==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-JUN-12 4AZG . COMPND 2 MOLECULE: BETA-N-ACETYLHEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.PLUVINAGE,K.A.STUBBS,D.J.VOCADLO,A.B.BORASTON . 825 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34793.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 595 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 2.9 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 72 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 275 33.3 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 2 0 4 5 0 2 3 0 1 3 2 3 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 5 5 2 2 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 PARALLEL BRIDGES PER LADDER . 4 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 0 0 0 0 2 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 1 622 A R 0 0 185 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 96.1 11.9 8.1 62.3 2 623 A G - 0 0 28 1,-0.1 2,-0.1 4,-0.1 0, 0.0 0.186 360.0-102.2 -64.7 166.7 8.1 8.8 61.7 3 624 A S > - 0 0 61 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.302 46.2 -96.7 -68.1 168.2 5.2 6.9 60.2 4 625 A H H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.872 128.0 53.0 -53.2 -37.0 4.0 7.8 56.7 5 626 A M H > S+ 0 0 160 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.892 110.8 43.3 -69.0 -43.2 1.4 10.0 58.3 6 627 A E H > S+ 0 0 119 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.866 113.4 53.6 -68.3 -39.2 3.9 12.0 60.5 7 628 A K H >< S+ 0 0 13 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.942 111.8 43.2 -63.2 -49.9 6.3 12.3 57.6 8 629 A L H 3< S+ 0 0 39 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.784 104.5 64.8 -68.6 -27.9 3.6 13.8 55.3 9 630 A A H 3< S+ 0 0 80 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.719 83.4 97.3 -68.3 -17.6 2.3 16.1 58.0 10 631 A K S << S- 0 0 46 -3,-0.9 314,-0.3 -4,-0.8 2,-0.3 -0.417 84.4-108.2 -70.1 146.9 5.6 18.0 58.1 11 632 A N E -a 324 0A 39 312,-3.0 314,-1.9 30,-0.1 2,-0.5 -0.589 25.0-163.5 -69.7 134.4 5.9 21.2 56.1 12 633 A K E -a 325 0A 3 -2,-0.3 29,-2.3 312,-0.2 30,-2.0 -0.967 21.6-173.8-116.4 111.6 8.1 21.0 52.9 13 634 A V E -ab 326 42A 0 312,-2.5 314,-2.5 -2,-0.5 2,-0.5 -0.865 24.4-161.8-117.1 132.9 8.8 24.7 52.0 14 635 A I E -ab 327 43A 0 28,-1.9 30,-2.3 -2,-0.4 2,-0.4 -0.975 21.9-150.6-105.2 124.3 10.5 26.3 49.1 15 636 A S E -ab 328 44A 0 312,-3.3 314,-2.3 -2,-0.5 2,-0.5 -0.807 10.0-167.1-100.9 134.3 11.5 29.9 49.9 16 637 A I E -ab 329 45A 0 28,-3.1 30,-2.6 -2,-0.4 2,-1.7 -0.973 17.9-141.4-124.4 122.7 11.8 32.7 47.4 17 638 A D E > + b 0 46A 1 312,-1.7 4,-0.6 -2,-0.5 30,-0.1 -0.604 40.1 151.0 -82.1 84.6 13.5 36.0 48.0 18 639 A A T 4 + 0 0 3 -2,-1.7 5,-0.2 28,-0.9 -1,-0.2 0.056 59.7 78.0-100.3 22.2 11.1 38.4 46.2 19 640 A G T 4 S+ 0 0 0 29,-0.2 -1,-0.1 33,-0.1 30,-0.1 0.862 103.3 32.0 -85.9 -50.8 12.0 41.2 48.6 20 641 A R T 4 S+ 0 0 23 30,-0.1 2,-0.3 1,-0.1 -2,-0.2 0.816 129.2 33.3 -71.9 -30.7 15.3 42.0 46.9 21 642 A K S < S- 0 0 6 -4,-0.6 2,-0.3 30,-0.1 -1,-0.1 -0.944 81.8-111.4-139.5 144.0 14.2 41.0 43.4 22 643 A Y - 0 0 15 -2,-0.3 2,-0.4 68,-0.2 -3,-0.1 -0.565 28.4-176.1 -79.8 136.1 11.1 41.2 41.3 23 644 A F - 0 0 5 -2,-0.3 -5,-0.0 -5,-0.2 68,-0.0 -0.997 24.2-125.1-127.6 135.0 9.3 38.0 40.3 24 645 A T > - 0 0 14 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.322 24.0-112.3 -72.9 162.0 6.2 38.1 38.1 25 646 A L H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.887 121.0 52.9 -57.4 -39.7 3.0 36.5 39.1 26 647 A N H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 106.7 50.9 -65.4 -43.0 3.6 33.9 36.3 27 648 A Q H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.859 113.2 45.8 -56.0 -39.3 7.0 33.1 37.6 28 649 A L H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.875 110.0 53.4 -80.9 -35.1 5.6 32.5 41.1 29 650 A K H X S+ 0 0 36 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.908 108.2 51.4 -57.7 -42.7 2.7 30.5 39.8 30 651 A R H X S+ 0 0 116 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.927 109.7 49.1 -65.5 -41.0 5.2 28.3 38.0 31 652 A I H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.933 112.2 48.9 -57.8 -46.6 7.1 27.8 41.2 32 653 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.932 112.1 48.2 -59.1 -48.3 3.8 27.0 43.0 33 654 A D H X S+ 0 0 52 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.940 114.2 45.9 -57.9 -50.6 2.9 24.5 40.3 34 655 A K H X S+ 0 0 36 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.860 111.3 52.8 -61.7 -38.6 6.5 22.9 40.5 35 656 A A H X>S+ 0 0 0 -4,-3.0 5,-2.5 -5,-0.2 4,-0.8 0.921 110.9 47.8 -61.3 -42.6 6.3 22.8 44.3 36 657 A S H <5S+ 0 0 9 -4,-2.5 3,-0.5 1,-0.2 326,-0.4 0.903 111.1 50.5 -64.4 -41.8 2.9 21.0 44.1 37 658 A E H <5S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 111.4 47.0 -63.4 -41.7 4.3 18.5 41.5 38 659 A L H <5S- 0 0 2 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.547 120.9-103.5 -85.1 -9.0 7.4 17.6 43.7 39 660 A G T <5 + 0 0 1 -4,-0.8 320,-1.6 -3,-0.5 -3,-0.2 0.615 66.5 148.6 100.2 15.3 5.4 17.2 46.8 40 661 A Y < - 0 0 5 -5,-2.5 -1,-0.2 -6,-0.2 -27,-0.2 -0.330 37.1-152.0 -68.5 160.8 6.1 20.4 48.8 41 662 A S + 0 0 29 -29,-2.3 70,-2.9 1,-0.2 2,-0.3 0.671 68.7 24.0-103.9 -27.7 3.4 21.8 51.1 42 663 A D E -bc 13 111A 18 -30,-2.0 -28,-1.9 68,-0.3 2,-0.5 -0.984 52.8-143.4-145.3 151.6 4.2 25.6 51.1 43 664 A V E -bc 14 112A 3 68,-2.8 70,-3.3 -2,-0.3 2,-0.7 -0.973 20.2-151.2-111.2 123.7 5.9 28.5 49.3 44 665 A H E -bc 15 113A 0 -30,-2.3 -28,-3.1 -2,-0.5 2,-0.6 -0.885 17.2-167.1 -95.7 117.7 7.6 31.0 51.6 45 666 A L E -bc 16 114A 0 68,-2.2 70,-1.9 -2,-0.7 2,-0.6 -0.914 12.5-153.8-116.2 112.1 7.5 34.3 49.8 46 667 A L E +bc 17 115A 0 -30,-2.6 -28,-0.9 -2,-0.6 3,-0.2 -0.757 23.5 163.8 -84.3 123.9 9.6 37.2 51.0 47 668 A L E S+ 0 0 0 68,-2.7 6,-3.8 -2,-0.6 2,-0.5 0.676 73.5 41.4-110.3 -30.1 7.8 40.5 50.0 48 669 A G E +Dc 52 116A 2 67,-1.8 69,-3.2 4,-0.3 -1,-0.3 -0.965 69.6 128.4-118.3 104.9 9.8 42.8 52.3 49 670 A N S S- 0 0 0 2,-2.5 2,-2.4 -2,-0.5 73,-0.2 -0.678 96.9 -42.3-154.3 99.6 13.4 41.9 52.3 50 671 A D S S+ 0 0 15 71,-2.7 74,-3.2 -2,-0.2 75,-0.3 -0.441 141.5 50.6 71.0 -68.3 15.6 44.9 51.6 51 672 A G S S- 0 0 2 -2,-2.4 -2,-2.5 72,-0.2 2,-0.6 -0.607 84.5-136.7 -85.3 157.7 13.2 46.0 48.9 52 673 A L B +D 48 0A 3 25,-0.3 -4,-0.3 -4,-0.2 29,-0.2 -0.972 26.6 175.4-117.9 111.4 9.4 46.1 49.6 53 674 A R + 0 0 3 -6,-3.8 40,-2.4 -2,-0.6 2,-0.3 -0.260 46.9 74.4-121.4 45.0 7.7 44.5 46.7 54 675 A F B -k 93 0B 0 38,-0.3 2,-0.5 -7,-0.1 40,-0.2 -0.873 49.8-171.2-159.3 119.1 4.0 44.4 47.6 55 676 A L - 0 0 23 38,-2.3 40,-0.5 -2,-0.3 2,-0.2 -0.961 15.5-143.1-113.8 129.5 1.4 47.1 47.6 56 677 A L - 0 0 9 -2,-0.5 3,-0.2 38,-0.1 111,-0.0 -0.487 29.9-112.0 -73.2 158.3 -2.1 46.7 49.0 57 678 A D S S+ 0 0 98 1,-0.2 2,-0.6 -2,-0.2 -1,-0.1 0.903 112.2 40.2 -58.4 -41.8 -4.9 48.5 47.2 58 679 A D + 0 0 83 1,-0.1 -1,-0.2 108,-0.1 -2,-0.1 -0.892 62.2 167.9-114.2 106.5 -5.3 50.7 50.3 59 680 A M + 0 0 0 -2,-0.6 2,-0.2 -3,-0.2 -1,-0.1 0.078 23.1 145.1-106.0 24.3 -2.0 51.8 51.9 60 681 A T - 0 0 50 13,-0.1 2,-0.4 12,-0.0 9,-0.2 -0.473 32.1-162.8 -61.1 125.8 -3.5 54.4 54.2 61 682 A I E -L 68 0C 2 7,-2.2 7,-3.0 -2,-0.2 2,-0.5 -0.962 12.1-162.3-117.7 129.1 -1.4 54.3 57.4 62 683 A T E +L 67 0C 103 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.961 35.7 123.3-110.7 124.7 -2.4 55.8 60.8 63 684 A A E > +L 66 0C 13 3,-1.5 3,-1.2 -2,-0.5 96,-0.1 -0.939 53.5 35.5-170.5 152.7 0.4 56.3 63.3 64 685 A N T 3 S- 0 0 55 -2,-0.3 3,-0.1 1,-0.3 91,-0.0 0.822 125.2 -68.3 62.4 33.9 2.0 59.1 65.4 65 686 A G T 3 S+ 0 0 92 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.618 119.6 97.0 65.7 17.0 -1.4 60.7 65.9 66 687 A K E < -L 63 0C 104 -3,-1.2 -3,-1.5 2,-0.0 2,-0.4 -0.672 69.7-124.6-131.7 172.9 -1.2 61.5 62.2 67 688 A T E -L 62 0C 92 -2,-0.2 2,-0.6 -5,-0.2 -5,-0.2 -0.990 9.4-158.0-132.7 134.3 -2.5 60.1 58.9 68 689 A Y E -L 61 0C 6 -7,-3.0 -7,-2.2 -2,-0.4 5,-0.1 -0.937 27.5-124.8-117.5 111.7 -0.5 59.1 55.8 69 690 A A > - 0 0 46 -2,-0.6 4,-2.1 -9,-0.2 3,-0.5 -0.176 14.4-123.2 -61.8 143.7 -2.5 59.0 52.6 70 691 A S H > S+ 0 0 17 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.875 110.8 51.2 -51.7 -51.3 -2.5 55.8 50.6 71 692 A D H > S+ 0 0 129 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.858 112.3 48.4 -57.3 -36.1 -1.3 57.4 47.3 72 693 A D H > S+ 0 0 97 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.869 110.6 50.4 -73.8 -35.4 1.6 59.0 49.3 73 694 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.920 111.1 48.5 -70.5 -45.2 2.5 55.7 51.0 74 695 A K H X S+ 0 0 56 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.961 112.1 49.0 -55.6 -51.8 2.6 53.9 47.7 75 696 A K H X S+ 0 0 132 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.879 113.2 47.1 -58.1 -40.0 4.7 56.6 46.1 76 697 A A H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.886 112.8 48.2 -72.0 -40.4 7.2 56.5 49.0 77 698 A I H X S+ 0 0 2 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.946 110.4 51.2 -65.5 -48.0 7.4 52.7 49.0 78 699 A I H X S+ 0 0 59 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.885 113.7 46.0 -54.3 -39.2 7.9 52.6 45.2 79 700 A E H X S+ 0 0 69 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.891 112.5 50.3 -71.5 -40.5 10.7 55.2 45.7 80 701 A G H X S+ 0 0 1 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.930 113.3 44.9 -60.4 -48.1 12.2 53.3 48.6 81 702 A T H X S+ 0 0 1 -4,-3.1 4,-2.4 1,-0.2 3,-0.4 0.926 113.1 50.1 -66.9 -44.7 12.2 50.0 46.7 82 703 A K H < S+ 0 0 91 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.2 0.851 106.6 56.3 -61.1 -34.3 13.7 51.6 43.5 83 704 A A H < S+ 0 0 73 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.811 109.6 46.2 -68.6 -27.7 16.4 53.3 45.6 84 705 A Y H < S- 0 0 52 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.913 143.0 -22.3 -77.2 -43.8 17.4 49.9 46.9 85 706 A Y < - 0 0 50 -4,-2.4 2,-2.1 -5,-0.1 -1,-0.2 -0.658 54.6-146.9-171.0 107.9 17.3 48.3 43.4 86 707 A D - 0 0 94 -4,-0.4 -4,-0.1 -2,-0.2 5,-0.1 -0.561 28.5-156.8 -81.0 79.3 15.4 49.6 40.4 87 708 A D > - 0 0 4 -2,-2.1 3,-1.0 3,-0.2 -2,-0.1 -0.388 12.2-147.6 -62.4 125.4 14.6 46.2 38.9 88 709 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.753 95.1 62.7 -67.0 -20.9 13.9 46.4 35.2 89 710 A N T 3 S- 0 0 98 1,-0.3 2,-0.3 -67,-0.1 -2,-0.1 0.656 122.1 -63.2 -77.8 -16.7 11.5 43.5 35.4 90 711 A G < - 0 0 2 -3,-1.0 -1,-0.3 1,-0.1 -3,-0.2 -0.874 34.1-121.8 153.2 177.5 9.1 45.3 37.8 91 712 A T S S- 0 0 18 1,-0.3 2,-0.3 -2,-0.3 -4,-0.1 0.781 76.3 -1.5-115.6 -57.1 8.7 46.9 41.2 92 713 A A - 0 0 19 -70,-0.1 -1,-0.3 -39,-0.0 -38,-0.3 -0.997 60.5-116.4-146.3 142.5 5.9 45.4 43.4 93 714 A L B -k 54 0B 7 -40,-2.4 -38,-2.3 -2,-0.3 2,-0.1 -0.521 37.4-126.1 -68.9 145.8 3.2 42.8 43.2 94 715 A T > - 0 0 54 -40,-0.2 4,-2.1 -2,-0.2 5,-0.2 -0.434 21.4-107.5 -88.2 166.7 -0.4 44.2 43.4 95 716 A Q H > S+ 0 0 51 -40,-0.5 4,-2.1 1,-0.2 5,-0.2 0.876 120.9 52.7 -60.8 -38.1 -3.1 43.1 45.9 96 717 A A H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.904 108.1 51.4 -66.0 -40.2 -4.9 41.3 43.0 97 718 A E H > S+ 0 0 32 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.942 112.4 43.4 -60.9 -51.3 -1.8 39.4 42.0 98 719 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.904 112.8 53.5 -62.7 -41.8 -1.0 38.0 45.5 99 720 A T H X S+ 0 0 53 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.913 112.4 45.1 -56.9 -43.2 -4.7 37.2 46.1 100 721 A E H X S+ 0 0 89 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.915 111.1 53.1 -68.3 -43.6 -4.7 35.2 42.9 101 722 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.911 110.7 47.3 -55.3 -43.3 -1.4 33.6 43.8 102 723 A I H X S+ 0 0 11 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.899 113.1 47.6 -68.2 -39.0 -2.9 32.5 47.2 103 724 A E H X S+ 0 0 116 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.753 113.0 49.7 -76.6 -23.7 -6.0 31.1 45.6 104 725 A Y H X S+ 0 0 63 -4,-2.0 4,-0.6 2,-0.2 -2,-0.2 0.913 111.2 47.6 -77.9 -46.7 -3.9 29.3 42.9 105 726 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 3,-1.1 0.897 109.8 54.4 -57.8 -42.7 -1.6 27.7 45.5 106 727 A K H ><5S+ 0 0 140 -4,-2.1 3,-2.1 1,-0.3 -1,-0.2 0.897 100.9 58.1 -60.4 -43.1 -4.7 26.6 47.6 107 728 A S H 3<5S+ 0 0 68 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.664 111.7 43.7 -61.5 -15.5 -6.2 24.8 44.6 108 729 A K T <<5S- 0 0 31 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.221 121.0-107.5-111.4 15.7 -3.0 22.8 44.5 109 730 A D T < 5S+ 0 0 93 -3,-2.1 2,-0.5 1,-0.2 -3,-0.2 0.877 76.2 136.5 60.6 40.7 -2.8 22.2 48.3 110 731 A I < - 0 0 7 -5,-2.9 -68,-0.3 -8,-0.2 -1,-0.2 -0.982 44.1-147.2-119.9 123.1 0.1 24.6 48.7 111 732 A G E -c 42 0A 28 -70,-2.9 -68,-2.8 -2,-0.5 2,-0.5 -0.540 9.8-136.5 -79.5 153.1 0.2 27.2 51.5 112 733 A L E -c 43 0A 8 62,-0.3 65,-0.4 -70,-0.2 64,-0.4 -0.956 12.5-165.1-108.0 131.7 1.7 30.6 51.1 113 734 A I E -c 44 0A 3 -70,-3.3 -68,-2.2 -2,-0.5 65,-0.1 -0.889 12.1-157.3-117.1 101.3 3.9 32.0 53.9 114 735 A P E -c 45 0A 0 0, 0.0 65,-2.5 0, 0.0 2,-0.4 -0.435 4.2-161.2 -75.1 148.2 4.5 35.7 53.5 115 736 A A E -ce 46 179A 2 -70,-1.9 -68,-2.7 63,-0.2 -67,-1.8 -0.997 11.4-178.1-129.9 126.4 7.6 37.4 55.1 116 737 A I E -c 48 0A 0 63,-2.1 -67,-0.2 -2,-0.4 2,-0.1 -0.913 27.2-138.7-122.7 107.1 7.9 41.1 55.7 117 738 A N - 0 0 2 -69,-3.2 64,-0.2 -2,-0.5 -67,-0.1 -0.377 25.7-175.8 -75.9 136.6 11.3 41.9 57.2 118 739 A S + 0 0 0 62,-1.2 64,-0.5 -2,-0.1 65,-0.1 -0.867 53.0 13.6-166.8 162.9 12.1 44.3 60.0 119 740 A P S S+ 0 0 0 0, 0.0 30,-2.3 0, 0.0 3,-0.2 -0.987 127.2 33.6 -87.2 4.6 13.8 45.8 61.8 120 741 A G S S+ 0 0 0 28,-0.2 -70,-0.2 1,-0.2 62,-0.2 -0.446 109.6 37.2 -98.3-177.0 16.6 44.7 59.6 121 742 A H S S+ 0 0 4 63,-0.4 -71,-2.7 -2,-0.2 -1,-0.2 0.880 80.9 121.5 40.5 51.1 16.6 44.2 55.8 122 743 A M > + 0 0 3 25,-2.8 4,-2.3 -3,-0.2 3,-0.3 -0.033 14.0 137.4-135.5 32.8 14.2 47.2 55.4 123 744 A D H > S+ 0 0 23 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.866 76.2 51.2 -36.4 -52.4 16.2 49.5 53.1 124 745 A A H > S+ 0 0 1 -74,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.883 110.1 47.0 -65.2 -41.2 13.0 50.3 51.2 125 746 A M H > S+ 0 0 3 -3,-0.3 4,-2.3 -75,-0.3 -1,-0.2 0.854 107.8 58.3 -68.3 -33.4 10.9 51.1 54.2 126 747 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.953 112.7 37.4 -61.1 -50.3 13.6 53.4 55.6 127 748 A V H X S+ 0 0 35 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.870 111.9 58.6 -72.0 -39.0 13.7 55.7 52.6 128 749 A A H X S+ 0 0 1 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.910 107.0 50.5 -55.0 -42.9 9.9 55.5 52.1 129 750 A M H ><>S+ 0 0 0 -4,-2.3 5,-2.7 2,-0.2 3,-0.7 0.907 106.6 52.1 -62.2 -45.9 9.8 56.9 55.7 130 751 A E H ><5S+ 0 0 88 -4,-1.9 3,-1.4 1,-0.2 -1,-0.2 0.907 109.2 51.9 -53.8 -43.3 12.2 59.7 54.9 131 752 A K H 3<5S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.700 106.0 54.1 -65.2 -25.4 9.9 60.5 51.9 132 753 A L T <<5S- 0 0 24 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.309 128.8 -95.7 -93.8 7.7 6.8 60.6 54.2 133 754 A G T < 5S+ 0 0 49 -3,-1.4 2,-0.9 1,-0.2 -3,-0.2 0.494 82.2 135.3 94.3 7.2 8.5 63.2 56.5 134 755 A I < - 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0 0 164 1,-0.0 3,-0.4 0, 0.0 4,-0.3 -0.963 360.0 -33.7 165.5-136.1 -26.0 3.6 33.1 376 1003 A E S > S+ 0 0 82 -2,-0.3 4,-0.8 1,-0.2 -1,-0.0 0.274 128.9 74.4 -87.0 4.3 -23.7 1.0 34.8 377 1004 A S H > S+ 0 0 43 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.466 87.8 56.3 -91.9 -9.2 -21.0 3.3 33.5 378 1005 A L H > S+ 0 0 54 -3,-0.4 4,-1.0 2,-0.2 -2,-0.2 0.681 103.7 56.2 -83.5 -25.9 -21.9 5.8 36.3 379 1006 A E H > S+ 0 0 65 -4,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.886 107.3 48.3 -66.4 -41.5 -21.2 2.8 38.6 380 1007 A A H X S+ 0 0 46 -4,-0.8 4,-1.7 2,-0.2 5,-0.2 0.939 105.7 55.0 -65.2 -50.6 -17.7 2.4 37.1 381 1008 A L H X S+ 0 0 33 -4,-1.1 4,-1.5 29,-0.3 -1,-0.2 0.798 109.8 51.1 -54.8 -31.0 -16.8 6.2 37.4 382 1009 A D H X S+ 0 0 102 -4,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.938 105.4 51.6 -72.1 -47.1 -17.6 5.8 41.1 383 1010 A A H X S+ 0 0 65 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.745 113.5 46.6 -63.1 -25.5 -15.5 2.7 41.8 384 1011 A A H < S+ 0 0 11 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.869 111.2 50.8 -80.4 -41.0 -12.5 4.5 40.3 385 1012 A K H >< S+ 0 0 102 -4,-1.5 3,-0.8 -5,-0.2 -2,-0.2 0.876 111.1 51.1 -58.9 -39.5 -13.3 7.7 42.3 386 1013 A T H 3< S+ 0 0 121 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.782 102.8 58.0 -70.6 -31.0 -13.4 5.5 45.4 387 1014 A A T 3< S+ 0 0 50 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.514 77.9 121.7 -84.1 -4.4 -10.1 3.9 44.8 388 1015 A L < - 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