==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAR-04 1SSM . COMPND 2 MOLECULE: SERINE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR L.R.OLSEN,B.HUANG,M.W.VETTING,S.L.RODERICK . 1440 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1148 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 226 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 6 0.4 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 . 1 0.1 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 . 125 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 541 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.1 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 1 5 6 0 0 0 0 0 7 5 6 7 6 5 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 50 16 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 . 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 12 6 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 1 A X > 0 0 100 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 150.4 15.8 51.0 60.2 2 2 A T H > + 0 0 28 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.903 360.0 58.7 -72.7 -41.0 16.9 48.5 62.7 3 3 A L H > S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.749 104.9 49.0 -59.0 -32.9 14.1 49.3 65.1 4 4 A D H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.831 108.5 52.8 -77.2 -35.3 11.4 48.5 62.5 5 5 A V H X S+ 0 0 13 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.933 112.8 47.4 -63.9 -41.2 13.1 45.2 61.7 6 6 A W H X S+ 0 0 8 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.950 109.8 49.8 -63.4 -54.0 12.9 44.5 65.4 7 7 A Q H X S+ 0 0 114 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.889 112.6 48.9 -52.6 -42.8 9.3 45.6 65.9 8 8 A H H X S+ 0 0 77 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.895 110.1 51.6 -63.7 -41.2 8.4 43.3 62.9 9 9 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.956 111.5 46.6 -62.8 -44.9 10.4 40.4 64.5 10 10 A R H X S+ 0 0 59 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.938 111.2 53.4 -59.3 -48.2 8.6 40.8 67.8 11 11 A Q H X S+ 0 0 125 -4,-2.3 4,-1.3 -5,-0.3 3,-0.3 0.942 112.4 41.7 -55.1 -52.8 5.2 41.0 66.0 12 12 A E H >X S+ 0 0 22 -4,-2.6 4,-3.6 1,-0.2 3,-0.6 0.940 111.3 57.8 -61.8 -43.5 5.7 37.7 64.1 13 13 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.3 -1,-0.2 0.855 102.7 53.7 -56.5 -34.8 7.2 36.1 67.2 14 14 A K H 3X S+ 0 0 110 -4,-2.2 4,-1.2 -3,-0.3 -1,-0.3 0.862 115.3 39.6 -67.9 -35.3 4.0 36.8 69.2 15 15 A E H X - 0 0 9 -4,-1.5 3,-1.4 -3,-0.3 4,-0.5 -0.774 56.5-180.0-132.3 88.6 2.9 26.6 68.0 21 21 A P G >4 S+ 0 0 64 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.803 82.5 60.7 -56.7 -29.1 2.7 25.7 71.6 22 22 A X G 34 S+ 0 0 25 1,-0.2 4,-0.2 2,-0.1 3,-0.1 0.773 113.6 36.6 -72.8 -20.0 5.7 23.4 71.5 23 23 A L G <> S+ 0 0 0 -3,-1.4 4,-2.3 -7,-0.2 -1,-0.2 0.361 85.1 99.8-112.5 8.1 7.9 26.3 70.4 24 24 A A H S+ 0 0 7 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.912 109.9 50.2 -59.9 -43.1 9.2 28.8 75.1 26 26 A F H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.897 109.2 48.3 -59.9 -52.7 11.7 29.2 72.3 27 27 A F H X>S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-1.6 0.888 114.5 49.2 -58.1 -39.0 10.1 32.3 70.7 28 28 A H H <>S+ 0 0 31 -4,-2.2 5,-1.9 -5,-0.2 -2,-0.2 0.913 114.0 41.7 -67.1 -46.7 10.0 33.8 74.2 29 29 A S H <5S+ 0 0 9 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.876 123.2 39.5 -69.5 -39.9 13.6 33.1 75.2 30 30 A T H <5S- 0 0 0 -4,-2.5 14,-0.2 -5,-0.2 -2,-0.2 0.829 137.1 -2.7 -81.8 -33.3 15.0 34.1 71.8 31 31 A I T ><5S+ 0 0 0 -4,-2.3 3,-2.2 -5,-0.3 -3,-0.2 0.726 118.0 54.2-122.9 -64.3 12.8 37.1 70.9 32 32 A L T 3 S- 0 0 83 -5,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.969 82.2 -94.9-164.0 167.6 16.2 45.1 71.0 37 37 A L H > S+ 0 0 3 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.854 118.7 61.6 -59.5 -36.7 17.9 43.0 68.3 38 38 A G H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 103.5 48.2 -56.8 -47.3 21.2 43.2 70.1 39 39 A G H > S+ 0 0 11 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.942 115.6 44.0 -60.8 -48.9 19.8 41.4 73.1 40 40 A A H X S+ 0 0 0 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.949 115.3 47.1 -61.6 -50.5 18.2 38.6 71.0 41 41 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.926 112.1 48.6 -60.5 -47.5 21.1 38.1 68.7 42 42 A S H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.950 113.2 49.0 -59.9 -44.1 23.7 38.0 71.5 43 43 A Y H X S+ 0 0 4 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.950 114.2 46.2 -58.5 -48.4 21.5 35.5 73.4 44 44 A L H X S+ 0 0 0 -4,-3.2 4,-2.1 -14,-0.2 -2,-0.2 0.929 116.2 42.6 -60.0 -51.8 21.1 33.3 70.2 45 45 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.862 110.3 56.1 -67.3 -36.6 24.7 33.4 69.2 46 46 A A H X S+ 0 0 0 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.921 112.4 43.3 -62.8 -40.0 26.0 32.8 72.8 47 47 A N H < S+ 0 0 7 -4,-2.0 3,-0.2 -5,-0.2 -2,-0.2 0.885 113.9 49.4 -71.3 -39.7 23.9 29.7 73.1 48 48 A K H < S+ 0 0 40 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 116.6 42.8 -68.7 -32.7 24.8 28.4 69.6 49 49 A L H < S+ 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.579 90.3 113.2 -91.6 -11.5 28.4 28.9 70.2 50 50 A A < + 0 0 26 -4,-0.9 -3,-0.1 -3,-0.2 -4,-0.0 -0.155 35.0 165.5 -60.5 153.1 28.5 27.5 73.8 51 51 A N - 0 0 34 3,-1.0 479,-0.1 1,-0.0 -2,-0.0 -0.918 53.5 -81.4-154.6 175.8 30.4 24.3 74.7 52 52 A P S S+ 0 0 65 0, 0.0 478,-0.1 0, 0.0 -2,-0.0 0.790 126.1 41.1 -59.8 -31.4 31.5 22.8 77.9 53 53 A I S S+ 0 0 17 1,-0.3 458,-0.1 473,-0.1 -3,-0.1 0.917 125.4 32.8 -85.2 -37.6 34.7 24.8 78.3 54 54 A X S S- 0 0 3 -5,-0.1 -3,-1.0 454,-0.0 -1,-0.3 -0.768 86.9-159.4-121.5 84.9 33.2 28.2 77.2 55 55 A P >> - 0 0 29 0, 0.0 4,-2.5 0, 0.0 3,-1.2 -0.123 31.3-102.9 -62.9 156.6 29.5 28.4 78.2 56 56 A A H 3> S+ 0 0 12 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.854 121.4 55.4 -45.8 -45.2 26.7 30.6 76.9 57 57 A I H 3> S+ 0 0 7 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.880 109.3 46.9 -63.9 -33.8 27.0 32.9 79.9 58 58 A S H <> S+ 0 0 1 -3,-1.2 4,-0.8 1,-0.2 -2,-0.2 0.928 113.3 47.6 -75.8 -37.9 30.6 33.4 79.3 59 59 A L H >X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.8 0.911 103.2 60.4 -69.7 -37.7 30.3 34.1 75.5 60 60 A R H 3X S+ 0 0 11 -4,-2.6 4,-3.2 1,-0.3 5,-0.3 0.854 100.2 55.1 -56.7 -40.6 27.3 36.6 75.8 61 61 A E H 3X S+ 0 0 45 -4,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.833 107.4 52.3 -60.7 -32.8 29.3 39.0 77.9 62 62 A I H < + 0 0 53 -4,-1.3 3,-1.7 -5,-0.2 4,-0.3 -0.586 65.7 173.7-143.9 78.0 30.4 49.1 67.9 71 71 A P T >> S+ 0 0 78 0, 0.0 3,-1.4 0, 0.0 4,-0.9 0.746 70.6 78.8 -58.7 -24.3 26.6 49.4 67.8 72 72 A S H 3> S+ 0 0 57 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.734 77.9 73.2 -55.5 -28.0 26.8 49.5 64.0 73 73 A I H <> S+ 0 0 7 -3,-1.7 4,-1.3 1,-0.2 -1,-0.3 0.844 94.4 50.1 -54.3 -41.7 27.2 45.7 64.0 74 74 A I H <> S+ 0 0 27 -3,-1.4 4,-2.2 -4,-0.3 -1,-0.2 0.848 106.7 56.0 -68.8 -34.9 23.6 45.2 64.9 75 75 A D H X S+ 0 0 78 -4,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.896 104.1 53.2 -63.0 -37.7 22.6 47.5 62.1 76 76 A C H X S+ 0 0 27 -4,-1.7 4,-1.8 1,-0.2 73,-0.5 0.853 106.1 54.9 -66.2 -31.7 24.5 45.2 59.7 77 77 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.949 105.3 50.0 -66.8 -46.3 22.5 42.3 61.1 78 78 A A H X S+ 0 0 4 -4,-2.2 4,-2.0 1,-0.3 3,-0.3 0.953 110.7 51.9 -57.4 -46.1 19.1 43.9 60.3 79 79 A C H X S+ 0 0 56 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.844 107.1 51.8 -58.1 -35.3 20.4 44.6 56.8 80 80 A D H X S+ 0 0 0 -4,-1.8 4,-2.0 -3,-0.2 -1,-0.2 0.858 107.3 55.3 -70.9 -30.8 21.4 41.0 56.4 81 81 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 -3,-0.3 -2,-0.2 0.959 108.2 44.5 -64.6 -51.1 18.0 40.0 57.4 82 82 A Q H X S+ 0 0 30 -4,-2.0 4,-2.4 1,-0.3 5,-0.3 0.915 109.9 58.8 -59.3 -44.2 16.1 42.1 54.8 83 83 A A H X S+ 0 0 4 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.3 0.926 108.6 42.4 -52.9 -46.7 18.6 40.8 52.3 84 84 A V H X S+ 0 0 9 -4,-2.0 4,-1.3 66,-0.2 7,-0.3 0.903 108.3 64.7 -71.2 -31.8 17.6 37.2 53.0 85 85 A R H < S+ 0 0 75 -4,-2.7 6,-0.3 1,-0.2 -2,-0.2 0.919 117.0 20.4 -54.9 -52.1 14.0 38.2 53.0 86 86 A H H < S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.643 117.9 59.9-100.8 -6.1 13.7 39.3 49.5 87 87 A R H < S+ 0 0 66 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.608 112.3 46.7 -87.5 -11.8 16.6 37.5 47.8 88 88 A D >< - 0 0 29 -4,-1.3 3,-5.5 -5,-0.2 -1,-0.3 -0.571 66.7-173.2-126.4 75.0 15.0 34.3 49.0 89 89 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 337,-0.1 0.678 85.3 71.7 -39.5 -21.0 11.2 34.4 48.2 90 90 A A T 3 S+ 0 0 52 335,-0.1 2,-0.6 1,-0.1 -5,-0.1 0.752 92.7 67.6 -67.8 -21.8 11.1 31.1 50.2 91 91 A V < + 0 0 12 -3,-5.5 -3,-0.2 -7,-0.3 -1,-0.1 -0.893 50.0 148.6-105.1 116.2 11.6 33.4 53.2 92 92 A E + 0 0 135 -2,-0.6 2,-0.5 -6,-0.0 -1,-0.1 0.520 51.3 83.8-117.7 -16.4 8.8 35.8 54.0 93 93 A L > - 0 0 66 1,-0.1 3,-1.1 -8,-0.0 -84,-0.1 -0.795 65.5-148.7 -95.0 132.6 9.1 36.1 57.8 94 94 A W T 3> S+ 0 0 41 -2,-0.5 4,-0.7 1,-0.3 -85,-0.1 0.739 97.9 59.7 -66.8 -25.5 11.6 38.6 59.2 95 95 A S H 3> S+ 0 0 2 -87,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.692 87.7 77.0 -78.0 -17.0 12.2 36.4 62.2 96 96 A T H <>>S+ 0 0 13 -3,-1.1 4,-2.9 2,-0.2 5,-0.9 0.912 93.1 44.5 -61.5 -52.4 13.4 33.4 60.1 97 97 A P H >5S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 8,-0.2 0.964 117.4 50.3 -56.6 -47.2 17.0 34.4 59.2 98 98 A L H <5S+ 0 0 0 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.860 120.0 31.3 -55.0 -47.8 17.4 35.5 62.8 99 99 A L H <5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.1 -3,-0.2 0.848 132.6 14.7 -85.9 -36.8 16.1 32.4 64.4 100 100 A Y H <5S+ 0 0 7 -4,-2.9 2,-0.9 -5,-0.2 -2,-0.1 0.685 87.3 97.0-120.2 -18.7 17.1 29.5 62.0 101 101 A L >X< - 0 0 35 -4,-1.1 4,-2.6 -5,-0.9 3,-0.8 -0.658 45.1-165.3 -87.1 110.3 19.6 30.3 59.3 102 102 A K H 3> S+ 0 0 7 -2,-0.9 4,-2.8 1,-0.3 5,-0.2 0.753 88.8 60.0 -62.4 -24.3 23.1 29.2 60.3 103 103 A G H 3> S+ 0 0 2 2,-0.2 4,-2.4 49,-0.2 -1,-0.3 0.893 108.6 44.7 -68.9 -38.3 24.7 31.2 57.5 104 104 A F H <> S+ 0 0 7 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.963 112.8 52.5 -64.5 -49.7 23.2 34.3 59.0 105 105 A H H X S+ 0 0 1 -4,-2.6 4,-2.0 -8,-0.2 -2,-0.2 0.875 110.7 47.2 -55.4 -40.4 24.3 33.1 62.3 106 106 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.907 110.5 51.3 -70.6 -40.3 27.8 32.6 61.0 107 107 A I H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.969 112.8 44.7 -61.7 -50.1 27.9 36.0 59.3 108 108 A Q H X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.880 113.4 51.1 -60.7 -38.0 26.8 37.8 62.5 109 109 A S H X S+ 0 0 2 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.869 107.3 54.9 -65.8 -39.3 29.3 35.8 64.6 110 110 A Y H >X S+ 0 0 2 -4,-2.7 4,-2.1 1,-0.2 3,-0.9 0.964 100.5 59.1 -58.4 -50.4 32.0 36.7 62.1 111 111 A R H 3X S+ 0 0 17 -4,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.868 103.5 52.4 -47.8 -41.4 31.3 40.4 62.6 112 112 A I H 3X S+ 0 0 2 -4,-1.3 4,-1.8 1,-0.2 -1,-0.3 0.911 109.9 48.0 -62.4 -38.6 32.0 40.0 66.3 113 113 A T H <>S+ 0 0 0 -4,-1.8 5,-2.5 -5,-0.2 3,-1.2 0.899 110.7 51.1 -65.9 -44.1 37.8 41.8 68.0 117 117 A W H ><5S+ 0 0 42 -4,-2.4 3,-2.3 1,-0.3 -2,-0.2 0.946 108.0 51.7 -58.7 -48.9 40.6 41.4 65.3 118 118 A N T 3<5S+ 0 0 103 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.481 108.6 53.4 -67.7 -2.5 40.7 45.2 64.6 119 119 A Q T < 5S- 0 0 113 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.248 117.5-115.1-113.3 8.0 41.1 45.7 68.3 120 120 A N T < 5S+ 0 0 124 -3,-2.3 2,-1.4 1,-0.2 3,-0.3 0.641 78.0 131.0 63.3 20.7 44.1 43.3 68.4 121 121 A R >< + 0 0 61 -5,-2.5 4,-1.5 1,-0.2 -1,-0.2 -0.572 25.9 152.1 -97.0 69.3 42.2 40.8 70.6 122 122 A K H > + 0 0 82 -2,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.791 58.7 58.3 -75.7 -31.0 43.2 38.1 68.2 123 123 A S H > S+ 0 0 21 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.919 112.1 44.5 -66.4 -33.7 43.2 35.1 70.5 124 124 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.879 112.3 52.0 -74.0 -36.3 39.6 35.8 71.2 125 125 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.897 111.7 47.6 -65.3 -38.6 39.0 36.4 67.6 126 126 A L H X S+ 0 0 35 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.887 107.5 53.9 -71.8 -38.5 40.6 33.0 66.8 127 127 A Y H X S+ 0 0 3 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.944 114.6 42.2 -60.2 -44.3 38.6 31.1 69.4 128 128 A L H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 3,-0.3 0.960 107.5 58.8 -68.1 -48.9 35.4 32.4 68.0 129 129 A Q H X S+ 0 0 14 -4,-2.6 4,-1.6 1,-0.3 11,-0.3 0.900 114.1 39.3 -41.5 -53.6 36.3 31.9 64.3 130 130 A N H X S+ 0 0 13 -4,-1.9 4,-2.0 2,-0.2 -1,-0.3 0.784 111.7 54.0 -74.9 -26.3 36.8 28.3 65.0 131 131 A Q H X S+ 0 0 13 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.776 109.3 53.3 -76.9 -23.7 33.9 27.8 67.3 132 132 A I H X>S+ 0 0 3 -4,-2.8 4,-2.8 2,-0.2 6,-0.7 0.903 106.6 50.9 -74.9 -38.8 31.9 29.4 64.4 133 133 A S H X5S+ 0 0 1 -4,-1.6 4,-1.2 -5,-0.3 -2,-0.2 0.907 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