==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-JAN-10 3LLT . COMPND 2 MOLECULE: SERINE/THREONINE KINASE-1, PFLAMMER; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR A.K.WERNIMONT,W.TEMPEL,Y.H.LIN,P.LOPPNAU,F.MACKENZIE,H.SULLI . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 54 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 0 2 1 0 1 1 0 0 0 1 1 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 . 1 3 1 1 0 1 3 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 . 3 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 1 535 A D > 0 0 116 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 158.4 59.1 -36.6 -7.0 2 536 A E G > + 0 0 101 1,-0.2 3,-0.7 2,-0.2 25,-0.1 0.499 360.0 76.8 -80.4 -5.0 61.2 -35.2 -4.1 3 537 A I G 3 S+ 0 0 138 1,-0.2 -1,-0.2 4,-0.0 4,-0.0 0.751 81.0 70.5 -73.1 -24.1 63.3 -33.2 -6.6 4 538 A V G < S+ 0 0 84 -3,-0.8 -1,-0.2 2,-0.0 -2,-0.2 0.738 85.4 92.5 -62.0 -24.5 60.3 -30.8 -6.8 5 539 A H S < S- 0 0 10 -3,-0.7 44,-0.1 1,-0.2 25,-0.1 -0.186 96.8 -59.9 -70.5 164.4 61.3 -29.7 -3.3 6 540 A F - 0 0 17 42,-0.4 2,-0.5 1,-0.1 -1,-0.2 -0.119 51.9-125.3 -47.0 128.4 63.6 -26.8 -2.3 7 541 A S + 0 0 94 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.711 42.9 167.3 -82.3 123.3 67.1 -27.0 -3.7 8 542 A W - 0 0 62 -2,-0.5 2,-0.3 4,-0.0 15,-0.0 -0.778 23.6-160.3-132.4 169.9 69.6 -26.7 -0.8 9 543 A K > - 0 0 157 -2,-0.2 3,-1.8 13,-0.0 11,-0.2 -0.979 37.6 -93.1-151.4 147.9 73.3 -27.3 0.1 10 544 A K T 3 S+ 0 0 150 -2,-0.3 11,-0.2 1,-0.3 3,-0.1 -0.420 114.1 33.5 -60.2 130.9 75.2 -27.7 3.3 11 545 A G T 3 S+ 0 0 50 9,-2.3 -1,-0.3 1,-0.3 10,-0.1 0.362 83.1 148.6 98.9 -3.4 76.4 -24.3 4.5 12 546 A M < - 0 0 53 -3,-1.8 8,-2.5 8,-0.2 2,-0.6 -0.334 39.5-144.1 -59.8 144.9 73.4 -22.4 3.1 13 547 A L E -A 19 0A 73 6,-0.2 2,-0.5 -3,-0.1 3,-0.4 -0.930 13.5-160.8-121.5 104.5 72.4 -19.3 5.1 14 548 A L E >> -A 18 0A 0 4,-3.2 4,-2.6 -2,-0.6 3,-1.8 -0.756 69.4 -17.0 -93.3 127.3 68.7 -18.8 5.3 15 549 A N T 34 S- 0 0 80 -2,-0.5 -1,-0.2 1,-0.3 72,-0.0 0.771 113.8 -72.8 53.8 34.3 67.3 -15.3 6.2 16 550 A N T 34 S+ 0 0 135 -3,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.783 132.4 60.5 51.3 34.8 70.7 -14.2 7.6 17 551 A A T <4 S+ 0 0 11 -3,-1.8 21,-2.7 1,-0.2 2,-0.5 0.467 80.3 72.9-149.0 -47.2 70.1 -16.4 10.6 18 552 A F E < -AB 14 37A 12 -4,-2.6 -4,-3.2 19,-0.2 2,-0.7 -0.763 56.2-155.7 -99.0 122.0 69.7 -20.2 9.9 19 553 A L E -AB 13 36A 59 17,-2.9 17,-2.1 -2,-0.5 2,-0.3 -0.840 19.7-133.7 -95.4 114.3 72.7 -22.4 8.8 20 554 A V E + B 0 35A 2 -8,-2.5 -9,-2.3 -2,-0.7 -8,-0.2 -0.496 33.2 165.0 -69.9 126.5 71.5 -25.4 6.9 21 555 A I E - 0 0 44 13,-3.0 2,-0.3 1,-0.4 -1,-0.2 0.809 57.6 -34.6-105.1 -56.2 73.2 -28.6 8.0 22 556 A R E - B 0 34A 121 12,-1.0 12,-2.9 -13,-0.1 -1,-0.4 -0.948 63.0 -83.1-159.1 173.2 71.2 -31.5 6.5 23 557 A K E - B 0 33A 74 -2,-0.3 10,-0.2 10,-0.2 3,-0.1 -0.736 27.8-176.0 -88.5 137.5 67.7 -32.8 5.5 24 558 A M E - 0 0 59 8,-3.2 2,-0.3 1,-0.4 9,-0.2 0.761 61.9 -38.9 -99.7 -36.3 65.5 -34.3 8.2 25 559 A G E - B 0 32A 32 7,-1.3 7,-2.7 2,-0.0 2,-0.4 -0.926 48.7-121.1 176.7 160.6 62.5 -35.4 6.1 26 560 A D E + B 0 31A 64 -2,-0.3 5,-0.2 5,-0.2 2,-0.1 -0.922 19.3 178.6-118.7 141.3 60.2 -34.6 3.2 27 561 A G - 0 0 45 3,-2.5 5,-0.0 -2,-0.4 -2,-0.0 -0.254 47.8 -97.4-108.0-153.9 56.5 -34.2 2.9 28 562 A T S S+ 0 0 90 -2,-0.1 3,-0.1 3,-0.0 22,-0.0 0.609 121.6 29.9 -99.8 -19.0 54.4 -33.3 -0.2 29 563 A F S S+ 0 0 93 1,-0.2 21,-2.4 20,-0.1 2,-0.3 0.737 123.1 29.8-108.1 -35.0 54.2 -29.6 0.7 30 564 A G E - C 0 49A 5 19,-0.2 -3,-2.5 -25,-0.1 2,-0.5 -0.942 56.4-141.4-136.0 152.0 57.5 -28.9 2.6 31 565 A R E -BC 26 48A 12 17,-2.4 17,-3.4 -2,-0.3 2,-0.6 -0.960 23.9-146.2-109.1 125.7 61.1 -30.0 3.0 32 566 A V E -BC 25 47A 33 -7,-2.7 -8,-3.2 -2,-0.5 -7,-1.3 -0.834 17.8-173.6-101.1 115.5 62.4 -30.0 6.6 33 567 A L E -BC 23 46A 0 13,-2.9 13,-3.1 -2,-0.6 2,-0.5 -0.867 26.0-122.9-111.0 139.0 66.0 -29.1 7.1 34 568 A L E +BC 22 45A 17 -12,-2.9 -13,-3.0 -2,-0.4 -12,-1.0 -0.700 41.4 179.1 -78.4 122.6 68.1 -29.2 10.2 35 569 A C E -BC 20 44A 0 9,-3.1 9,-3.0 -2,-0.5 2,-0.5 -0.932 26.8-145.7-128.6 148.5 69.5 -25.7 10.9 36 570 A Q E -BC 19 43A 44 -17,-2.1 -17,-2.9 -2,-0.3 2,-0.3 -0.971 23.7-130.4-110.7 128.1 71.6 -23.9 13.5 37 571 A H E > -B 18 0A 31 5,-2.3 4,-2.0 -2,-0.5 -19,-0.2 -0.611 10.4-146.3 -74.0 129.5 70.9 -20.3 14.3 38 572 A I T 4 S+ 0 0 91 -21,-2.7 -1,-0.1 -2,-0.3 -20,-0.1 0.586 93.3 51.9 -77.5 -9.7 74.1 -18.2 14.1 39 573 A D T 4 S+ 0 0 133 -22,-0.2 -1,-0.2 3,-0.1 -21,-0.0 0.818 127.6 15.3 -92.9 -37.4 73.0 -15.8 16.9 40 574 A N T 4 S- 0 0 66 2,-0.2 -2,-0.2 -3,-0.0 3,-0.1 0.526 88.6-131.9-114.7 -11.3 72.0 -18.3 19.7 41 575 A K < + 0 0 146 -4,-2.0 -3,-0.1 1,-0.2 2,-0.1 0.416 59.0 142.4 71.3 -0.1 73.6 -21.6 18.4 42 576 A K - 0 0 117 -6,-0.1 -5,-2.3 1,-0.1 2,-0.3 -0.337 50.9-117.9 -69.2 151.8 70.3 -23.4 19.1 43 577 A Y E -C 36 0A 115 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.749 33.1-179.9 -98.2 140.5 69.1 -26.1 16.7 44 578 A Y E -C 35 0A 19 -9,-3.0 -9,-3.1 -2,-0.3 2,-0.7 -0.971 30.2-130.2-137.5 150.4 65.9 -25.9 14.7 45 579 A A E -CD 34 96A 6 51,-2.2 51,-2.9 -2,-0.3 2,-0.6 -0.916 29.7-161.0 -96.7 114.2 63.9 -27.9 12.1 46 580 A V E -CD 33 95A 0 -13,-3.1 -13,-2.9 -2,-0.7 2,-0.8 -0.880 5.3-154.9-104.0 115.0 63.0 -25.5 9.3 47 581 A K E -CD 32 94A 27 47,-2.8 47,-2.2 -2,-0.6 2,-0.8 -0.799 7.3-161.4 -89.7 111.1 60.2 -26.5 7.0 48 582 A V E -CD 31 93A 1 -17,-3.4 -17,-2.4 -2,-0.8 -42,-0.4 -0.849 11.6-148.4 -95.6 109.5 60.6 -24.9 3.6 49 583 A V E -C 30 0A 4 43,-3.0 43,-0.3 -2,-0.8 -19,-0.2 -0.515 27.6 -92.4 -80.3 145.6 57.3 -25.0 1.7 50 584 A R - 0 0 41 -21,-2.4 42,-0.3 -2,-0.2 -1,-0.1 -0.103 35.0-105.7 -60.4 152.9 57.2 -25.3 -2.1 51 585 A N S S+ 0 0 99 40,-0.1 -1,-0.1 4,-0.1 5,-0.1 0.744 82.9 115.0 -45.8 -36.6 57.2 -22.2 -4.4 52 586 A I > - 0 0 73 1,-0.1 4,-1.0 3,-0.1 3,-0.2 -0.046 66.5-136.6 -49.6 137.9 53.5 -22.7 -5.3 53 587 A K H > S+ 0 0 171 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.803 100.5 54.8 -69.5 -34.4 51.1 -19.9 -4.2 54 588 A K H > S+ 0 0 148 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.815 108.3 49.7 -70.7 -31.1 48.3 -22.2 -2.9 55 589 A Y H > S+ 0 0 48 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.730 107.5 55.6 -77.8 -24.7 50.8 -24.1 -0.6 56 590 A T H X S+ 0 0 17 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.889 107.7 48.8 -68.8 -42.8 52.0 -20.7 0.7 57 591 A R H X S+ 0 0 55 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.891 112.3 46.7 -65.3 -42.9 48.5 -19.8 1.7 58 592 A S H X S+ 0 0 51 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.828 108.2 56.8 -70.1 -33.0 47.9 -23.1 3.5 59 593 A A H X S+ 0 0 2 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.826 104.1 53.5 -64.6 -34.2 51.2 -22.8 5.3 60 594 A K H X S+ 0 0 114 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.866 110.0 46.7 -67.5 -38.5 50.1 -19.4 6.6 61 595 A I H X S+ 0 0 102 -4,-1.3 4,-2.7 2,-0.2 -2,-0.2 0.905 112.1 51.2 -66.7 -42.8 47.0 -21.1 8.0 62 596 A E H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.908 109.8 49.4 -58.8 -45.3 49.2 -23.8 9.4 63 597 A A H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.887 111.8 50.0 -58.9 -41.7 51.4 -21.2 11.0 64 598 A D H X S+ 0 0 85 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.903 112.1 45.7 -65.6 -45.4 48.3 -19.6 12.5 65 599 A I H X S+ 0 0 7 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.929 113.2 50.3 -63.6 -47.6 46.9 -22.9 13.9 66 600 A L H < S+ 0 0 1 -4,-2.7 4,-0.4 1,-0.2 3,-0.2 0.868 108.1 53.8 -57.5 -40.8 50.3 -23.8 15.3 67 601 A K H >< S+ 0 0 149 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.862 105.9 53.0 -62.8 -39.0 50.6 -20.4 17.0 68 602 A K H 3< S+ 0 0 125 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.791 110.1 46.9 -68.8 -30.6 47.2 -20.7 18.8 69 603 A I T 3< S+ 0 0 0 -4,-1.2 2,-0.4 -3,-0.2 -1,-0.2 0.360 80.0 115.9 -99.3 4.4 48.1 -24.1 20.3 70 604 A Q < + 0 0 49 -3,-0.7 2,-0.2 -4,-0.4 7,-0.1 -0.622 45.1 170.3 -72.2 129.5 51.5 -23.2 21.7 71 605 A N - 0 0 30 -2,-0.4 -2,-0.1 8,-0.1 -1,-0.0 -0.573 45.3-107.0-132.0-170.6 51.4 -23.4 25.5 72 606 A D + 0 0 166 -2,-0.2 -2,-0.0 3,-0.0 2,-0.0 0.183 67.9 126.4-115.7 14.9 53.6 -23.4 28.6 73 607 A D S > S- 0 0 69 1,-0.1 3,-1.1 2,-0.0 -2,-0.1 -0.325 72.3-113.1 -64.1 154.4 53.4 -27.1 29.6 74 608 A I T 3 S+ 0 0 141 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 0.907 119.5 30.4 -58.3 -45.9 56.8 -28.8 30.1 75 609 A N T > S- 0 0 70 5,-0.0 3,-1.9 6,-0.0 4,-0.4 0.132 114.8-111.3 -99.1 17.6 56.3 -31.1 27.0 76 610 A N G X - 0 0 6 -3,-1.1 3,-1.3 1,-0.3 -2,-0.1 0.799 69.2 -67.8 54.0 33.7 54.2 -28.4 25.2 77 611 A N G 3 S- 0 0 40 1,-0.2 -1,-0.3 -7,-0.1 56,-0.2 0.786 89.1 -66.4 52.3 33.0 51.3 -30.9 25.8 78 612 A N G < S+ 0 0 4 -3,-1.9 106,-2.3 1,-0.3 2,-0.4 0.753 105.3 130.3 59.9 30.1 53.1 -33.2 23.3 79 613 A I B < S-f 184 0B 0 -3,-1.3 -1,-0.3 -4,-0.4 106,-0.1 -0.915 70.5 -95.4-107.6 137.5 52.5 -30.8 20.4 80 614 A V - 0 0 4 104,-2.2 2,-0.4 -2,-0.4 -4,-0.0 -0.253 43.1-112.8 -51.4 130.8 55.5 -29.8 18.2 81 615 A K - 0 0 87 -11,-0.1 16,-1.6 17,-0.0 2,-0.5 -0.585 31.7-162.7 -70.5 123.0 57.1 -26.6 19.4 82 616 A Y E +E 96 0A 20 -2,-0.4 14,-0.2 -16,-0.2 3,-0.1 -0.948 13.6 178.1-111.6 127.9 56.6 -23.8 16.8 83 617 A H E - 0 0 90 12,-2.8 2,-0.3 -2,-0.5 13,-0.1 0.600 50.9 -74.8-108.4 -16.6 58.8 -20.8 17.1 84 618 A G E -E 95 0A 17 11,-0.9 11,-3.0 2,-0.0 -1,-0.4 -0.886 40.2 -95.5 146.9-176.0 57.8 -18.6 14.1 85 619 A K E +E 94 0A 114 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.935 24.3 174.5-138.0 156.3 57.9 -18.0 10.4 86 620 A F E -E 93 0A 22 7,-1.9 7,-2.4 -2,-0.3 2,-0.5 -0.966 30.7-110.8-151.6 165.0 59.8 -16.1 7.7 87 621 A M E -E 92 0A 82 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.877 13.7-164.0-100.6 130.1 59.9 -15.7 4.0 88 622 A Y E > -E 91 0A 44 3,-2.9 3,-2.4 -2,-0.5 2,-0.7 -0.846 67.9 -72.0-106.8 88.8 62.9 -17.0 2.0 89 623 A Y T 3 S- 0 0 198 -2,-0.7 -2,-0.0 1,-0.3 0, 0.0 -0.484 120.5 -6.2 60.7-101.9 62.2 -15.1 -1.2 90 624 A D T 3 S+ 0 0 53 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.3 0.467 119.7 95.8 -97.2 -4.2 59.2 -17.0 -2.6 91 625 A H E < - E 0 88A 15 -3,-2.4 -3,-2.9 -43,-0.0 2,-0.5 -0.749 66.0-140.8 -98.4 131.3 59.3 -19.7 0.1 92 626 A M E - E 0 87A 3 -2,-0.4 -43,-3.0 -43,-0.3 2,-0.5 -0.758 23.4-163.6 -81.2 128.5 57.3 -19.9 3.3 93 627 A C E -DE 48 86A 0 -7,-2.4 -7,-1.9 -2,-0.5 2,-0.4 -0.970 7.6-163.2-122.6 124.8 59.5 -21.2 6.1 94 628 A L E -DE 47 85A 0 -47,-2.2 -47,-2.8 -2,-0.5 2,-0.6 -0.896 14.0-140.6-107.7 134.6 58.2 -22.5 9.4 95 629 A I E +DE 46 84A 18 -11,-3.0 -12,-2.8 -2,-0.4 -11,-0.9 -0.840 28.7 167.2-103.1 120.2 60.5 -22.9 12.4 96 630 A F E -DE 45 82A 19 -51,-2.9 -51,-2.2 -2,-0.6 -14,-0.2 -0.739 40.8 -93.9-121.1 168.1 60.1 -25.9 14.6 97 631 A E - 0 0 28 -16,-1.6 2,-0.4 -2,-0.2 -53,-0.2 -0.558 52.3-102.6 -70.9 147.8 62.0 -27.7 17.4 98 632 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.643 48.1-175.3 -77.6 130.8 64.2 -30.5 16.1 99 633 A L - 0 0 13 -2,-0.4 53,-0.2 1,-0.2 54,-0.1 -0.762 20.9-110.5-122.8 167.3 62.6 -34.0 16.7 100 634 A G - 0 0 10 51,-2.8 -1,-0.2 -2,-0.2 55,-0.1 0.042 55.9 -54.0 -81.4-166.1 63.6 -37.6 16.2 101 635 A P - 0 0 21 0, 0.0 50,-2.7 0, 0.0 -1,-0.2 -0.265 61.0 -98.6 -70.7 159.8 62.2 -40.2 13.8 102 636 A S B > -G 150 0B 2 48,-0.3 4,-1.7 1,-0.1 48,-0.2 -0.307 29.1-113.0 -70.4 160.5 58.5 -41.0 13.4 103 637 A L H > S+ 0 0 0 46,-2.3 4,-1.9 43,-1.0 44,-0.2 0.810 121.0 57.1 -62.8 -29.8 56.9 -44.0 15.1 104 638 A Y H > S+ 0 0 68 42,-1.3 4,-2.4 45,-0.3 -1,-0.2 0.916 103.5 51.0 -65.2 -45.8 56.4 -45.3 11.6 105 639 A E H > S+ 0 0 99 41,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.870 109.4 51.4 -58.4 -39.7 60.1 -45.1 10.8 106 640 A I H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 69,-0.2 0.886 108.0 51.5 -66.0 -40.9 60.9 -47.0 14.0 107 641 A I H <>S+ 0 0 1 -4,-1.9 5,-2.6 2,-0.2 6,-0.6 0.928 109.6 51.5 -56.6 -46.1 58.4 -49.7 12.9 108 642 A T H ><5S+ 0 0 51 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.900 109.0 48.9 -57.9 -45.8 60.3 -49.8 9.6 109 643 A R H 3<5S+ 0 0 131 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.0 57.8 -63.8 -30.3 63.7 -50.2 11.4 110 644 A N T ><5S- 0 0 5 -4,-1.7 3,-1.1 3,-0.2 -1,-0.3 0.115 123.6-104.5 -87.5 20.1 62.1 -53.0 13.5 111 645 A N T < 5S- 0 0 132 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.779 70.1 -63.0 62.1 31.8 61.2 -55.0 10.3 112 646 A Y T 3 > - 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0 0 55 -5,-1.2 -1,-0.3 46,-0.0 -2,-0.1 -0.977 58.4 -79.9-158.4 157.1 31.7 -54.7 13.8 258 792 A P - 0 0 95 0, 0.0 65,-0.1 0, 0.0 3,-0.1 -0.407 59.8 -97.2 -62.0 146.4 28.8 -54.4 11.4 259 793 A I - 0 0 6 1,-0.1 5,-0.1 -10,-0.1 24,-0.1 -0.539 47.6 -99.6 -69.9 124.0 27.9 -50.8 10.6 260 794 A P >> - 0 0 41 0, 0.0 4,-1.5 0, 0.0 3,-0.9 -0.130 26.8-125.8 -45.2 133.9 25.0 -49.5 12.7 261 795 A K H 3> S+ 0 0 121 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.794 108.0 57.4 -56.4 -34.5 21.7 -49.6 10.8 262 796 A N H 3> S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.833 104.2 51.1 -66.5 -36.3 21.1 -45.9 11.5 263 797 A M H <> S+ 0 0 13 -3,-0.9 4,-1.2 2,-0.2 -2,-0.2 0.883 108.3 51.3 -69.8 -40.3 24.4 -44.8 9.9 264 798 A L H X S+ 0 0 2 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.824 110.2 51.7 -63.8 -33.3 23.6 -46.7 6.7 265 799 A Y H >< S+ 0 0 109 -4,-1.4 3,-0.7 -5,-0.2 4,-0.4 0.903 109.3 47.4 -69.2 -44.1 20.2 -45.0 6.6 266 800 A E H >< S+ 0 0 99 -4,-1.9 3,-0.5 1,-0.2 4,-0.3 0.714 105.2 62.9 -69.7 -21.0 21.7 -41.5 7.0 267 801 A A H >< S+ 0 0 0 -4,-1.2 3,-0.8 1,-0.2 5,-0.4 0.750 89.9 65.7 -74.9 -26.4 24.2 -42.4 4.3 268 802 A T T << S+ 0 0 22 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.721 101.8 50.5 -67.3 -21.6 21.5 -42.9 1.6 269 803 A K T < S+ 0 0 129 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.547 114.1 48.1 -91.6 -11.1 20.7 -39.2 2.0 270 804 A T S X S- 0 0 44 -3,-0.8 3,-1.2 -4,-0.3 -56,-0.1 -0.350 109.1 -76.5-114.4-166.7 24.4 -38.1 1.5 271 805 A N G > S+ 0 0 118 -57,-0.3 3,-0.5 1,-0.3 -57,-0.2 0.459 118.7 77.0 -74.8 -1.7 27.3 -38.9 -0.9 272 806 A G G > + 0 0 0 -59,-0.7 3,-1.6 -5,-0.4 4,-0.4 0.379 65.4 101.7 -84.2 2.9 27.7 -42.2 0.9 273 807 A S G X + 0 0 60 -3,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.832 68.5 62.4 -54.4 -40.6 24.6 -43.4 -1.0 274 808 A K G < S+ 0 0 119 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.548 101.7 53.6 -69.2 -7.2 26.7 -45.4 -3.5 275 809 A Y G < S+ 0 0 29 -3,-1.6 9,-2.7 -8,-0.1 2,-0.4 0.575 97.9 77.8 -98.7 -14.3 28.0 -47.7 -0.7 276 810 A V E < S-K 283 0E 13 -3,-1.4 2,-1.1 -4,-0.4 7,-0.2 -0.830 72.6-136.5-108.6 132.8 24.6 -48.6 0.7 277 811 A N E >> -K 282 0E 58 5,-3.3 4,-1.3 -2,-0.4 5,-1.1 -0.773 26.6-158.5 -78.1 99.1 22.1 -51.2 -0.6 278 812 A K T 45S+ 0 0 132 -2,-1.1 -1,-0.2 1,-0.2 3,-0.1 0.826 81.2 47.2 -53.9 -42.6 19.0 -48.9 -0.0 279 813 A D T 45S+ 0 0 156 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.933 120.4 33.7 -69.4 -49.2 16.4 -51.6 0.1 280 814 A E T 45S- 0 0 42 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.476 100.4-129.6 -87.8 -3.0 18.0 -54.1 2.6 281 815 A L T <5 + 0 0 50 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.882 69.1 111.2 50.7 47.1 19.8 -51.3 4.6 282 816 A K E + 0 0 4 -9,-2.7 4,-2.7 -2,-0.1 -1,-0.1 -0.310 59.9 171.8 -74.2 56.8 26.5 -53.0 -1.1 285 819 A W T 4 + 0 0 51 -2,-2.6 -8,-0.0 1,-0.3 -2,-0.0 -0.976 55.9 1.7-126.2 134.5 29.0 -55.8 -0.7 286 820 A P T >4 S+ 0 0 72 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 -0.961 122.2 72.1 -89.1 13.2 30.0 -57.9 -2.5 287 821 A E T 34 S+ 0 0 111 1,-0.3 -2,-0.2 -4,-0.2 -3,-0.1 0.889 102.3 41.9 -52.3 -49.5 27.9 -56.2 -5.3 288 822 A N T 3< S+ 0 0 80 -4,-2.7 -1,-0.3 -13,-0.1 -3,-0.1 0.115 85.7 128.9 -92.2 20.6 30.0 -53.1 -5.6 289 823 A A < - 0 0 27 -3,-1.7 3,-0.1 1,-0.1 -4,-0.0 -0.306 54.4-142.9 -69.2 160.2 33.4 -54.8 -5.5 290 824 A S S S- 0 0 79 1,-0.3 2,-0.3 -2,-0.0 -1,-0.1 0.642 74.0 -7.8-101.3 -20.2 36.0 -54.0 -8.2 291 825 A S > - 0 0 54 1,-0.1 4,-1.0 0, 0.0 -1,-0.3 -0.967 66.9-104.1-162.7 170.7 37.5 -57.5 -8.5 292 826 A I H > S+ 0 0 120 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.769 119.2 60.2 -72.8 -27.8 37.5 -61.1 -7.0 293 827 A N H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.880 101.5 53.1 -64.6 -39.9 40.9 -60.3 -5.4 294 828 A S H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.859 111.3 46.8 -60.8 -38.6 39.3 -57.4 -3.5 295 829 A I H X S+ 0 0 55 -4,-1.0 4,-2.2 2,-0.2 -2,-0.2 0.913 112.4 48.3 -69.6 -45.7 36.7 -59.9 -2.2 296 830 A K H X S+ 0 0 95 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.852 109.8 54.7 -62.0 -35.5 39.4 -62.5 -1.3 297 831 A H H < S+ 0 0 46 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.915 110.6 43.6 -63.4 -46.2 41.3 -59.7 0.4 298 832 A V H >< S+ 0 0 5 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.840 112.4 53.7 -68.6 -35.0 38.3 -58.7 2.6 299 833 A K H 3< S+ 0 0 168 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.835 103.8 56.4 -66.6 -34.6 37.6 -62.4 3.3 300 834 A K T 3< S+ 0 0 147 -4,-1.7 2,-0.5 -5,-0.2 -1,-0.2 0.544 82.1 114.1 -74.6 -8.8 41.2 -62.9 4.5 301 835 A C < - 0 0 27 -3,-0.8 -3,-0.0 -4,-0.3 -4,-0.0 -0.540 60.0-145.1 -72.0 116.5 40.7 -60.1 7.1 302 836 A L - 0 0 89 -2,-0.5 -2,-0.1 1,-0.1 5,-0.1 -0.555 23.7-104.7 -77.0 142.1 40.8 -61.5 10.6 303 837 A P >> - 0 0 29 0, 0.0 3,-1.4 0, 0.0 4,-0.9 -0.306 37.7-104.0 -61.3 155.6 38.6 -59.9 13.3 304 838 A L H 3> S+ 0 0 0 -49,-3.1 4,-3.1 1,-0.3 3,-0.5 0.784 116.7 59.9 -56.6 -34.8 40.4 -57.6 15.8 305 839 A Y H 34 S+ 0 0 141 -50,-0.3 -1,-0.3 1,-0.3 9,-0.1 0.731 103.5 51.2 -70.5 -24.1 40.5 -60.1 18.7 306 840 A K H <4 S+ 0 0 110 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.703 115.7 43.5 -77.1 -24.6 42.5 -62.6 16.6 307 841 A I H < S+ 0 0 44 -4,-0.9 2,-0.9 -3,-0.5 -2,-0.2 0.889 108.6 57.7 -87.2 -46.6 44.9 -59.9 15.8 308 842 A I < + 0 0 3 -4,-3.1 -1,-0.2 1,-0.2 6,-0.1 -0.780 61.1 178.9 -91.9 103.7 45.2 -58.3 19.3 309 843 A K + 0 0 119 -2,-0.9 2,-0.3 -3,-0.1 -1,-0.2 0.749 55.9 90.3 -76.8 -26.8 46.4 -61.1 21.6 310 844 A H > - 0 0 68 1,-0.1 4,-1.7 2,-0.0 5,-0.1 -0.599 67.8-150.4 -76.9 128.7 46.6 -58.8 24.8 311 845 A E H > S+ 0 0 171 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.912 91.6 41.2 -71.6 -48.1 43.2 -58.9 26.6 312 846 A L H > S+ 0 0 74 1,-0.2 4,-2.2 2,-0.2 27,-0.2 0.855 117.2 49.8 -68.5 -35.5 43.2 -55.4 28.2 313 847 A F H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.819 108.9 52.8 -71.5 -32.6 44.6 -53.8 25.1 314 848 A C H X S+ 0 0 14 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.939 111.8 44.7 -65.7 -48.8 42.0 -55.6 23.0 315 849 A D H X S+ 0 0 92 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.895 113.5 52.1 -58.3 -44.1 39.2 -54.2 25.2 316 850 A F H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.891 111.1 47.1 -58.3 -43.3 40.9 -50.8 25.1 317 851 A L H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.859 107.5 54.2 -72.5 -38.6 41.0 -50.9 21.3 318 852 A Y H < S+ 0 0 62 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.823 105.1 56.0 -64.5 -33.1 37.4 -51.9 20.8 319 853 A S H < S+ 0 0 33 -4,-1.5 3,-0.3 -5,-0.2 -1,-0.2 0.915 114.8 38.8 -60.8 -44.9 36.3 -49.0 23.0 320 854 A I H < S+ 0 0 0 -4,-1.3 2,-2.4 1,-0.2 -2,-0.2 0.944 106.8 63.7 -72.3 -50.9 38.2 -46.6 20.6 321 855 A L < + 0 0 0 -4,-3.2 2,-0.5 -94,-0.1 -1,-0.2 -0.299 68.7 147.0 -79.9 57.3 37.3 -48.4 17.3 322 856 A Q - 0 0 46 -2,-2.4 6,-0.1 -3,-0.3 -3,-0.1 -0.826 43.5-149.9 -92.2 127.4 33.6 -47.7 17.5 323 857 A I S S+ 0 0 0 -2,-0.5 -113,-0.2 -65,-0.1 -1,-0.1 0.898 86.0 73.7 -66.3 -40.0 32.0 -47.2 14.1 324 858 A D S > S- 0 0 41 1,-0.2 3,-1.1 -3,-0.1 4,-0.4 -0.669 77.0-153.5 -72.1 115.4 29.3 -44.9 15.7 325 859 A P G > S+ 0 0 24 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.752 90.8 60.8 -65.2 -25.4 31.3 -41.7 16.4 326 860 A T G 3 S+ 0 0 115 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.687 101.1 54.6 -74.3 -19.4 28.9 -40.7 19.3 327 861 A L G < S+ 0 0 111 -3,-1.1 -1,-0.2 2,-0.1 -4,-0.1 0.512 84.2 107.9 -91.8 -7.7 29.9 -43.9 21.2 328 862 A R S < S- 0 0 14 -3,-0.7 -8,-0.1 -4,-0.4 2,-0.1 -0.497 71.4-120.6 -71.9 137.7 33.6 -43.2 21.0 329 863 A P - 0 0 21 0, 0.0 -1,-0.1 0, 0.0 -7,-0.1 -0.389 22.9-114.7 -75.2 156.0 35.2 -42.2 24.4 330 864 A S > - 0 0 25 -2,-0.1 4,-1.8 1,-0.1 3,-0.4 -0.465 30.4-106.7 -80.6 160.7 37.0 -38.9 24.9 331 865 A P H > S+ 0 0 3 0, 0.0 4,-1.3 0, 0.0 -199,-0.1 0.851 120.6 57.8 -56.1 -35.5 40.8 -38.8 25.5 332 866 A A H 4 S+ 0 0 42 1,-0.2 4,-0.2 2,-0.2 3,-0.1 0.873 106.8 47.3 -61.8 -39.9 40.1 -37.9 29.2 333 867 A E H >4 S+ 0 0 120 -3,-0.4 3,-1.3 1,-0.2 -1,-0.2 0.863 107.8 55.3 -70.5 -38.6 38.0 -41.1 29.7 334 868 A L H >< S+ 0 0 4 -4,-1.8 3,-1.4 1,-0.3 6,-0.3 0.775 96.1 65.2 -66.0 -30.4 40.6 -43.4 28.1 335 869 A L T 3< S+ 0 0 48 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.603 100.7 53.4 -67.3 -12.3 43.2 -42.2 30.5 336 870 A K T < S+ 0 0 163 -3,-1.3 -1,-0.3 -4,-0.2 -2,-0.2 0.455 83.6 119.7 -98.1 -6.2 41.1 -43.8 33.2 337 871 A H S X S- 0 0 33 -3,-1.4 3,-1.4 -4,-0.2 -3,-0.0 -0.291 75.1-118.8 -64.6 146.6 41.0 -47.2 31.4 338 872 A K G > S+ 0 0 139 1,-0.3 3,-1.3 2,-0.2 -1,-0.1 0.771 109.7 64.8 -57.8 -31.5 42.4 -50.2 33.2 339 873 A F G 3 S+ 0 0 9 1,-0.3 -1,-0.3 -27,-0.2 -26,-0.1 0.812 101.4 49.4 -62.0 -33.5 45.1 -50.8 30.5 340 874 A L G < 0 0 16 -3,-1.4 -1,-0.3 -6,-0.3 -2,-0.2 0.099 360.0 360.0 -96.9 22.0 46.8 -47.4 31.3 341 875 A E < 0 0 151 -3,-1.3 -2,-0.1 -5,-0.0 -3,-0.1 0.749 360.0 360.0-111.8 360.0 47.0 -48.0 35.1