==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-FEB-13 4JBF . COMPND 2 MOLECULE: PEPTIDOGLYCAN GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ATOPOBIUM PARVULUM; . AUTHOR E.V.FILIPPOVA,Z.WAWRZAK,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,G . 820 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 540 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 37 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 23.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 5 2 2 2 0 0 4 4 2 0 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 6 2 7 5 0 5 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 . 8 0 0 4 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 1 523 A S 0 0 101 0, 0.0 3,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.4 -2.7 45.3 0.7 2 524 A A + 0 0 60 1,-0.2 26,-2.0 3,-0.0 0, 0.0 -0.152 360.0 95.0-101.2 30.4 -2.8 43.7 -2.8 3 525 A Y + 0 0 93 24,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.456 61.8 86.0 -97.3 -9.2 1.0 43.5 -2.3 4 526 A V S S- 0 0 35 -3,-0.4 75,-0.1 24,-0.1 24,-0.1 -0.882 83.6-128.3 -97.5 115.9 0.8 39.9 -1.0 5 527 A Q - 0 0 57 -2,-0.7 75,-0.5 73,-0.3 2,-0.4 -0.284 16.2-131.1 -64.9 148.3 0.8 37.5 -3.9 6 528 A R - 0 0 43 57,-0.2 57,-0.2 73,-0.2 56,-0.1 -0.792 20.3-114.8-101.9 144.2 -1.9 34.8 -4.3 7 529 A G - 0 0 4 55,-1.8 74,-0.2 74,-0.4 75,-0.1 -0.356 38.4 -99.4 -72.0 155.7 -1.2 31.2 -5.0 8 530 A A - 0 0 18 72,-0.2 75,-2.4 -2,-0.1 2,-0.5 -0.124 20.5-133.4 -70.2 165.4 -2.3 29.7 -8.3 9 531 A I E +Ab 18 83A 0 9,-1.9 8,-3.1 73,-0.2 9,-1.1 -0.989 34.7 179.1-124.5 116.0 -5.5 27.5 -8.9 10 532 A I E -Ab 16 84A 29 73,-3.2 75,-3.3 -2,-0.5 6,-0.2 -0.935 26.4-118.9-128.4 147.2 -4.6 24.4 -10.9 11 533 A T > - 0 0 1 4,-2.6 3,-1.9 -2,-0.3 77,-0.2 -0.318 36.8-106.0 -76.7 159.3 -6.4 21.3 -12.3 12 534 A S T 3 S+ 0 0 49 75,-2.6 76,-0.2 1,-0.3 -1,-0.1 0.746 122.1 54.7 -57.7 -29.6 -5.5 17.8 -11.3 13 535 A D T 3 S- 0 0 58 74,-0.5 -1,-0.3 2,-0.1 75,-0.1 -0.002 126.7 -96.1 -97.7 26.7 -3.9 17.4 -14.7 14 536 A G S < S+ 0 0 56 -3,-1.9 2,-0.5 1,-0.2 -2,-0.1 0.615 73.9 141.6 74.6 19.8 -1.6 20.4 -14.3 15 537 A V - 0 0 32 19,-0.0 -4,-2.6 2,-0.0 2,-0.5 -0.804 44.9-137.3 -94.8 128.3 -3.5 23.2 -16.1 16 538 A T E +A 10 0A 41 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.1 -0.699 27.0 171.4 -87.6 125.5 -3.4 26.6 -14.4 17 539 A L E + 0 0 4 -8,-3.1 2,-0.3 -2,-0.5 -7,-0.2 0.479 69.8 29.3-107.2 -10.1 -6.7 28.5 -14.3 18 540 A A E +A 9 0A 0 -9,-1.1 -9,-1.9 14,-0.2 -1,-0.3 -0.895 64.9 157.3-156.1 127.7 -5.6 31.3 -12.0 19 541 A E - 0 0 72 12,-2.0 12,-0.3 -2,-0.3 2,-0.3 -0.337 25.0-134.7-123.9-158.4 -2.2 33.1 -11.4 20 542 A S 0 0 16 10,-0.2 10,-0.2 -2,-0.1 -12,-0.1 -0.878 360.0 360.0-168.6 138.4 -0.8 36.4 -10.1 21 543 A V 0 0 96 8,-1.1 8,-2.9 -2,-0.3 -15,-0.0 -0.973 360.0 360.0-141.7 360.0 2.0 38.7 -11.3 22 ! 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 23 545 A Q 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 151.0 3.3 44.4 -11.1 24 546 A D 0 0 184 1,-0.3 4,-0.1 4,-0.0 0, 0.0 0.822 360.0 360.0 -47.1 -38.7 6.0 47.1 -11.3 25 547 A D 0 0 125 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.779 360.0 360.0 -65.2 360.0 3.8 49.0 -8.9 26 ! 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 27 549 A T 0 0 36 0, 0.0 2,-0.3 0, 0.0 -24,-0.2 0.000 360.0 360.0 360.0 134.4 0.9 45.2 -6.3 28 550 A Y - 0 0 76 -26,-2.0 2,-0.4 -24,-0.1 -24,-0.1 -0.882 360.0-138.8-118.1 149.0 -0.2 42.0 -8.1 29 551 A V - 0 0 66 -8,-2.9 -8,-1.1 -2,-0.3 2,-0.7 -0.903 17.4-126.8-110.4 135.8 -2.8 41.3 -10.8 30 552 A R - 0 0 53 -2,-0.4 2,-0.3 -10,-0.2 -10,-0.2 -0.692 30.3-168.6 -83.6 115.3 -5.1 38.3 -10.9 31 553 A N - 0 0 77 -2,-0.7 -12,-2.0 -12,-0.3 -14,-0.0 -0.807 12.7-155.9-104.9 145.3 -4.9 36.6 -14.2 32 554 A Y > - 0 0 38 -2,-0.3 3,-0.8 -14,-0.2 -14,-0.2 -0.744 11.0-163.8-124.2 83.5 -7.2 33.9 -15.5 33 555 A P T 3 S+ 0 0 29 0, 0.0 4,-0.2 0, 0.0 3,-0.2 -0.279 80.9 21.6 -63.1 154.1 -5.7 31.6 -18.2 34 556 A H T > S- 0 0 126 1,-0.2 3,-2.6 2,-0.1 -17,-0.0 0.843 96.1-157.6 53.2 36.9 -8.0 29.5 -20.3 35 557 A D T < S+ 0 0 55 -3,-0.8 -1,-0.2 1,-0.3 3,-0.1 -0.143 73.0 37.5 -47.9 124.8 -10.5 32.1 -19.2 36 558 A G T > S+ 0 0 23 1,-0.4 3,-0.6 -3,-0.2 2,-0.5 0.113 84.5 118.9 113.6 -20.7 -13.9 30.6 -19.5 37 559 A X T < S- 0 0 34 -3,-2.6 -1,-0.4 1,-0.3 5,-0.1 -0.702 96.7 -19.9 -83.0 123.2 -12.9 27.1 -18.3 38 560 A A T 3> S+ 0 0 4 -2,-0.5 4,-2.7 54,-0.1 3,-0.4 0.842 83.5 167.9 47.6 44.6 -14.8 26.1 -15.1 39 561 A S H <> + 0 0 1 -3,-0.6 4,-3.6 1,-0.3 -2,-0.1 0.899 69.6 48.8 -56.1 -50.2 -15.6 29.8 -14.4 40 562 A H H 4 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.853 114.8 46.7 -59.4 -38.1 -18.1 29.2 -11.7 41 563 A T H 4 S+ 0 0 6 -3,-0.4 13,-2.4 78,-0.2 -1,-0.2 0.867 114.9 44.8 -72.2 -41.9 -15.8 26.8 -9.9 42 564 A V H < S+ 0 0 1 -4,-2.7 13,-2.1 11,-0.2 -2,-0.2 0.914 98.1 176.0 -68.0 -42.1 -12.7 29.0 -10.2 43 565 A G < - 0 0 0 -4,-3.6 2,-0.3 -5,-0.3 10,-0.2 -0.273 17.5-120.3 75.0-161.6 -14.9 31.9 -9.1 44 566 A Y E -E 52 0B 15 8,-1.2 8,-1.9 -4,-0.1 2,-0.4 -0.969 8.3-123.0-174.8 166.4 -14.0 35.5 -8.4 45 567 A I E +E 51 0B 93 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.959 42.8 160.5-129.8 104.0 -13.9 38.4 -5.8 46 568 A S E > -E 50 0B 27 4,-2.5 4,-2.5 -2,-0.4 -2,-0.1 -0.995 39.6-148.6-132.5 130.2 -15.8 41.3 -7.3 47 569 A T T 4 S+ 0 0 156 -2,-0.4 -1,-0.1 1,-0.2 4,-0.1 0.947 105.9 39.2 -60.7 -46.1 -17.2 44.3 -5.4 48 570 A Q T 4 S+ 0 0 137 1,-0.2 -1,-0.2 82,-0.1 -2,-0.0 0.926 127.6 30.9 -68.8 -48.6 -20.0 44.5 -7.9 49 571 A Y T 4 S- 0 0 74 1,-0.3 -2,-0.2 81,-0.1 -1,-0.2 0.470 101.1-130.2 -95.3 -0.9 -20.6 40.8 -8.5 50 572 A G E < -E 46 0B 32 -4,-2.5 -4,-2.5 2,-0.0 2,-0.3 -0.460 36.6 -59.2 86.8-164.1 -19.8 39.3 -5.1 51 573 A T E +E 45 0B 88 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.870 52.6 167.5-121.5 154.9 -17.5 36.4 -4.4 52 574 A A E > -E 44 0B 22 -8,-1.9 -8,-1.2 -2,-0.3 4,-0.9 -0.974 38.0 -3.0-161.2 158.0 -17.8 32.8 -5.7 53 575 A G H >> S- 0 0 27 -2,-0.3 4,-2.7 -10,-0.2 3,-0.9 0.117 107.7 -22.3 57.6-157.8 -15.8 29.5 -5.9 54 576 A I H 3> S+ 0 0 2 -13,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.861 127.5 65.1 -57.3 -42.8 -12.3 28.6 -4.9 55 577 A E H 34 S+ 0 0 2 -13,-2.1 -1,-0.3 -3,-0.3 -2,-0.2 0.879 118.1 28.6 -47.5 -41.6 -11.1 32.3 -5.1 56 578 A S H X< S+ 0 0 38 -3,-0.9 3,-2.2 -4,-0.9 4,-0.3 0.951 121.3 48.0 -84.5 -59.8 -13.5 32.9 -2.2 57 579 A S H 3< S+ 0 0 49 -4,-2.7 -3,-0.2 1,-0.3 3,-0.2 0.746 121.6 36.7 -56.0 -29.7 -13.7 29.6 -0.3 58 580 A X T 3X S+ 0 0 34 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.3 -0.042 81.7 126.7-111.5 28.8 -9.9 29.1 -0.2 59 581 A N H <> S+ 0 0 69 -3,-2.2 4,-2.7 1,-0.2 -1,-0.1 0.922 70.8 47.2 -51.6 -55.4 -9.1 32.7 0.3 60 582 A E H 4 S+ 0 0 170 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.926 114.2 48.4 -55.4 -46.5 -6.9 32.4 3.3 61 583 A T H 4 S+ 0 0 46 1,-0.2 20,-1.6 19,-0.1 -1,-0.2 0.908 112.9 48.6 -60.0 -44.0 -4.9 29.6 1.7 62 584 A L H < 0 0 0 -4,-2.6 -55,-1.8 18,-0.2 -1,-0.2 0.831 360.0 360.0 -67.8 -34.7 -4.5 31.7 -1.4 63 585 A T < 0 0 73 -4,-2.7 -58,-0.2 -57,-0.2 -57,-0.2 0.185 360.0 360.0 -20.1 360.0 -3.4 34.8 0.5 64 ! 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 65 592 A D >> 0 0 179 0, 0.0 3,-2.3 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 -67.2 3.0 40.6 13.4 66 593 A W T 34 + 0 0 200 1,-0.3 3,-0.2 2,-0.2 4,-0.2 0.737 360.0 51.8 -51.0 -28.0 5.8 43.3 13.8 67 594 A R T >4 S+ 0 0 22 1,-0.2 3,-1.0 2,-0.1 6,-0.3 0.627 92.0 74.5 -82.6 -20.4 6.2 43.2 10.0 68 595 A S T <4 S+ 0 0 93 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.786 85.6 64.3 -66.1 -28.2 2.5 43.7 9.3 69 596 A A T 3< S+ 0 0 80 -4,-0.7 2,-0.7 -3,-0.2 -1,-0.2 0.744 93.8 71.7 -65.6 -25.5 2.8 47.4 10.2 70 597 A L X - 0 0 77 -3,-1.0 3,-1.5 -4,-0.2 4,-0.5 -0.842 61.9-169.0 -98.0 110.4 5.1 47.8 7.2 71 598 A Y G > S+ 0 0 150 -2,-0.7 3,-1.3 1,-0.3 4,-0.5 0.864 86.5 65.8 -60.6 -39.4 3.4 47.7 3.8 72 599 A S G 3 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.626 104.2 46.8 -56.2 -19.9 6.8 47.5 2.1 73 600 A X G <> S+ 0 0 44 -3,-1.5 4,-1.5 -6,-0.3 5,-0.3 0.553 81.6 93.1-102.2 -8.0 7.3 44.1 3.7 74 601 A A H <> S+ 0 0 23 -3,-1.3 4,-1.1 -4,-0.5 -2,-0.1 0.894 94.7 39.6 -51.5 -44.2 4.0 42.4 3.0 75 602 A G H 4 S+ 0 0 22 -4,-0.5 -1,-0.2 1,-0.2 -70,-0.1 0.836 107.4 61.0 -77.7 -32.5 5.3 40.8 -0.2 76 603 A I H 4 S+ 0 0 148 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.895 108.9 40.4 -65.7 -41.6 8.8 39.9 0.9 77 604 A N H < S+ 0 0 117 -4,-1.5 2,-0.4 1,-0.2 -2,-0.2 0.968 120.6 22.3 -75.2 -53.0 7.9 37.6 3.7 78 605 A T < + 0 0 72 -4,-1.1 -73,-0.3 -5,-0.3 2,-0.2 -0.958 49.1 179.5-135.4 135.4 5.0 35.6 2.3 79 606 A T - 0 0 51 -2,-0.4 -73,-0.2 -75,-0.1 2,-0.1 -0.658 46.2 -82.7-110.6 167.6 3.5 34.7 -1.1 80 607 A G - 0 0 5 -75,-0.5 2,-0.4 -2,-0.2 -72,-0.2 -0.432 33.4-122.7 -80.0 148.6 0.3 32.5 -1.5 81 608 A S - 0 0 26 -20,-1.6 -74,-0.4 -74,-0.2 224,-0.2 -0.723 34.1-118.8 -88.5 135.7 0.1 28.7 -1.4 82 609 A S E - C 0 304A 22 222,-1.1 222,-1.8 -2,-0.4 2,-0.4 -0.159 15.9-135.9 -70.7 163.9 -1.4 27.1 -4.5 83 610 A V E -bC 9 303A 0 -75,-2.4 -73,-3.2 220,-0.2 2,-0.6 -0.990 7.7-159.4-127.7 125.3 -4.6 25.0 -4.8 84 611 A V E -bC 10 302A 5 218,-3.0 217,-2.8 -2,-0.4 218,-1.6 -0.930 16.7-154.0-104.0 116.0 -4.8 21.8 -6.9 85 612 A L E - C 0 300A 0 -75,-3.3 215,-0.3 -2,-0.6 -73,-0.1 -0.490 23.5-126.3 -83.7 160.7 -8.4 20.9 -7.7 86 613 A T S S+ 0 0 8 213,-1.9 214,-0.1 -2,-0.1 -1,-0.1 0.646 76.6 117.0 -74.9 -18.4 -9.8 17.4 -8.4 87 614 A I - 0 0 1 212,-0.6 -75,-2.6 -77,-0.1 2,-0.5 -0.284 59.4-146.4 -57.0 129.9 -11.2 18.8 -11.7 88 615 A N > - 0 0 30 29,-2.6 4,-2.3 -77,-0.2 5,-0.2 -0.914 6.9-142.3 -97.8 127.2 -9.6 17.1 -14.8 89 616 A S H > S+ 0 0 16 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.784 98.4 50.7 -64.6 -30.0 -9.2 19.6 -17.7 90 617 A Q H > S+ 0 0 101 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.894 113.0 45.4 -73.4 -40.8 -10.1 17.1 -20.4 91 618 A X H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.833 112.0 54.7 -67.4 -35.3 -13.3 15.9 -18.6 92 619 A Q H X S+ 0 0 0 -4,-2.3 4,-2.8 25,-0.2 -2,-0.2 0.889 107.4 48.6 -63.6 -39.7 -14.1 19.6 -18.0 93 620 A A H X S+ 0 0 39 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.829 109.5 52.7 -70.9 -34.5 -13.8 20.3 -21.7 94 621 A V H X S+ 0 0 8 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.929 112.6 44.4 -65.8 -44.6 -16.0 17.3 -22.5 95 622 A A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -2,-0.2 0.935 114.3 49.4 -68.2 -41.7 -18.8 18.6 -20.1 96 623 A E H >X S+ 0 0 46 -4,-2.8 3,-0.7 1,-0.2 4,-0.6 0.924 111.3 49.2 -63.0 -41.1 -18.4 22.2 -21.4 97 624 A A H >< S+ 0 0 23 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.872 106.2 58.1 -64.8 -37.2 -18.7 21.1 -25.0 98 625 A A H 3< S+ 0 0 17 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.721 105.6 49.1 -67.1 -21.7 -21.8 19.0 -24.2 99 626 A L H X< S+ 0 0 3 -4,-1.0 3,-2.5 -3,-0.7 -1,-0.2 0.495 77.2 128.3 -94.8 -9.5 -23.7 22.1 -22.9 100 627 A Q T << S+ 0 0 133 -3,-0.9 3,-0.1 -4,-0.6 -3,-0.0 -0.276 80.5 16.2 -49.9 127.8 -23.0 24.4 -25.9 101 628 A G T 3 S+ 0 0 78 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.480 117.5 86.9 85.0 5.2 -26.3 25.8 -27.2 102 629 A Y < - 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0 0 14 -3,-0.9 2,-0.6 -4,-0.3 -17,-0.4 0.927 32.3-170.7 55.6 63.3 -40.9 5.6 -15.7 205 738 A S >< - 0 0 0 -5,-2.5 4,-2.1 1,-0.2 -1,-0.2 -0.697 13.4-165.6 -85.2 116.4 -44.6 5.2 -14.6 206 739 A N H > S+ 0 0 20 -2,-0.6 4,-2.6 2,-0.2 5,-0.2 0.849 87.3 55.8 -63.6 -40.3 -45.8 7.8 -12.2 207 740 A T H > S+ 0 0 0 -33,-0.3 4,-1.0 1,-0.2 -1,-0.2 0.900 111.4 44.3 -64.6 -37.8 -48.9 5.9 -11.2 208 741 A A H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.938 116.7 43.8 -69.8 -50.1 -46.9 2.8 -10.2 209 742 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.812 106.8 60.5 -69.0 -30.5 -44.2 4.7 -8.3 210 743 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.888 102.6 54.4 -59.1 -39.5 -46.7 7.0 -6.5 211 744 A Q H X S+ 0 0 47 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.904 107.0 49.6 -61.9 -39.9 -48.2 3.7 -5.1 212 745 A L H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.915 110.3 50.6 -65.1 -39.6 -44.8 2.8 -3.7 213 746 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.903 110.2 49.3 -64.6 -43.6 -44.4 6.2 -2.2 214 747 A V H < S+ 0 0 56 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.928 110.9 51.5 -61.1 -38.0 -47.8 6.0 -0.5 215 748 A A H < S+ 0 0 51 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.855 112.5 45.0 -69.3 -32.7 -46.8 2.5 0.8 216 749 A L H < S- 0 0 9 -4,-2.1 4,-0.5 -5,-0.1 -1,-0.2 0.896 103.2-150.3 -75.3 -39.4 -43.6 3.8 2.2 217 750 A G X - 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0 0 13 -3,-0.8 2,-0.6 -4,-0.5 -17,-0.5 0.950 32.6-171.6 53.7 66.5 -33.6 13.3 -41.3 621 738 B S >< - 0 0 0 -5,-2.4 4,-1.9 1,-0.2 -1,-0.2 -0.739 13.8-165.0 -87.7 116.2 -37.4 13.8 -42.4 622 739 B N H > S+ 0 0 20 -2,-0.6 4,-2.9 2,-0.2 5,-0.2 0.857 88.1 54.2 -65.5 -41.3 -38.6 11.2 -44.9 623 740 B T H > S+ 0 0 0 -33,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.901 111.5 45.3 -64.4 -38.3 -41.7 13.1 -45.9 624 741 B A H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.945 117.4 42.5 -65.7 -53.8 -39.6 16.2 -46.8 625 742 B L H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.847 107.6 59.7 -65.8 -36.3 -36.9 14.3 -48.7 626 743 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.895 103.5 54.9 -55.0 -38.2 -39.4 12.1 -50.5 627 744 B Q H X S+ 0 0 49 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.874 107.6 47.8 -64.5 -38.0 -40.9 15.3 -51.9 628 745 B L H X S+ 0 0 0 -4,-1.2 4,-2.5 2,-0.2 5,-0.2 0.921 110.9 51.7 -66.6 -44.1 -37.5 16.4 -53.3 629 746 B G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.912 109.5 49.2 -58.4 -44.8 -37.1 12.9 -54.8 630 747 B V H < S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.897 111.1 51.0 -62.8 -34.8 -40.5 13.2 -56.4 631 748 B A H < S+ 0 0 53 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.859 111.8 46.1 -71.5 -37.2 -39.5 16.6 -57.8 632 749 B L H < S- 0 0 6 -4,-2.5 4,-0.5 -5,-0.1 -1,-0.2 0.867 104.5-148.7 -67.9 -40.7 -36.2 15.4 -59.2 633 750 B G X - 0 0 21 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.123 27.9 -69.9 85.8 162.2 -37.8 12.3 -60.8 634 751 B A H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.849 126.7 51.9 -57.9 -47.3 -36.6 8.8 -61.5 635 752 B D H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.906 114.1 44.1 -57.1 -49.6 -34.1 9.7 -64.3 636 753 B N H > S+ 0 0 52 -4,-0.5 4,-2.5 2,-0.2 5,-0.3 0.935 113.2 50.4 -59.9 -48.9 -32.4 12.3 -62.2 637 754 B L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.951 116.2 41.3 -58.2 -47.7 -32.3 10.2 -59.0 638 755 B V H X S+ 0 0 10 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.886 113.1 53.0 -68.2 -43.3 -30.7 7.3 -60.8 639 756 B S H X S+ 0 0 70 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.883 112.3 46.0 -55.3 -47.0 -28.3 9.4 -63.0 640 757 B Y H X S+ 0 0 34 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.922 111.5 49.9 -64.9 -45.0 -27.0 11.0 -59.9 641 758 B A H ><>S+ 0 0 0 -4,-2.5 5,-2.0 -5,-0.3 3,-0.7 0.939 113.8 47.6 -57.2 -46.8 -26.7 7.8 -57.9 642 759 B R H ><5S+ 0 0 149 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.909 105.6 57.0 -62.4 -43.7 -24.8 6.3 -60.9 643 760 B A H 3<5S+ 0 0 42 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.773 104.7 53.9 -59.1 -28.9 -22.5 9.3 -61.2 644 761 B F T <<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.496 136.9 -83.3 -79.1 -5.0 -21.5 8.7 -57.6 645 762 B G T X 5S+ 0 0 3 -3,-1.9 3,-2.7 -4,-0.4 14,-0.3 0.242 78.0 145.8 123.9 -13.0 -20.5 5.0 -58.5 646 763 B Y T 3 > - 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