 -0.809 58.8-109.2 169.5 145.4 6.3 -36.3 -1.4 15 530 A Q E + B 0 25A 75 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.775 32.7 169.5 -89.2 134.9 7.1 -38.0 -4.7 16 531 A I E + 0 0 45 8,-3.2 143,-3.6 -2,-0.4 2,-0.3 0.668 59.8 29.6-113.1 -28.8 4.1 -38.4 -6.9 17 532 A G E -CB 158 24A 3 7,-1.7 7,-1.8 141,-0.3 -1,-0.3 -0.914 47.7-179.0-140.4 159.8 5.5 -39.5 -10.3 18 533 A S + 0 0 54 139,-1.7 5,-0.2 -2,-0.3 139,-0.0 -0.388 12.8 164.5-166.6 72.2 8.5 -41.4 -11.7 19 534 A G - 0 0 12 3,-0.3 137,-0.2 137,-0.1 136,-0.1 0.147 62.5 -56.0 -69.4-162.7 9.0 -41.8 -15.5 20 535 A G S S- 0 0 83 135,-0.5 136,-0.1 1,-0.2 135,-0.0 0.931 126.0 -12.3 -45.7 -81.6 12.3 -42.9 -17.0 21 536 A S S S+ 0 0 52 20,-0.1 20,-2.5 2,-0.0 2,-0.3 0.022 122.8 93.0-111.2 24.0 14.8 -40.3 -15.8 22 537 A S E - D 0 40A 1 18,-0.2 2,-0.4 20,-0.0 -3,-0.3 -0.902 49.6-172.0-122.6 147.7 12.1 -38.0 -14.5 23 538 A K E - D 0 39A 44 16,-2.5 16,-3.3 -2,-0.3 2,-0.5 -0.999 12.0-148.6-138.3 136.1 10.5 -37.6 -11.1 24 539 A V E -BD 17 38A 26 -7,-1.8 -8,-3.2 -2,-0.4 -7,-1.7 -0.931 16.7-163.4-106.9 130.1 7.5 -35.4 -10.0 25 540 A F E -BD 15 37A 27 12,-2.6 12,-2.2 -2,-0.5 2,-0.6 -0.914 22.0-136.3-115.8 136.4 7.4 -34.0 -6.5 26 541 A Q E +BD 14 36A 40 -12,-3.2 -13,-2.7 -2,-0.4 -12,-1.1 -0.812 48.5 170.3 -78.8 117.7 4.5 -32.6 -4.4 27 542 A V E -BD 12 35A 0 8,-3.0 8,-1.4 -2,-0.6 2,-0.4 -0.793 31.2-135.6-133.8 175.0 6.3 -29.5 -2.9 28 543 A L E -BD 11 34A 44 -17,-1.0 -17,-2.7 -2,-0.2 6,-0.2 -0.998 12.4-142.5-137.7 132.3 5.8 -26.3 -1.0 29 544 A N > - 0 0 25 4,-2.1 3,-1.8 -2,-0.4 -19,-0.2 -0.188 46.3 -84.5 -79.4-177.6 7.2 -22.8 -1.5 30 545 A E T 3 S+ 0 0 166 -21,-0.4 -20,-0.1 1,-0.3 -1,-0.1 0.833 132.2 52.8 -57.9 -36.6 8.2 -20.5 1.4 31 546 A K T 3 S- 0 0 86 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.314 122.4-110.4 -81.5 8.9 4.6 -19.3 1.9 32 547 A K < + 0 0 71 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.795 65.5 154.1 64.6 34.8 3.7 -23.0 2.1 33 548 A Q - 0 0 100 1,-0.0 -4,-2.1 0, 0.0 -1,-0.2 -0.718 41.7-119.8 -89.4 142.2 1.8 -23.1 -1.2 34 549 A I E +D 28 0A 73 -2,-0.3 2,-0.3 -6,-0.2 55,-0.3 -0.467 39.1 157.8 -85.2 156.2 1.6 -26.4 -3.0 35 550 A Y E -D 27 0A 41 -8,-1.4 -8,-3.0 53,-0.2 2,-0.4 -0.945 37.8-121.2-166.0 151.3 3.0 -27.1 -6.5 36 551 A A E -DE 26 87A 11 51,-3.0 51,-3.5 -2,-0.3 2,-0.4 -0.874 28.0-164.2 -98.4 138.3 4.1 -30.0 -8.5 37 552 A I E -DE 25 86A 0 -12,-2.2 -12,-2.6 -2,-0.4 2,-0.6 -0.993 6.7-150.9-125.8 125.5 7.7 -29.8 -9.6 38 553 A K E -DE 24 85A 14 47,-2.0 47,-1.6 -2,-0.4 2,-0.5 -0.853 8.6-165.6 -98.0 122.5 9.1 -32.1 -12.4 39 554 A Y E -DE 23 84A 54 -16,-3.3 -16,-2.5 -2,-0.6 2,-0.5 -0.914 4.8-174.3-103.9 125.5 12.8 -32.9 -12.2 40 555 A V E -DE 22 83A 0 43,-2.2 43,-1.5 -2,-0.5 2,-0.4 -0.969 15.3-147.0-122.0 114.8 14.2 -34.4 -15.3 41 556 A N E - E 0 82A 48 -20,-2.5 41,-0.2 -2,-0.5 3,-0.2 -0.704 13.4-173.6 -81.0 130.4 17.8 -35.6 -15.1 42 557 A L > + 0 0 10 39,-3.3 3,-1.3 -2,-0.4 40,-0.2 0.485 51.8 105.4-106.6 -6.2 19.6 -35.1 -18.4 43 558 A E T 3 S+ 0 0 139 38,-0.6 -1,-0.2 1,-0.3 39,-0.1 0.772 93.9 34.5 -50.1 -34.3 23.0 -36.8 -18.0 44 559 A E T 3 S+ 0 0 95 -3,-0.2 -1,-0.3 -23,-0.1 -2,-0.1 0.625 91.4 122.3 -94.4 -15.8 21.9 -39.7 -20.1 45 560 A A < - 0 0 25 -3,-1.3 2,-0.2 -4,-0.1 -3,-0.1 -0.258 46.1-153.6 -68.7 128.2 19.7 -37.9 -22.6 46 561 A D > - 0 0 97 -2,-0.1 4,-2.4 1,-0.1 3,-0.4 -0.583 36.4 -95.7 -91.2 159.0 20.4 -38.1 -26.4 47 562 A N H > S+ 0 0 124 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.771 120.3 57.6 -48.6 -41.8 19.3 -35.4 -28.8 48 563 A Q H > S+ 0 0 74 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.980 116.5 34.6 -51.9 -59.1 16.0 -37.1 -29.9 49 564 A T H > S+ 0 0 30 -3,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.812 115.9 56.2 -66.5 -33.0 14.7 -37.2 -26.3 50 565 A L H X S+ 0 0 27 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.900 109.4 46.4 -67.0 -40.9 16.4 -33.9 -25.3 51 566 A D H X S+ 0 0 90 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.833 107.5 57.7 -69.4 -33.5 14.5 -32.2 -28.2 52 567 A S H X S+ 0 0 15 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.916 108.3 46.5 -62.0 -43.3 11.3 -33.9 -27.1 53 568 A Y H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.938 112.2 48.7 -64.5 -49.6 11.7 -32.3 -23.6 54 569 A R H X S+ 0 0 119 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.840 112.9 51.1 -55.0 -36.1 12.4 -28.9 -25.1 55 570 A N H X S+ 0 0 62 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.955 107.7 49.6 -69.9 -49.7 9.4 -29.4 -27.3 56 571 A E H X S+ 0 0 8 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.945 112.5 49.3 -51.3 -55.6 7.0 -30.4 -24.5 57 572 A I H X S+ 0 0 5 -4,-2.4 4,-2.9 1,-0.2 -1,-0.2 0.900 110.7 49.3 -49.2 -50.0 8.1 -27.3 -22.5 58 573 A A H X S+ 0 0 55 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.928 117.2 40.1 -61.7 -46.6 7.6 -24.9 -25.4 59 574 A Y H X S+ 0 0 76 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.927 112.8 54.4 -66.5 -45.2 4.1 -26.2 -26.2 60 575 A L H X S+ 0 0 3 -4,-3.3 4,-0.7 -5,-0.3 -2,-0.2 0.923 114.1 43.7 -56.4 -45.2 3.2 -26.5 -22.6 61 576 A N H >X S+ 0 0 54 -4,-2.9 3,-1.1 -5,-0.2 4,-0.5 0.952 114.3 47.7 -59.1 -55.2 4.2 -22.8 -22.3 62 577 A K H >< S+ 0 0 121 -4,-2.9 3,-1.0 1,-0.3 4,-0.5 0.922 109.4 53.4 -56.2 -47.9 2.5 -21.6 -25.5 63 578 A L H 3X S+ 0 0 0 -4,-3.5 4,-1.3 1,-0.2 3,-0.3 0.655 86.6 85.4 -66.6 -17.2 -0.7 -23.4 -24.7 64 579 A Q H << S+ 0 0 33 -3,-1.1 3,-0.3 -4,-0.7 -1,-0.2 0.899 89.5 50.0 -43.7 -53.0 -1.0 -21.7 -21.3 65 580 A Q T << S+ 0 0 88 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.881 107.3 54.0 -58.1 -41.6 -2.7 -18.7 -22.8 66 581 A H T 4 S+ 0 0 93 -4,-0.5 2,-0.3 -3,-0.3 -1,-0.2 0.781 114.4 7.4 -76.4 -31.0 -5.3 -20.6 -24.7 67 582 A S < - 0 0 10 -4,-1.3 3,-0.4 -3,-0.3 -1,-0.1 -0.999 41.6-148.1-153.4 148.2 -7.0 -22.8 -22.1 68 583 A D S S+ 0 0 79 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.414 93.3 81.6 -93.9 -0.2 -7.2 -23.5 -18.4 69 584 A K S S+ 0 0 21 77,-0.1 78,-2.8 2,-0.1 2,-0.5 0.262 81.3 83.3 -84.9 13.7 -7.9 -27.2 -19.2 70 585 A I B S-g 147 0B 3 -3,-0.4 78,-0.1 76,-0.3 3,-0.1 -0.969 99.0 -97.5-116.9 127.6 -4.1 -27.4 -19.6 71 586 A I - 0 0 6 76,-2.3 2,-0.4 -2,-0.5 -2,-0.1 -0.051 45.9-116.3 -34.7 132.0 -1.8 -28.0 -16.6 72 587 A R - 0 0 118 -4,-0.1 16,-1.8 1,-0.0 2,-0.6 -0.647 21.0-155.3 -82.7 131.0 -0.4 -24.6 -15.6 73 588 A L E -F 87 0A 3 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.916 12.2-178.8-109.3 106.6 3.3 -24.1 -16.0 74 589 A Y E - 0 0 93 12,-2.2 2,-0.3 -2,-0.6 13,-0.2 0.927 61.2 -34.6 -77.1 -45.1 4.4 -21.4 -13.6 75 590 A D E -F 86 0A 54 11,-1.2 11,-2.7 2,-0.0 2,-0.3 -0.957 58.5-154.6-167.6 165.4 8.1 -21.2 -14.3 76 591 A Y E -F 85 0A 78 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.985 7.5-150.2-149.8 159.8 11.0 -23.6 -15.3 77 592 A E E +F 84 0A 44 7,-2.6 7,-2.6 -2,-0.3 2,-0.4 -0.992 16.7 178.9-132.8 142.3 14.7 -24.0 -15.2 78 593 A I E +F 83 0A 70 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 -0.985 9.6 153.9-149.6 125.7 16.8 -25.9 -17.8 79 594 A T - 0 0 49 3,-2.3 -2,-0.0 -2,-0.4 -37,-0.0 -0.705 61.8 -86.4-132.6-170.7 20.6 -26.6 -18.1 80 595 A D S S+ 0 0 123 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.752 127.4 42.8 -74.2 -18.5 22.6 -29.3 -19.7 81 596 A Q S S+ 0 0 99 1,-0.2 -39,-3.3 -39,-0.1 -38,-0.6 0.833 119.1 5.0 -95.3 -40.4 22.2 -31.3 -16.6 82 597 A Y E -E 41 0A 63 -41,-0.2 -3,-2.3 -40,-0.2 2,-0.4 -0.892 46.8-141.2-143.6 168.0 18.6 -30.9 -15.5 83 598 A I E -EF 40 78A 2 -43,-1.5 -43,-2.2 -2,-0.3 2,-0.4 -0.999 14.0-173.0-127.5 138.3 15.0 -29.7 -16.0 84 599 A Y E -EF 39 77A 41 -7,-2.6 -7,-2.6 -2,-0.4 2,-0.5 -0.993 2.9-171.4-127.0 125.9 12.7 -28.3 -13.3 85 600 A M E -EF 38 76A 1 -47,-1.6 -47,-2.0 -2,-0.4 2,-0.7 -0.957 11.0-154.1-117.8 113.7 9.2 -27.5 -14.1 86 601 A V E +EF 37 75A 3 -11,-2.7 -12,-2.2 -2,-0.5 -11,-1.2 -0.783 34.1 162.3 -87.8 118.3 7.1 -25.7 -11.5 87 602 A M E -EF 36 73A 19 -51,-3.5 -51,-3.0 -2,-0.7 -14,-0.2 -0.863 41.3 -76.0-137.0 163.4 3.5 -26.6 -12.1 88 603 A E - 0 0 25 -16,-1.8 2,-0.4 -2,-0.3 -53,-0.2 -0.193 44.2-132.1 -55.1 145.7 0.0 -26.7 -10.7 89 604 A C - 0 0 25 -55,-0.3 2,-0.2 -54,-0.1 -1,-0.1 -0.893 24.1-170.9-107.2 135.7 -0.8 -29.4 -8.1 90 605 A G - 0 0 21 -2,-0.4 51,-0.2 51,-0.1 3,-0.1 -0.554 31.3-114.7-116.7-176.1 -3.9 -31.6 -8.3 91 606 A N S S- 0 0 126 49,-2.3 2,-0.3 1,-0.3 50,-0.1 0.924 84.7 -22.6 -85.2 -51.3 -5.8 -34.2 -6.3 92 607 A I E -H 140 0B 48 48,-0.5 48,-2.2 5,-0.0 -1,-0.3 -0.965 61.2-104.7-162.0 142.3 -5.5 -37.3 -8.4 93 608 A D E -H 139 0B 19 -2,-0.3 4,-0.3 46,-0.2 46,-0.2 -0.411 41.2-116.8 -62.2 151.3 -4.8 -38.5 -11.9 94 609 A L S >> S+ 0 0 0 44,-1.6 3,-1.7 41,-0.8 4,-1.6 0.892 110.0 58.4 -61.0 -41.9 -8.0 -39.7 -13.5 95 610 A N H >> S+ 0 0 49 40,-0.7 4,-0.6 43,-0.3 3,-0.6 0.928 106.0 47.5 -57.1 -47.6 -6.8 -43.3 -13.9 96 611 A S H 3> S+ 0 0 48 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.523 113.7 51.3 -70.7 -3.5 -6.2 -43.8 -10.2 97 612 A W H <> S+ 0 0 46 -3,-1.7 4,-1.9 -4,-0.3 -1,-0.2 0.651 98.2 61.2-107.6 -22.9 -9.6 -42.3 -9.6 98 613 A L H << S+ 0 0 15 -4,-1.6 -2,-0.2 -3,-0.6 -3,-0.1 0.585 108.3 47.9 -78.9 -13.1 -11.6 -44.5 -12.0 99 614 A K H < S+ 0 0 110 -4,-0.6 -2,-0.2 -5,-0.2 -1,-0.1 0.894 112.6 47.2 -83.9 -54.0 -10.4 -47.4 -9.8 100 615 A K H < S+ 0 0 136 -4,-0.8 -2,-0.2 2,-0.0 -3,-0.1 0.924 100.3 68.9 -52.0 -63.0 -11.3 -45.7 -6.4 101 616 A K S < S- 0 0 34 -4,-1.9 3,-0.1 1,-0.1 0, 0.0 -0.310 73.9-142.8 -62.4 144.1 -14.9 -44.5 -7.2 102 617 A K S S- 0 0 104 1,-0.3 2,-0.3 -2,-0.0 -1,-0.1 0.991 77.5 -20.9 -72.5 -64.1 -17.6 -47.1 -7.7 103 618 A S S S- 0 0 91 92,-0.0 -1,-0.3 90,-0.0 90,-0.1 -0.976 77.8-109.3-148.5 142.4 -19.6 -45.5 -10.5 104 619 A I - 0 0 23 -2,-0.3 -6,-0.0 89,-0.2 92,-0.0 -0.281 25.8-108.5 -79.1 150.5 -19.6 -41.8 -11.5 105 620 A D > - 0 0 94 1,-0.1 4,-2.9 -2,-0.0 5,-0.2 -0.569 26.8-126.7 -69.6 134.6 -22.4 -39.1 -11.1 106 621 A P H > S+ 0 0 60 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.892 108.0 48.3 -43.6 -54.9 -24.0 -38.0 -14.5 107 622 A W H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.871 114.9 45.5 -62.1 -39.6 -23.4 -34.3 -13.9 108 623 A E H > S+ 0 0 35 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.929 110.3 53.1 -66.9 -47.2 -19.8 -34.8 -13.0 109 624 A R H X S+ 0 0 17 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.850 111.2 46.7 -59.4 -37.7 -19.1 -37.2 -15.9 110 625 A K H X S+ 0 0 29 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.957 111.6 50.9 -66.5 -51.9 -20.5 -34.7 -18.4 111 626 A S H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.889 111.1 48.4 -50.8 -45.9 -18.4 -31.9 -16.8 112 627 A Y H X S+ 0 0 26 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.887 109.5 54.0 -64.4 -39.9 -15.3 -34.1 -17.1 113 628 A W H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.931 108.0 48.0 -58.5 -48.1 -16.2 -34.8 -20.7 114 629 A K H X S+ 0 0 84 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.956 110.5 54.9 -56.2 -47.8 -16.4 -31.1 -21.6 115 630 A N H X S+ 0 0 13 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.906 109.1 44.2 -53.4 -53.1 -13.1 -30.6 -19.9 116 631 A M H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.884 111.6 54.8 -59.8 -41.5 -11.3 -33.2 -21.9 117 632 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.947 109.2 46.4 -58.6 -50.1 -12.9 -32.0 -25.2 118 633 A E H X S+ 0 0 67 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.915 114.2 50.1 -58.0 -45.7 -11.7 -28.5 -24.6 119 634 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.974 115.8 38.9 -55.4 -60.7 -8.2 -29.8 -23.7 120 635 A V H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.3 -2,-0.2 0.874 113.2 58.0 -64.9 -36.7 -7.8 -32.0 -26.7 121 636 A H H X S+ 0 0 47 -4,-3.3 4,-2.8 -5,-0.3 -1,-0.3 0.930 105.0 51.8 -54.1 -46.9 -9.4 -29.4 -28.9 122 637 A T H X S+ 0 0 9 -4,-2.3 4,-0.7 -5,-0.2 -2,-0.2 0.938 108.5 47.6 -59.7 -49.5 -6.8 -27.0 -27.9 123 638 A I H ><>S+ 0 0 0 -4,-1.8 5,-2.8 1,-0.2 3,-0.8 0.877 112.1 52.0 -61.8 -33.8 -3.8 -29.2 -28.7 124 639 A H H ><5S+ 0 0 31 -4,-2.0 3,-2.4 1,-0.3 -1,-0.2 0.942 102.6 57.8 -68.0 -45.6 -5.4 -30.0 -32.1 125 640 A Q H 3<5S+ 0 0 124 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.681 107.4 50.5 -56.4 -18.3 -5.8 -26.3 -32.9 126 641 A H T <<5S- 0 0 46 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 -0.017 125.5-100.8-111.2 28.3 -2.0 -26.1 -32.4 127 642 A G T < 5S+ 0 0 70 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.667 79.3 133.5 64.7 21.3 -1.2 -28.9 -34.7 128 643 A I < - 0 0 9 -5,-2.8 2,-0.6 -6,-0.2 -1,-0.2 -0.894 35.1-171.5-102.3 129.8 -0.6 -31.5 -32.0 129 644 A V - 0 0 42 -2,-0.5 2,-0.9 -3,-0.1 21,-0.0 -0.897 15.6-150.6-114.9 100.5 -2.1 -35.0 -32.1 130 645 A H - 0 0 1 -2,-0.6 3,-0.5 1,-0.2 21,-0.2 -0.561 14.8-171.5 -68.1 103.2 -1.5 -36.8 -28.8 131 646 A S S S+ 0 0 63 -2,-0.9 2,-0.7 1,-0.2 -1,-0.2 0.853 72.2 50.0 -73.5 -33.9 -1.3 -40.4 -29.9 132 647 A D S S+ 0 0 86 34,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.459 75.6 170.7-105.1 60.3 -1.2 -42.3 -26.6 133 648 A L + 0 0 0 -2,-0.7 17,-0.0 -3,-0.5 32,-0.0 -0.486 8.1 146.1 -75.6 138.7 -4.2 -40.7 -24.9 134 649 A K > - 0 0 20 -2,-0.2 3,-2.6 30,-0.0 4,-0.3 -0.973 61.5 -93.8-167.5 161.5 -5.4 -42.3 -21.6 135 650 A P G > S+ 0 0 1 0, 0.0 3,-1.5 0, 0.0 -41,-0.8 0.753 116.5 69.7 -61.2 -24.4 -6.9 -41.4 -18.2 136 651 A A G 3 S+ 0 0 22 1,-0.2 -3,-0.0 -42,-0.2 -40,-0.0 0.707 91.8 62.8 -60.0 -20.0 -3.4 -41.2 -16.6 137 652 A N G < S+ 0 0 11 -3,-2.6 11,-2.9 -44,-0.1 12,-0.5 0.515 93.1 74.2 -84.7 -10.9 -2.9 -38.0 -18.8 138 653 A F E < - I 0 147B 0 -3,-1.5 -44,-1.6 -4,-0.3 2,-0.4 -0.752 64.1-161.0-106.4 157.3 -5.6 -36.1 -17.1 139 654 A L E -HI 93 146B 24 7,-1.8 7,-1.8 -2,-0.3 2,-0.3 -0.982 16.4-130.3-145.5 123.7 -5.5 -34.6 -13.6 140 655 A I E +HI 92 145B 8 -48,-2.2 -49,-2.3 -2,-0.4 -48,-0.5 -0.561 27.8 174.4 -75.6 131.3 -8.3 -33.4 -11.3 141 656 A V S S- 0 0 5 3,-2.0 -51,-0.1 -2,-0.3 -2,-0.0 -0.849 70.8 -38.4-145.8 100.5 -7.7 -29.9 -9.9 142 657 A D S S- 0 0 120 -2,-0.3 3,-0.1 1,-0.1 -52,-0.0 0.938 128.8 -31.7 33.0 76.9 -10.6 -28.5 -7.9 143 658 A G S S+ 0 0 55 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.955 119.3 100.8 52.3 63.3 -13.4 -30.0 -10.1 144 659 A M - 0 0 41 2,-0.1 -3,-2.0 -75,-0.0 2,-0.5 -0.818 63.1-138.4-168.5 129.7 -11.6 -29.8 -13.4 145 660 A L E - I 0 140B 0 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.849 29.4-175.0 -86.5 129.1 -9.8 -32.3 -15.6 146 661 A K E - I 0 139B 15 -7,-1.8 -7,-1.8 -2,-0.5 2,-0.4 -0.949 27.4-111.4-122.9 148.9 -6.6 -30.7 -17.0 147 662 A L E -gI 70 138B 0 -78,-2.8 -76,-2.3 -2,-0.3 -9,-0.2 -0.657 25.1-172.5 -84.7 131.3 -4.2 -32.2 -19.5 148 663 A I + 0 0 62 -11,-2.9 2,-0.3 -2,-0.4 -1,-0.1 0.856 63.3 12.1 -90.6 -43.9 -0.8 -33.1 -18.2 149 664 A D - 0 0 15 -12,-0.5 -1,-0.2 1,-0.0 -19,-0.1 -0.857 51.5-141.0-139.6 171.7 1.1 -34.1 -21.3 150 665 A F - 0 0 2 -2,-0.3 -19,-0.2 -3,-0.1 -17,-0.1 0.307 45.7-113.4-118.9 5.4 1.0 -34.0 -25.1 151 666 A G S S+ 0 0 40 2,-0.2 -20,-0.2 -21,-0.2 4,-0.1 0.586 96.4 102.3 67.8 8.3 2.5 -37.4 -26.1 152 667 A I S S+ 0 0 48 2,-0.1 2,-0.2 -100,-0.1 -99,-0.1 0.910 77.1 46.7 -79.9 -57.7 5.4 -35.4 -27.6 153 668 A A S S- 0 0 8 1,-0.1 -2,-0.2 -101,-0.1 -3,-0.1 -0.565 109.6 -79.5 -85.3 155.1 7.8 -36.1 -24.7 154 669 A N - 0 0 80 -2,-0.2 -1,-0.1 -105,-0.2 -2,-0.1 -0.229 58.4-101.9 -58.6 135.1 8.3 -39.6 -23.2 155 670 A Q - 0 0 61 -4,-0.1 -135,-0.5 -136,-0.1 2,-0.4 -0.211 26.5-148.1 -70.3 146.2 5.5 -40.7 -20.8 156 671 A M - 0 0 45 -137,-0.2 -137,-0.1 -136,-0.1 -1,-0.1 -0.885 10.2-138.3-108.2 141.8 5.7 -40.7 -17.0 157 672 A Q - 0 0 62 -2,-0.4 -139,-1.7 4,-0.0 2,-0.2 -0.899 22.1-127.1-102.6 124.3 3.9 -43.2 -14.7 158 673 A P B C 17 0A 60 0, 0.0 -141,-0.3 0, 0.0 -142,-0.0 -0.499 360.0 360.0 -75.6 135.8 2.2 -41.7 -11.5 159 674 A D 0 0 121 -143,-3.6 -142,-0.2 -2,-0.2 -144,-0.1 0.350 360.0 360.0 -84.8 360.0 3.0 -43.3 -8.1 160 ! 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 0.0 161 685 A G 0 0 126 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 117.0 1.0 -48.8 -19.1 162 686 A T - 0 0 43 1,-0.1 3,-0.1 0, 0.0 0, 0.0 -0.580 360.0-151.8-111.2 166.7 -2.2 -50.2 -20.8 163 687 A V > + 0 0 47 -2,-0.2 3,-0.8 2,-0.1 -1,-0.1 0.158 67.3 110.0-120.9 15.7 -3.4 -50.8 -24.4 164 688 A N T 3 S+ 0 0 30 1,-0.2 36,-0.3 37,-0.0 37,-0.1 0.647 83.6 42.1 -56.8 -19.1 -7.1 -50.4 -23.5 165 689 A Y T 3 S+ 0 0 7 -3,-0.1 -1,-0.2 33,-0.1 -32,-0.2 0.453 76.3 127.1-117.4 -5.9 -7.2 -47.1 -25.5 166 690 A M < - 0 0 57 -3,-0.8 -34,-0.1 -34,-0.1 -3,-0.1 -0.309 57.8-127.4 -55.7 130.0 -5.2 -47.7 -28.6 167 691 A P >> - 0 0 2 0, 0.0 3,-1.6 0, 0.0 4,-1.0 -0.627 16.2-116.3 -80.5 146.6 -7.2 -46.7 -31.7 168 692 A P H >> S+ 0 0 9 0, 0.0 4,-3.2 0, 0.0 3,-1.5 0.876 113.6 55.6 -37.2 -57.2 -7.6 -49.2 -34.6 169 693 A E H 34 S+ 0 0 27 1,-0.3 4,-0.1 2,-0.2 12,-0.0 0.679 105.3 53.0 -62.6 -21.1 -5.8 -47.0 -37.1 170 694 A A H <4 S+ 0 0 28 -3,-1.6 4,-0.5 2,-0.2 -1,-0.3 0.705 115.3 40.3 -82.9 -25.2 -2.7 -46.9 -34.8 171 695 A I H << S+ 0 0 31 -3,-1.5 3,-0.4 -4,-1.0 -2,-0.2 0.901 115.8 48.3 -85.0 -50.6 -2.7 -50.7 -34.6 172 696 A K S < S+ 0 0 75 -4,-3.2 -3,-0.2 1,-0.2 -2,-0.2 0.627 96.1 88.5 -60.0 -15.1 -3.5 -51.3 -38.3 173 697 A D + 0 0 110 -5,-0.4 -1,-0.2 -4,-0.1 -2,-0.2 0.944 66.1 76.0 -49.3 -70.9 -0.7 -48.7 -38.8 174 698 A M 0 0 130 -4,-0.5 -4,-0.0 -3,-0.4 -3,-0.0 -0.172 360.0 360.0 -52.7 135.9 2.4 -51.0 -39.0 175 699 A S 0 0 177 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.691 360.0 360.0-108.1 360.0 2.8 -52.9 -42.3 176 ! 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 0.0 177 711 A I 0 0 134 0, 0.0 -7,-0.0 0, 0.0 -46,-0.0 0.000 360.0 360.0 360.0-178.4 -1.6 -39.3 -38.1 178 712 A S > - 0 0 35 1,-0.1 3,-1.4 -47,-0.0 4,-0.4 -0.592 360.0-135.7 -90.7 140.0 -5.3 -38.2 -37.7 179 713 A P T >> S+ 0 0 67 0, 0.0 3,-1.1 0, 0.0 4,-0.7 0.804 105.1 74.2 -49.1 -29.2 -6.9 -35.9 -35.1 180 714 A K H >> S+ 0 0 42 1,-0.3 4,-1.6 2,-0.2 3,-1.0 0.812 78.1 72.5 -61.0 -30.8 -9.5 -38.7 -35.1 181 715 A S H <> S+ 0 0 2 -3,-1.4 4,-1.7 1,-0.3 -1,-0.3 0.873 95.8 50.2 -48.6 -44.2 -7.1 -41.0 -33.2 182 716 A D H <> S+ 0 0 0 -3,-1.1 4,-2.5 -4,-0.4 -1,-0.3 0.754 102.6 62.0 -71.3 -23.9 -7.6 -39.0 -30.0 183 717 A V H X S+ 0 0 10 -4,-3.0 4,-2.5 1,-0.2 3,-1.6 0.945 107.5 50.3 -56.5 -50.5 -17.1 -45.6 -22.0 192 726 A Y H 3X S+ 0 0 29 -4,-2.0 4,-1.2 1,-0.3 -2,-0.2 0.881 106.5 55.5 -51.0 -44.1 -15.3 -46.4 -18.8 193 727 A M H 3< S+ 0 0 4 -4,-1.3 -1,-0.3 1,-0.2 -89,-0.2 0.463 116.7 34.9 -77.3 0.2 -17.1 -43.5 -17.1 194 728 A T H <4 S+ 0 0 15 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.661 129.7 28.9-118.2 -34.3 -20.5 -44.9 -18.0 195 729 A Y H < S- 0 0 44 -4,-2.5 -2,-0.2 2,-0.3 -3,-0.2 0.164 101.1-117.1-116.3 12.2 -20.1 -48.6 -17.9 196 730 A G S < S+ 0 0 36 -4,-1.2 2,-0.3 -5,-0.2 -4,-0.2 0.507 89.3 57.2 59.2 7.6 -17.4 -48.9 -15.2 197 731 A K S S- 0 0 57 -6,-0.4 -2,-0.3 -5,-0.1 -3,-0.2 -0.990 84.1-103.1-157.3 158.7 -14.9 -50.5 -17.7 198 732 A T > - 0 0 0 -2,-0.3 3,-0.8 -6,-0.1 4,-0.3 -0.388 46.2-100.1 -77.2 164.3 -13.2 -49.9 -21.1 199 733 A P T 3 S+ 0 0 5 0, 0.0 3,-0.2 0, 0.0 22,-0.2 0.871 118.1 21.6 -49.4 -44.9 -14.5 -51.8 -24.2 200 734 A F T > S+ 0 0 1 -36,-0.3 3,-0.5 1,-0.1 12,-0.1 0.165 88.1 106.6-116.8 20.4 -11.9 -54.5 -24.2 201 735 A Q T < S+ 0 0 78 -3,-0.8 -1,-0.1 1,-0.2 -37,-0.0 0.616 79.0 58.6 -78.1 -11.7 -10.7 -54.5 -20.6 202 736 A Q T 3 S+ 0 0 104 -4,-0.3 -1,-0.2 -3,-0.2 2,-0.2 0.714 83.7 96.8 -81.6 -27.7 -12.5 -57.8 -19.9 203 737 A I < - 0 0 35 -3,-0.5 6,-0.1 1,-0.1 -3,-0.0 -0.502 66.5-157.7 -63.0 135.5 -10.4 -59.4 -22.7 204 738 A I + 0 0 158 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.966 62.5 60.6 -91.5 -62.2 -7.6 -61.1 -20.9 205 739 A N > - 0 0 49 1,-0.1 4,-0.8 3,-0.1 3,-0.4 -0.568 63.6-150.8 -76.7 129.0 -4.6 -61.7 -23.2 206 740 A Q H > S+ 0 0 116 -2,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.816 95.2 64.7 -67.1 -33.6 -3.0 -58.5 -24.6 207 741 A I H 4 S+ 0 0 84 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.888 116.3 31.9 -53.8 -37.5 -1.8 -60.3 -27.7 208 742 A S H >> S+ 0 0 42 -3,-0.4 4,-1.3 2,-0.1 3,-0.9 0.483 103.4 75.0-100.7 -8.7 -5.5 -60.8 -28.5 209 743 A K H 3X S+ 0 0 4 -4,-0.8 4,-1.4 1,-0.2 3,-0.4 0.931 98.1 50.3 -64.5 -44.9 -6.7 -57.5 -26.9 210 744 A L H 3< S+ 0 0 33 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.277 104.2 63.1 -73.5 9.5 -5.2 -55.8 -30.0 211 745 A H H <> S+ 0 0 125 -3,-0.9 4,-1.3 2,-0.1 -1,-0.2 0.788 100.0 48.1 -98.3 -40.7 -7.2 -58.3 -32.0 212 746 A A H < S+ 0 0 6 -4,-1.3 -2,-0.2 -3,-0.4 6,-0.2 0.907 107.9 57.8 -62.7 -44.8 -10.6 -57.3 -30.9 213 747 A I T < S+ 0 0 1 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.938 112.2 37.7 -52.3 -56.8 -9.8 -53.6 -31.6 214 748 A I T 4 S+ 0 0 46 -4,-0.5 -1,-0.2 -46,-0.1 -2,-0.2 0.760 94.1 103.5 -68.8 -24.8 -8.9 -54.1 -35.3 215 749 A D < - 0 0 57 -4,-1.3 3,-0.3 1,-0.2 -4,-0.0 -0.456 48.2-171.8 -73.0 106.3 -11.7 -56.6 -35.9 216 750 A P S S+ 0 0 93 0, 0.0 -1,-0.2 0, 0.0 24,-0.1 0.885 87.7 57.3 -62.7 -38.3 -14.7 -55.1 -37.8 217 751 A N S S+ 0 0 137 2,-0.1 2,-0.4 0, 0.0 -2,-0.1 0.829 89.4 84.9 -62.7 -34.6 -16.7 -58.3 -37.2 218 752 A H S S- 0 0 63 -3,-0.3 2,-0.3 -6,-0.2 0, 0.0 -0.592 74.8-154.8 -69.5 124.1 -16.2 -58.0 -33.5 219 753 A E - 0 0 166 -2,-0.4 2,-0.4 0, 0.0 -2,-0.1 -0.804 10.1-122.2-107.4 146.2 -19.0 -55.6 -32.3 220 754 A I - 0 0 27 -2,-0.3 2,-0.8 18,-0.1 -20,-0.0 -0.718 23.4-121.8 -95.5 137.5 -18.9 -53.4 -29.2 221 755 A E + 0 0 153 -2,-0.4 -1,-0.0 -22,-0.2 0, 0.0 -0.626 29.2 177.0 -84.7 105.6 -21.5 -53.8 -26.5 222 756 A F - 0 0 42 -2,-0.8 3,-0.1 3,-0.0 2,-0.1 -0.777 14.6-162.0-105.0 87.1 -23.5 -50.5 -25.8 223 757 A P - 0 0 61 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.394 32.5 -94.5 -63.3 145.7 -26.1 -51.4 -23.2 224 758 A D - 0 0 118 -2,-0.1 4,-0.1 2,-0.0 3,-0.0 -0.212 45.9-177.5 -63.9 149.1 -29.0 -48.9 -22.9 225 759 A I - 0 0 30 -3,-0.1 6,-0.1 2,-0.1 -1,-0.0 -0.948 41.8-104.3-141.7 163.6 -28.9 -46.1 -20.4 226 760 A P S S+ 0 0 132 0, 0.0 2,-1.0 0, 0.0 3,-0.1 0.770 108.2 71.1 -59.3 -29.2 -31.1 -43.2 -19.2 227 761 A E > + 0 0 44 1,-0.2 4,-1.5 2,-0.1 -2,-0.1 -0.791 60.8 178.8 -93.6 98.7 -28.9 -40.7 -21.1 228 762 A K H > S+ 0 0 118 -2,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.855 78.5 57.5 -71.4 -34.9 -29.6 -41.4 -24.7 229 763 A D H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.935 104.7 51.6 -56.3 -50.6 -27.3 -38.6 -25.9 230 764 A L H > S+ 0 0 0 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.898 105.3 55.3 -54.7 -46.9 -24.3 -40.2 -24.1 231 765 A Q H X S+ 0 0 16 -4,-1.5 4,-1.9 1,-0.2 -1,-0.3 0.854 108.7 49.3 -56.3 -35.7 -25.0 -43.6 -25.7 232 766 A D H X S+ 0 0 73 -4,-1.4 4,-3.4 -3,-0.5 5,-0.3 0.932 107.6 52.6 -71.0 -44.2 -24.8 -41.9 -29.1 233 767 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.953 110.4 49.3 -54.3 -52.4 -21.5 -40.1 -28.2 234 768 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.910 112.7 47.0 -52.4 -47.9 -20.0 -43.5 -27.2 235 769 A K H < S+ 0 0 100 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.953 114.5 46.7 -60.8 -48.5 -21.2 -45.1 -30.5 236 770 A C H < S+ 0 0 35 -4,-3.4 10,-1.7 1,-0.2 3,-0.4 0.791 114.4 47.1 -65.5 -32.9 -19.9 -42.2 -32.6 237 771 A C H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.929 109.9 51.1 -74.5 -44.0 -16.5 -42.1 -30.9 238 772 A L S < S+ 0 0 5 -4,-2.4 2,-0.2 -5,-0.3 -1,-0.2 0.320 75.4 129.1 -84.8 13.4 -15.8 -45.8 -31.0 239 773 A K - 0 0 29 -3,-0.4 6,-0.1 -4,-0.3 -55,-0.1 -0.492 57.6-139.4 -65.9 131.5 -16.5 -46.2 -34.7 240 774 A R S S+ 0 0 55 -2,-0.2 -71,-0.2 1,-0.1 -1,-0.1 0.668 81.9 77.9 -71.5 -20.0 -13.6 -48.1 -36.3 241 775 A D >> - 0 0 70 1,-0.2 3,-2.1 3,-0.1 4,-0.5 -0.829 67.8-154.5 -99.8 107.5 -13.3 -46.0 -39.5 242 776 A P G >4 S+ 0 0 31 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.761 95.9 58.9 -44.4 -36.7 -11.6 -42.6 -38.8 243 777 A K G 34 S+ 0 0 103 1,-0.2 -3,-0.0 -3,-0.1 -2,-0.0 0.844 114.4 35.8 -64.5 -35.5 -13.5 -41.1 -41.8 244 778 A Q G <4 S+ 0 0 153 -3,-2.1 2,-0.3 2,-0.1 -1,-0.2 0.227 95.1 105.5-103.4 8.5 -16.8 -42.0 -40.2 245 779 A R S << S- 0 0 3 -3,-0.7 -8,-0.2 -4,-0.5 -9,-0.1 -0.703 81.5-100.6 -87.7 143.7 -15.8 -41.3 -36.6 246 780 A I - 0 0 19 -10,-1.7 2,-0.2 -2,-0.3 -1,-0.1 -0.190 36.9-126.9 -59.6 152.3 -17.1 -38.1 -35.0 247 781 A S > - 0 0 28 1,-0.1 4,-3.3 -3,-0.1 5,-0.1 -0.634 17.4-114.8 -96.2 161.1 -14.8 -35.1 -34.9 248 782 A I H > S+ 0 0 5 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.968 120.6 49.1 -55.3 -52.2 -13.9 -32.9 -31.8 249 783 A P H 4 S+ 0 0 81 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.852 113.7 46.7 -60.8 -31.7 -15.6 -29.9 -33.4 250 784 A E H >4 S+ 0 0 114 2,-0.2 3,-1.3 1,-0.2 4,-0.5 0.914 111.1 52.7 -67.5 -45.3 -18.7 -32.2 -34.1 251 785 A L H >< S+ 0 0 0 -4,-3.3 3,-1.2 1,-0.3 6,-0.3 0.866 102.5 58.6 -58.9 -37.7 -18.4 -33.5 -30.5 252 786 A L T 3< S+ 0 0 48 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.650 110.7 42.2 -69.5 -15.6 -18.4 -29.9 -29.2 253 787 A A T < S+ 0 0 72 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.382 87.9 120.1-105.5 2.0 -21.8 -29.3 -30.9 254 788 A H S X> S- 0 0 17 -3,-1.2 3,-1.1 -4,-0.5 4,-0.9 -0.363 74.5-119.7 -67.4 146.7 -23.2 -32.7 -29.9 255 789 A P H 3> S+ 0 0 51 0, 0.0 4,-3.0 0, 0.0 -1,-0.1 0.713 108.9 67.9 -60.7 -24.2 -26.4 -32.5 -27.7 256 790 A Y H 34 S+ 0 0 2 1,-0.2 -26,-0.1 -27,-0.2 -4,-0.1 0.853 111.1 33.4 -62.2 -36.1 -24.7 -34.3 -24.8 257 791 A V H <4 S+ 0 0 16 -3,-1.1 -1,-0.2 -6,-0.3 -5,-0.1 0.652 130.7 36.6 -86.5 -18.8 -22.4 -31.4 -24.3 258 792 A Q H < S+ 0 0 115 -4,-0.9 2,-0.3 2,-0.1 -2,-0.2 0.795 87.1 87.4-115.9 -39.9 -25.0 -28.8 -25.3 259 793 A I S < S- 0 0 102 -4,-3.0 2,-0.3 -5,-0.1 -5,-0.0 -0.570 80.3-117.5 -72.1 128.8 -28.5 -29.7 -24.2 260 794 A Q 0 0 183 -2,-0.3 -1,-0.1 1,-0.0 -2,-0.1 -0.539 360.0 360.0 -79.6 128.2 -29.1 -28.4 -20.6 261 795 A T 0 0 115 -2,-0.3 -2,-0.1 -154,-0.0 -1,-0.0 -0.444 360.0 360.0 57.4 360.0 -29.9 -31.0 -17.9