==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 09-DEC-11 3V1R . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H P80; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOTROPIC MULV-RELATED VIRUS VP35; . AUTHOR D.ZHOU,A.WLODAWER . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9056.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 11.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 7 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 32.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 2 0 1 0 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 1 503 A H 0 0 251 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 69.0 -10.2 -4.8 6.8 2 504 A G - 0 0 24 92,-0.1 2,-0.1 2,-0.0 0, 0.0 -0.532 360.0 -52.3 106.2-177.1 -11.9 -8.2 6.1 3 505 A T S S- 0 0 53 -2,-0.2 87,-0.0 1,-0.1 116,-0.0 -0.218 71.6 -67.6 -89.3-178.6 -11.3 -11.1 3.8 4 506 A R > - 0 0 19 1,-0.2 3,-1.0 115,-0.1 -1,-0.1 -0.633 41.5-158.3 -74.8 115.9 -10.7 -11.1 0.0 5 507 A P T 3 S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.772 87.1 51.7 -66.4 -30.2 -14.0 -10.1 -1.6 6 508 A D T 3 S+ 0 0 73 2,-0.1 122,-0.2 123,-0.0 2,-0.1 0.381 75.0 128.3 -94.3 2.9 -13.2 -11.7 -5.0 7 509 A L < - 0 0 29 -3,-1.0 2,-0.3 120,-0.1 122,-0.2 -0.403 40.1-169.7 -60.0 129.8 -12.3 -15.2 -3.7 8 510 A T B -a 129 0A 43 120,-1.4 122,-2.1 -2,-0.1 4,-0.1 -0.898 31.7-146.5-127.7 153.7 -14.3 -17.9 -5.5 9 511 A D S S+ 0 0 74 -2,-0.3 123,-0.4 120,-0.2 120,-0.1 0.362 79.7 76.0 -97.0 2.2 -14.9 -21.6 -5.2 10 512 A Q S S- 0 0 115 121,-0.1 -2,-0.1 1,-0.0 2,-0.1 -0.880 91.3 -93.0-117.7 150.1 -15.1 -22.3 -8.9 11 513 A P - 0 0 62 0, 0.0 66,-0.1 0, 0.0 -2,-0.1 -0.334 32.7-138.5 -62.4 131.7 -12.4 -22.5 -11.6 12 514 A I > - 0 0 33 1,-0.1 3,-1.0 -4,-0.1 117,-0.1 -0.795 9.0-140.4 -91.1 134.8 -11.6 -19.3 -13.5 13 515 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 64,-0.0 0.761 95.3 47.6 -68.0 -31.1 -11.1 -19.9 -17.2 14 516 A D T 3 S+ 0 0 85 0, 0.0 61,-0.1 0, 0.0 -2,-0.0 0.337 79.2 147.6 -95.3 5.6 -8.2 -17.5 -17.8 15 517 A A < - 0 0 23 -3,-1.0 61,-0.2 1,-0.1 3,-0.1 -0.006 44.1-149.0 -52.6 142.8 -6.0 -18.6 -14.8 16 518 A D S S+ 0 0 75 59,-0.9 2,-0.4 1,-0.2 60,-0.2 0.846 85.6 31.5 -73.9 -39.0 -2.2 -18.4 -15.1 17 519 A Y E -b 76 0A 81 58,-2.7 60,-3.1 54,-0.1 2,-0.6 -0.983 56.9-170.6-128.4 129.8 -1.8 -21.4 -12.7 18 520 A T E +b 77 0A 58 -2,-0.4 23,-0.2 58,-0.2 60,-0.2 -0.946 31.2 168.3-112.2 108.7 -3.9 -24.4 -12.1 19 521 A W E -b 78 0A 13 58,-2.8 60,-2.0 -2,-0.6 2,-0.3 -0.611 28.9-147.1-118.2 175.7 -2.5 -26.2 -9.1 20 522 A Y E -bC 79 39A 6 19,-1.8 19,-2.6 58,-0.2 2,-0.4 -0.994 14.7-161.5-143.5 136.1 -3.3 -28.9 -6.6 21 523 A T E +bC 80 38A 0 58,-2.2 60,-0.6 -2,-0.3 2,-0.3 -0.923 9.9 175.2-124.4 144.8 -2.3 -29.1 -2.9 22 524 A D E - C 0 37A 3 15,-2.1 15,-2.0 -2,-0.4 2,-0.3 -0.986 13.1-161.8-148.1 139.7 -2.1 -31.9 -0.4 23 525 A G E - C 0 36A 3 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.757 13.6-167.8-103.2 163.4 -0.9 -32.4 3.2 24 526 A S E - C 0 35A 3 11,-1.8 11,-2.1 -2,-0.3 2,-0.4 -0.971 10.4-177.5-152.5 140.9 -0.1 -35.7 4.8 25 527 A S E + C 0 34A 24 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.968 18.1 149.0-139.8 122.9 0.5 -37.0 8.3 26 528 A F E - C 0 33A 50 7,-2.4 7,-2.3 -2,-0.4 2,-0.8 -0.916 49.1-100.1-142.1 168.1 1.4 -40.5 9.3 27 529 A L E + C 0 32A 117 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.843 45.3 169.9 -95.2 111.0 3.3 -42.4 11.9 28 530 A Q - 0 0 52 3,-3.0 3,-0.1 -2,-0.8 -2,-0.0 -0.983 66.4 -3.1-123.8 127.1 6.7 -43.4 10.5 29 531 A E S S- 0 0 142 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.984 131.4 -54.1 56.3 61.5 9.5 -44.8 12.7 30 532 A G S S+ 0 0 84 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.770 125.2 93.9 48.3 31.9 7.5 -44.4 15.9 31 533 A Q S S- 0 0 88 -3,-0.1 -3,-3.0 2,-0.0 2,-0.8 -0.987 81.3-108.7-150.9 154.3 7.0 -40.8 15.0 32 534 A R E -C 27 0A 89 -2,-0.3 21,-2.0 -5,-0.3 22,-0.5 -0.783 35.8-172.5 -93.5 110.5 4.6 -38.5 13.2 33 535 A R E -C 26 0A 52 -7,-2.3 -7,-2.4 -2,-0.8 2,-0.3 -0.797 2.5-172.4 -98.9 141.5 5.9 -37.3 9.9 34 536 A A E -CD 25 50A 1 16,-0.8 16,-3.2 -2,-0.4 2,-0.3 -0.938 5.5-179.9-131.4 156.3 4.1 -34.7 7.9 35 537 A G E -CD 24 49A 0 -11,-2.1 -11,-1.8 -2,-0.3 2,-0.3 -0.988 10.3-156.5-151.6 157.8 4.5 -33.3 4.4 36 538 A A E -CD 23 48A 0 12,-2.4 12,-2.2 -2,-0.3 2,-0.3 -0.988 12.5-176.2-139.3 146.6 3.0 -30.7 2.1 37 539 A A E -CD 22 47A 0 -15,-2.0 -15,-2.1 -2,-0.3 2,-0.4 -1.000 19.1-164.9-148.9 143.2 3.0 -30.3 -1.7 38 540 A V E +CD 21 46A 0 8,-2.8 8,-2.3 -2,-0.3 7,-1.3 -0.991 33.0 154.6-125.7 120.6 1.8 -28.0 -4.5 39 541 A T E -CD 20 44A 0 -19,-2.6 -19,-1.8 -2,-0.4 5,-0.2 -0.862 38.5-127.1-139.1 166.4 1.8 -29.5 -8.0 40 542 A T - 0 0 29 3,-3.5 -21,-0.1 -2,-0.3 5,-0.1 -0.307 51.9 -87.5 -93.2-169.2 0.3 -29.4 -11.4 41 543 A E S S+ 0 0 70 -23,-0.2 108,-0.1 1,-0.1 -22,-0.0 0.968 125.9 24.0 -60.5 -54.5 -1.1 -32.5 -13.1 42 544 A T S S+ 0 0 122 1,-0.1 2,-0.3 -3,-0.0 -1,-0.1 0.554 123.7 37.8 -95.1 -9.2 2.3 -33.5 -14.5 43 545 A E - 0 0 115 0, 0.0 -3,-3.5 0, 0.0 2,-0.6 -0.987 69.8-116.4-150.3 154.4 4.8 -31.9 -12.3 44 546 A V E -D 39 0A 64 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.795 20.8-178.3 -94.3 115.3 5.7 -30.9 -8.7 45 547 A I E S- 0 0 61 -7,-1.3 2,-0.3 -2,-0.6 -6,-0.2 0.954 70.9 -10.2 -72.3 -54.1 6.0 -27.2 -8.0 46 548 A W E +D 38 0A 38 -8,-2.3 -8,-2.8 2,-0.0 2,-0.3 -0.992 61.4 172.2-151.4 139.7 7.0 -27.4 -4.4 47 549 A A E +D 37 0A 26 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.990 5.4 172.0-150.1 142.7 7.2 -30.1 -1.7 48 550 A R E -D 36 0A 134 -12,-2.2 -12,-2.4 -2,-0.3 110,-0.2 -0.998 31.4-121.3-149.9 145.7 8.5 -30.2 1.9 49 551 A A E -D 35 0A 43 -2,-0.3 -14,-0.3 108,-0.3 109,-0.1 -0.520 37.6-141.9 -75.1 155.6 8.6 -32.4 5.0 50 552 A L E -D 34 0A 27 -16,-3.2 -16,-0.8 -2,-0.2 4,-0.1 -0.811 27.8 -72.3-123.7 161.3 7.2 -30.8 8.0 51 553 A P > - 0 0 95 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.153 63.6 -94.8 -49.7 142.5 8.0 -30.7 11.8 52 554 A A T 3 S+ 0 0 56 1,-0.2 -19,-0.2 -19,-0.1 3,-0.1 -0.234 109.7 36.2 -61.5 150.1 7.2 -34.0 13.5 53 555 A G T 3 S+ 0 0 51 -21,-2.0 2,-0.4 1,-0.3 -1,-0.2 0.502 81.7 149.0 84.3 5.2 3.8 -34.2 15.2 54 556 A T < - 0 0 4 -3,-1.1 -1,-0.3 -22,-0.5 -19,-0.1 -0.580 43.0-129.4 -76.6 128.9 2.1 -32.1 12.5 55 557 A S > - 0 0 45 -2,-0.4 4,-1.9 -3,-0.1 -31,-0.2 -0.289 16.4-117.0 -73.0 160.0 -1.5 -33.0 11.8 56 558 A A H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.916 114.9 53.1 -59.6 -45.5 -2.9 -33.7 8.3 57 559 A Q H > S+ 0 0 84 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.919 108.9 47.9 -60.1 -46.8 -5.2 -30.7 8.5 58 560 A R H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.894 109.5 54.2 -60.2 -41.6 -2.3 -28.3 9.3 59 561 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.925 107.5 50.5 -57.8 -45.1 -0.3 -29.8 6.5 60 562 A E H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.954 109.8 51.1 -55.7 -51.3 -3.2 -29.1 4.2 61 563 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.919 110.9 47.3 -51.5 -52.3 -3.2 -25.5 5.5 62 564 A I H X S+ 0 0 42 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.903 110.7 51.6 -59.5 -44.3 0.5 -25.0 4.9 63 565 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.952 112.4 46.6 -57.9 -49.8 0.3 -26.5 1.4 64 566 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.942 111.2 50.3 -56.5 -53.0 -2.5 -24.1 0.5 65 567 A T H X S+ 0 0 8 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.896 110.5 51.8 -53.3 -42.4 -0.8 -21.1 2.0 66 568 A Q H X S+ 0 0 42 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.947 106.6 51.9 -61.0 -50.8 2.3 -22.0 -0.0 67 569 A A H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.906 111.1 50.1 -50.0 -44.2 0.3 -22.3 -3.3 68 570 A L H >< S+ 0 0 0 -4,-2.5 3,-0.6 2,-0.2 -2,-0.2 0.945 110.0 48.4 -60.7 -50.4 -1.0 -18.8 -2.5 69 571 A K H >< S+ 0 0 109 -4,-2.6 3,-1.3 1,-0.3 -2,-0.2 0.906 111.9 48.6 -58.9 -45.3 2.5 -17.3 -1.8 70 572 A M H 3< S+ 0 0 58 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.726 107.6 57.7 -66.9 -21.3 3.9 -18.7 -5.0 71 573 A A T X< S+ 0 0 0 -4,-1.1 3,-2.3 -3,-0.6 55,-0.5 0.351 76.1 145.5 -92.9 6.0 0.9 -17.4 -7.0 72 574 A E B < S+F 125 0B 129 -3,-1.3 3,-0.1 1,-0.3 52,-0.1 -0.120 72.2 6.9 -51.0 132.9 1.5 -13.8 -6.0 73 575 A G T 3 S+ 0 0 46 51,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.423 118.6 90.0 77.2 -2.0 0.6 -11.2 -8.6 74 576 A K S < S- 0 0 89 -3,-2.3 52,-1.9 53,-0.0 53,-1.5 -0.552 84.5 -96.0-117.0-179.4 -0.8 -14.0 -10.8 75 577 A K E - e 0 127A 19 51,-0.2 -58,-2.7 -2,-0.2 -59,-0.9 -0.900 43.3-166.6-104.0 122.2 -4.1 -15.8 -11.4 76 578 A L E -be 17 128A 0 51,-2.8 53,-2.0 -2,-0.5 2,-0.5 -0.921 24.6-174.3-121.2 131.2 -4.6 -19.0 -9.5 77 579 A N E -be 18 129A 6 -60,-3.1 -58,-2.8 -2,-0.4 2,-0.5 -0.973 24.4-176.9-110.9 111.0 -6.9 -22.0 -9.6 78 580 A V E -be 19 130A 0 51,-2.9 53,-2.8 -2,-0.5 2,-0.4 -0.938 13.1-153.1-119.6 130.2 -6.1 -24.2 -6.7 79 581 A Y E -be 20 131A 24 -60,-2.0 -58,-2.2 -2,-0.5 2,-0.4 -0.839 12.6-178.2-104.7 131.7 -7.7 -27.6 -5.9 80 582 A T E -be 21 132A 3 51,-2.5 53,-2.1 -2,-0.4 -58,-0.1 -0.980 23.3-160.8-128.0 140.7 -7.9 -29.0 -2.4 81 583 A D + 0 0 28 -60,-0.6 2,-0.7 -2,-0.4 54,-0.5 0.378 68.7 99.2 -95.3 2.8 -9.4 -32.3 -1.2 82 584 A S > - 0 0 13 1,-0.2 4,-2.4 52,-0.1 5,-0.2 -0.816 52.3-168.9 -95.9 115.0 -9.7 -31.1 2.3 83 585 A R H > S+ 0 0 198 -2,-0.7 4,-2.8 2,-0.2 5,-0.2 0.883 92.7 56.6 -64.1 -37.1 -13.1 -29.9 3.4 84 586 A Y H > S+ 0 0 56 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.956 110.0 42.0 -57.5 -54.7 -11.5 -28.5 6.5 85 587 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.943 114.8 50.4 -58.0 -53.1 -9.0 -26.4 4.5 86 588 A F H X S+ 0 0 44 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.940 113.7 45.6 -51.1 -53.3 -11.6 -25.2 2.0 87 589 A A H X>S+ 0 0 25 -4,-2.8 4,-3.8 2,-0.2 5,-1.3 0.921 111.9 50.8 -56.9 -48.9 -14.0 -24.2 4.8 88 590 A T H <>S+ 0 0 2 -4,-2.7 5,-2.3 -5,-0.2 6,-0.5 0.928 113.2 46.5 -57.0 -47.5 -11.3 -22.5 6.8 89 591 A A H <5S+ 0 0 2 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.923 122.7 33.1 -61.0 -49.4 -10.3 -20.5 3.7 90 592 A H H <5S- 0 0 52 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.857 139.7 -8.6 -79.3 -36.1 -13.8 -19.5 2.6 91 593 A V T X5S+ 0 0 71 -4,-3.8 4,-1.3 -5,-0.3 -3,-0.2 0.734 119.6 51.7-127.2 -64.5 -15.6 -19.2 6.0 92 594 A H H > S+ 0 0 10 -6,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.844 115.1 50.3 -63.0 -35.2 -12.1 -14.8 8.8 95 597 A I H X S+ 0 0 56 -4,-1.3 4,-1.9 2,-0.2 6,-0.2 0.960 110.0 48.4 -67.1 -51.8 -14.7 -15.4 11.4 96 598 A Y H X>S+ 0 0 67 -4,-2.9 5,-2.2 1,-0.2 4,-0.7 0.929 115.8 46.6 -51.2 -48.6 -12.3 -16.7 14.0 97 599 A R H ><5S+ 0 0 96 -4,-2.7 3,-2.0 -5,-0.2 -2,-0.2 0.960 110.3 49.0 -60.1 -55.8 -10.0 -13.8 13.2 98 600 A R H 3<5S+ 0 0 160 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.749 108.6 57.1 -61.3 -22.6 -12.7 -11.1 13.4 99 601 A R H 3<5S- 0 0 170 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.708 113.1-120.7 -77.5 -20.7 -13.8 -12.6 16.7 100 602 A G T <<5S+ 0 0 36 -3,-2.0 4,-0.4 -4,-0.7 -3,-0.2 0.587 80.4 122.2 87.6 12.7 -10.3 -12.1 18.1 101 603 A L < + 0 0 58 -5,-2.2 -4,-0.2 -6,-0.2 8,-0.2 0.710 63.0 59.9 -78.6 -22.4 -10.1 -15.9 18.6 102 604 A L S S+ 0 0 6 -6,-0.7 -1,-0.2 1,-0.2 -5,-0.1 0.827 109.6 39.3 -78.7 -32.4 -7.0 -16.4 16.5 103 605 A T S S+ 0 0 119 -6,-0.2 -1,-0.2 -3,-0.1 -2,-0.2 0.453 100.5 96.3 -96.1 -1.7 -4.7 -14.1 18.6 104 606 A S S S- 0 0 56 -4,-0.4 -3,-0.1 2,-0.1 -4,-0.0 -0.040 87.9-108.6 -77.1-175.5 -6.1 -15.2 22.0 105 607 A E S S+ 0 0 198 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.508 78.3 123.6 -89.6 -7.9 -4.7 -17.8 24.4 106 608 A G - 0 0 31 1,-0.2 3,-0.5 -5,-0.1 -2,-0.1 -0.353 41.8-172.6 -64.3 124.3 -7.6 -20.1 23.5 107 609 A R + 0 0 188 1,-0.2 -1,-0.2 -2,-0.2 4,-0.1 0.375 65.6 98.6 -95.1 1.9 -6.5 -23.5 22.2 108 610 A E S S+ 0 0 184 -7,-0.1 2,-0.4 2,-0.1 -1,-0.2 0.645 79.0 66.4 -63.4 -13.7 -10.1 -24.4 21.4 109 611 A I S S- 0 0 18 -3,-0.5 3,-0.4 -8,-0.2 2,-0.3 -0.931 83.4-141.9-108.2 135.2 -9.1 -23.4 17.9 110 612 A K S S+ 0 0 148 -2,-0.4 5,-0.1 1,-0.2 -2,-0.1 -0.763 72.8 8.3-100.5 142.9 -6.5 -25.5 16.0 111 613 A N > + 0 0 12 -2,-0.3 4,-2.6 3,-0.1 -1,-0.2 0.870 69.0 164.0 63.3 42.2 -3.7 -24.2 13.8 112 614 A K H > S+ 0 0 12 -3,-0.4 4,-2.7 1,-0.2 5,-0.2 0.890 73.0 49.9 -57.4 -45.2 -4.3 -20.5 14.6 113 615 A N H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.903 111.3 49.1 -63.2 -42.1 -0.9 -19.5 13.1 114 616 A E H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 110.7 51.9 -59.7 -44.6 -1.5 -21.4 9.9 115 617 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.944 111.4 45.5 -59.0 -50.3 -5.0 -19.8 9.7 116 618 A L H X S+ 0 0 42 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.936 112.0 51.8 -58.1 -48.4 -3.6 -16.3 10.1 117 619 A A H X S+ 0 0 26 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.893 111.8 47.5 -55.9 -42.7 -0.8 -17.0 7.6 118 620 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.920 108.1 53.1 -65.0 -48.2 -3.4 -18.2 5.1 119 621 A L H < S+ 0 0 13 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.885 112.2 47.7 -55.2 -38.8 -5.7 -15.2 5.6 120 622 A K H >< S+ 0 0 154 -4,-2.4 3,-1.0 -5,-0.2 -1,-0.2 0.882 110.5 51.7 -67.8 -38.8 -2.6 -13.0 4.9 121 623 A A H >< S+ 0 0 2 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.753 90.2 77.1 -71.1 -27.6 -1.7 -15.1 1.8 122 624 A L T 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.697 91.6 55.9 -57.8 -20.9 -5.2 -14.8 0.3 123 625 A F T < S+ 0 0 108 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.583 89.5 76.9 -89.1 -11.0 -4.4 -11.3 -0.8 124 626 A L S < S+ 0 0 59 -3,-2.0 -51,-2.3 -4,-0.2 -2,-0.2 0.943 75.9 78.2 -67.7 -50.5 -1.2 -12.2 -2.8 125 627 A P B S-F 72 0B 2 0, 0.0 -53,-0.2 0, 0.0 3,-0.2 -0.336 75.6-137.5 -63.9 141.8 -2.8 -13.7 -6.0 126 628 A K S S+ 0 0 100 -52,-1.9 2,-0.3 -55,-0.5 -51,-0.2 0.913 95.1 8.7 -62.6 -44.8 -4.1 -11.1 -8.5 127 629 A R E S- e 0 75A 133 -53,-1.5 -51,-2.8 2,-0.0 2,-0.4 -0.997 83.2-162.5-139.3 137.6 -7.1 -13.3 -9.0 128 630 A L E + e 0 76A 2 -2,-0.3 -120,-1.4 -122,-0.2 2,-0.4 -0.964 19.2 175.2-135.8 134.2 -8.0 -16.3 -6.9 129 631 A S E -ae 8 77A 0 -53,-2.0 -51,-2.9 -2,-0.4 2,-0.7 -0.948 8.4-169.1-135.1 116.6 -10.1 -19.5 -6.9 130 632 A I E - e 0 78A 0 -122,-2.1 2,-0.3 -2,-0.4 -51,-0.2 -0.909 18.2-174.9-104.4 110.1 -10.0 -22.1 -4.2 131 633 A I E - e 0 79A 10 -53,-2.8 -51,-2.5 -2,-0.7 2,-0.5 -0.788 16.0-142.6-109.6 146.7 -11.9 -25.1 -5.3 132 634 A H E + e 0 80A 58 -123,-0.4 -51,-0.2 -2,-0.3 -53,-0.1 -0.928 21.3 171.5-110.0 130.2 -12.7 -28.3 -3.4 133 635 A C - 0 0 35 -53,-2.1 2,-0.2 -2,-0.5 -2,-0.0 -0.993 43.1-102.0-130.2 142.0 -12.8 -31.8 -5.0 134 636 A P - 0 0 88 0, 0.0 3,-0.1 0, 0.0 -52,-0.1 -0.468 48.9-133.4 -58.6 129.4 -13.1 -35.1 -3.3 135 637 A G S S+ 0 0 21 -54,-0.5 9,-0.1 -2,-0.2 -55,-0.0 -0.181 76.3 37.2 -83.4 175.7 -9.6 -36.5 -3.2 136 638 A H S S- 0 0 112 8,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.952 81.0-176.2 45.9 64.4 -8.3 -39.9 -4.1 137 639 A Q - 0 0 92 7,-0.2 -1,-0.2 1,-0.1 11,-0.1 -0.706 36.6-146.1 -96.2 141.8 -10.7 -40.3 -7.0 138 640 A K S S+ 0 0 194 -2,-0.3 -1,-0.1 2,-0.0 -2,-0.1 0.740 73.2 107.4 -70.3 -23.4 -11.0 -43.4 -9.1 139 641 A G - 0 0 26 1,-0.1 -2,-0.1 5,-0.0 -3,-0.0 -0.080 69.7-141.7 -58.7 153.1 -11.8 -41.0 -12.0 140 642 A N + 0 0 135 4,-0.1 -1,-0.1 5,-0.0 5,-0.1 0.358 58.5 128.9 -94.8 3.5 -9.3 -40.3 -14.8 141 643 A S S >> S- 0 0 60 1,-0.1 4,-2.2 3,-0.1 3,-0.6 -0.134 74.0-108.3 -63.5 156.5 -10.2 -36.5 -14.9 142 644 A A H 3> S+ 0 0 25 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.809 119.1 51.9 -56.1 -34.6 -7.5 -33.9 -14.8 143 645 A E H 3> S+ 0 0 73 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.841 107.9 51.0 -73.7 -34.6 -8.4 -32.9 -11.2 144 646 A A H <> S+ 0 0 7 -3,-0.6 4,-2.6 2,-0.2 -7,-0.2 0.931 112.9 45.6 -65.9 -46.4 -8.2 -36.5 -10.0 145 647 A R H X S+ 0 0 100 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.864 111.8 53.5 -63.6 -37.1 -4.8 -36.9 -11.5 146 648 A G H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.3 -2,-0.2 0.951 110.2 46.4 -61.0 -50.0 -3.8 -33.5 -10.0 147 649 A N H X S+ 0 0 12 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.911 112.4 49.1 -60.2 -46.6 -4.9 -34.6 -6.6 148 650 A R H X S+ 0 0 92 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.913 110.9 52.4 -59.3 -42.0 -3.1 -37.9 -6.8 149 651 A M H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.950 112.7 43.2 -57.4 -53.4 -0.0 -36.0 -8.0 150 652 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -128,-0.2 0.934 113.0 52.4 -58.3 -50.2 -0.1 -33.7 -5.0 151 653 A D H X S+ 0 0 17 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.946 112.3 44.7 -50.7 -54.9 -0.9 -36.5 -2.5 152 654 A Q H X S+ 0 0 120 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.854 110.8 56.1 -59.8 -37.6 2.1 -38.5 -3.7 153 655 A A H X S+ 0 0 3 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.944 110.3 43.4 -61.0 -49.7 4.2 -35.4 -3.7 154 656 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -118,-0.2 0.968 114.2 48.8 -61.1 -55.0 3.5 -34.7 -0.0 155 657 A R H X S+ 0 0 76 -4,-2.6 4,-2.7 1,-0.3 5,-0.2 0.900 112.6 49.2 -54.2 -43.1 3.9 -38.3 1.1 156 658 A E H X S+ 0 0 106 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.889 106.4 57.6 -60.7 -39.6 7.2 -38.5 -0.8 157 659 A A H X S+ 0 0 14 -4,-2.1 4,-1.4 -5,-0.2 -108,-0.3 0.919 112.2 40.7 -59.6 -43.9 8.3 -35.3 0.8 158 660 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 3,-0.2 0.976 116.3 46.6 -66.6 -56.8 7.8 -36.8 4.3 159 661 A M H X S+ 0 0 80 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.892 111.8 52.4 -54.4 -45.0 9.2 -40.3 3.6 160 662 A K H X S+ 0 0 102 -4,-2.7 4,-0.7 -5,-0.2 -1,-0.2 0.886 107.7 51.8 -59.1 -41.9 12.3 -38.8 1.9 161 663 A A H >< S+ 0 0 43 -4,-1.4 3,-0.5 -5,-0.3 -1,-0.2 0.890 107.8 53.6 -64.2 -39.4 13.0 -36.6 4.8 162 664 A V H >< S+ 0 0 29 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.923 113.0 39.8 -59.4 -47.8 12.8 -39.5 7.2 163 665 A L H 3< S+ 0 0 127 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.403 97.9 75.1 -91.7 2.6 15.4 -41.7 5.4 164 666 A E T << 0 0 125 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.410 360.0 360.0 -91.3 2.0 17.9 -39.0 4.4 165 667 A T < 0 0 161 -3,-0.7 -1,-0.2 -4,-0.2 -4,-0.0 -0.887 360.0 360.0-123.6 360.0 19.2 -38.8 8.0