==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-MAR-04 1SSQ . COMPND 2 MOLECULE: SERINE ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR L.R.OLSEN,B.HUANG,M.W.VETTING,S.L.RODERICK . 500 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 77.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 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 . 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 . 38 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 1 0 2 1 0 0 1 0 0 2 2 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 19 3 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 . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 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 M 0 0 95 0, 0.0 81,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -49.1 -0.7 24.0 59.0 2 2 A N > + 0 0 75 76,-0.0 4,-1.7 80,-0.0 5,-0.2 0.302 360.0 40.8-151.7 -57.5 -2.1 25.2 62.3 3 3 A L H > S+ 0 0 125 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.837 117.2 53.6 -73.4 -28.6 -0.5 23.2 65.2 4 4 A D H > S+ 0 0 98 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 104.3 55.3 -69.1 -42.6 2.8 23.4 63.3 5 5 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.941 109.9 44.0 -55.8 -55.1 2.5 27.2 63.1 6 6 A W H X S+ 0 0 13 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.793 115.2 49.2 -64.3 -29.6 2.1 27.7 66.9 7 7 A Q H X S+ 0 0 98 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.766 107.9 53.6 -81.7 -24.7 4.8 25.3 67.7 8 8 A H H X S+ 0 0 84 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.916 114.3 42.3 -70.2 -39.5 7.2 26.9 65.3 9 9 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.885 113.2 53.6 -72.0 -37.4 6.5 30.2 67.0 10 10 A R H X S+ 0 0 47 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.928 111.0 44.9 -64.8 -44.1 6.7 28.6 70.5 11 11 A Q H X S+ 0 0 135 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.887 113.9 50.7 -67.0 -36.6 10.1 27.1 69.7 12 12 A E H X S+ 0 0 25 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.914 102.8 58.4 -65.3 -45.1 11.4 30.3 68.3 13 13 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.873 101.7 56.3 -53.7 -40.9 10.3 32.5 71.2 14 14 A K H X S+ 0 0 103 -4,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.951 110.9 42.7 -60.3 -47.6 12.4 30.5 73.6 15 15 A E H X S+ 0 0 98 -4,-1.2 4,-1.9 1,-0.2 3,-0.3 0.912 114.2 49.9 -63.3 -46.5 15.6 31.1 71.5 16 16 A L H X S+ 0 0 50 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.851 105.6 58.0 -66.8 -28.0 14.8 34.8 70.9 17 17 A A H < S+ 0 0 12 -4,-2.5 -1,-0.2 -5,-0.2 7,-0.2 0.878 108.4 47.3 -65.6 -33.7 14.2 35.3 74.7 18 18 A E H < S+ 0 0 144 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.873 113.7 46.3 -72.2 -38.0 17.7 34.0 75.3 19 19 A N H < S+ 0 0 122 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.702 121.5 34.9 -79.6 -23.0 19.3 36.2 72.6 20 20 A E >X + 0 0 85 -4,-1.8 3,-2.4 -5,-0.2 4,-0.6 -0.651 60.6 178.3-137.3 84.9 17.5 39.4 73.7 21 21 A P H >> S+ 0 0 97 0, 0.0 3,-1.2 0, 0.0 4,-0.6 0.807 79.0 68.4 -52.7 -34.1 16.9 39.7 77.4 22 22 A M H 34 S+ 0 0 164 1,-0.3 4,-0.1 2,-0.1 -5,-0.1 0.695 111.0 33.1 -59.4 -22.0 15.3 43.1 77.0 23 23 A L H <> S+ 0 0 67 -3,-2.4 4,-2.8 -7,-0.2 5,-0.3 0.340 88.5 104.0-114.2 3.5 12.4 41.4 75.3 24 24 A A H S+ 0 0 59 -3,-0.3 4,-2.0 2,-0.2 5,-0.5 0.940 109.8 47.0 -66.1 -45.3 7.7 40.3 76.1 27 27 A F H X>S+ 0 0 6 -4,-2.8 5,-2.0 1,-0.2 4,-1.8 0.898 115.1 47.1 -63.7 -37.5 8.2 36.9 74.5 28 28 A H H <>S+ 0 0 96 -4,-2.3 5,-2.5 -5,-0.3 6,-0.2 0.919 114.5 44.5 -68.7 -45.4 7.1 35.1 77.6 29 29 A S H <5S+ 0 0 21 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.773 123.7 34.0 -68.1 -32.0 4.0 37.2 78.2 30 30 A T H <5S+ 0 0 1 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.896 138.1 2.7 -90.9 -52.5 2.8 37.2 74.6 31 31 A I T ><5S+ 0 0 0 -4,-1.8 3,-1.7 -5,-0.5 -3,-0.2 0.933 121.0 50.3-102.2 -65.7 3.9 33.8 73.4 32 32 A L T 3 S- 0 0 86 1,-0.1 4,-1.2 -5,-0.1 3,-0.3 -0.891 83.1 -93.4-146.8 176.7 -2.5 28.5 71.9 37 37 A L H > S+ 0 0 10 -2,-0.3 4,-3.0 1,-0.2 3,-0.3 0.886 118.5 59.3 -58.8 -44.9 -2.4 31.1 69.2 38 38 A G H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.4 0.872 102.4 54.5 -52.1 -41.0 -5.6 32.8 70.4 39 39 A G H > S+ 0 0 12 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.911 114.5 39.5 -60.6 -42.5 -3.9 33.5 73.8 40 40 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 -3,-0.3 -2,-0.2 0.923 118.3 47.7 -71.0 -46.6 -1.0 35.2 72.1 41 41 A L H X S+ 0 0 0 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.901 111.0 48.3 -63.5 -46.9 -3.1 37.0 69.5 42 42 A S H X S+ 0 0 1 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.918 114.2 49.5 -63.2 -39.8 -5.9 38.4 71.8 43 43 A Y H X S+ 0 0 11 -4,-1.2 4,-2.0 -5,-0.4 -2,-0.2 0.974 114.6 42.4 -62.1 -55.5 -3.1 39.6 74.2 44 44 A L H X S+ 0 0 4 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.903 116.2 48.0 -59.5 -44.0 -1.2 41.4 71.4 45 45 A L H X S+ 0 0 0 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.891 109.4 52.8 -66.0 -38.4 -4.2 42.9 69.7 46 46 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 -5,-0.3 -1,-0.2 0.906 111.9 46.3 -61.9 -45.7 -5.7 44.2 72.9 47 47 A N H < S+ 0 0 69 -4,-2.0 3,-0.4 -5,-0.2 -1,-0.2 0.866 112.1 49.4 -65.4 -41.5 -2.5 46.0 73.7 48 48 A K H < S+ 0 0 84 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.822 118.6 38.3 -72.0 -28.9 -2.0 47.5 70.3 49 49 A L H < S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.431 88.2 130.0 -99.6 0.8 -5.6 48.8 70.1 50 50 A A < + 0 0 39 -4,-0.7 -3,-0.1 -3,-0.4 3,-0.0 -0.117 22.5 160.1 -55.2 156.2 -5.8 49.9 73.7 51 51 A N B > -A 54 0A 55 3,-0.9 3,-1.1 1,-0.0 -2,-0.0 -0.895 54.3-104.4-169.9 146.7 -7.1 53.4 74.6 52 52 A P T 3 S+ 0 0 120 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.819 121.2 61.5 -52.9 -28.8 -8.5 54.7 77.9 53 53 A I T 3 S+ 0 0 119 1,-0.3 -3,-0.1 -3,-0.0 0, 0.0 0.896 128.3 9.6 -62.9 -39.5 -11.9 54.6 76.3 54 54 A M B < S-A 51 0A 35 -3,-1.1 -3,-0.9 -5,-0.1 -1,-0.3 -0.779 90.8-153.2-141.8 89.4 -11.5 50.9 75.8 55 55 A P >> - 0 0 41 0, 0.0 4,-2.9 0, 0.0 3,-0.7 -0.211 27.6-108.4 -64.8 157.1 -8.5 49.5 77.7 56 56 A A H 3> S+ 0 0 13 1,-0.3 4,-3.2 2,-0.2 5,-0.2 0.917 120.1 55.8 -50.1 -50.5 -6.5 46.5 76.8 57 57 A I H 3> S+ 0 0 5 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.858 113.5 40.6 -53.3 -38.8 -7.9 44.6 79.7 58 58 A S H <> S+ 0 0 5 -3,-0.7 4,-1.2 2,-0.2 3,-0.3 0.867 115.2 51.5 -74.7 -40.0 -11.5 45.3 78.5 59 59 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 3,-0.3 0.913 101.5 61.2 -65.0 -40.8 -10.7 44.7 74.9 60 60 A R H X S+ 0 0 15 -4,-3.2 4,-3.1 1,-0.2 -1,-0.2 0.859 101.2 51.8 -59.0 -34.8 -9.1 41.4 75.5 61 61 A E H X S+ 0 0 45 -4,-0.7 4,-2.1 -3,-0.3 -1,-0.2 0.912 110.6 49.3 -68.0 -39.3 -12.3 39.9 77.0 62 62 A I H X S+ 0 0 24 -4,-1.2 4,-1.8 -3,-0.3 -2,-0.2 0.914 112.8 47.2 -64.5 -42.8 -14.2 41.0 73.9 63 63 A I H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.951 111.5 50.1 -64.4 -45.9 -11.5 39.5 71.7 64 64 A E H X S+ 0 0 71 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.861 108.0 53.1 -58.7 -38.9 -11.4 36.2 73.7 65 65 A E H X S+ 0 0 84 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.935 108.0 51.7 -62.5 -46.4 -15.2 35.8 73.5 66 66 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.881 112.6 45.3 -54.8 -45.2 -15.0 36.2 69.8 67 67 A Y H < S+ 0 0 11 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.888 111.8 51.0 -67.6 -42.8 -12.3 33.5 69.6 68 68 A Q H < S+ 0 0 160 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.928 116.1 42.8 -60.6 -46.9 -14.2 31.2 71.9 69 69 A S H < S+ 0 0 69 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.954 129.7 21.8 -67.5 -57.5 -17.3 31.6 69.8 70 70 A N >< + 0 0 80 -4,-2.7 3,-1.7 -5,-0.2 -1,-0.3 -0.807 66.7 178.6-117.9 91.0 -15.9 31.4 66.3 71 71 A P T >> S+ 0 0 69 0, 0.0 3,-1.4 0, 0.0 4,-1.3 0.631 72.6 78.1 -60.2 -25.5 -12.5 29.6 66.6 72 72 A S H 3> S+ 0 0 44 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.705 78.7 72.8 -59.8 -24.5 -12.0 29.8 62.8 73 73 A I H <> S+ 0 0 10 -3,-1.7 4,-1.4 1,-0.2 -1,-0.3 0.901 101.2 42.9 -57.2 -39.6 -10.9 33.4 63.5 74 74 A I H <> S+ 0 0 30 -3,-1.4 4,-2.2 -4,-0.2 -2,-0.2 0.877 109.5 55.8 -75.3 -39.1 -7.7 32.0 65.0 75 75 A D H X S+ 0 0 72 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.927 106.0 52.2 -56.2 -43.1 -7.2 29.4 62.2 76 76 A C H X S+ 0 0 23 -4,-2.5 4,-3.2 1,-0.2 73,-0.6 0.931 107.4 52.9 -60.4 -42.3 -7.3 32.2 59.6 77 77 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 -5,-0.2 -1,-0.2 0.903 107.7 51.4 -58.8 -39.6 -4.7 34.0 61.7 78 78 A A H X S+ 0 0 1 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.946 111.4 46.7 -63.5 -45.6 -2.5 30.9 61.5 79 79 A C H X S+ 0 0 44 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.918 109.3 54.3 -62.7 -46.7 -2.9 30.7 57.7 80 80 A D H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.888 107.0 52.5 -54.6 -36.0 -2.1 34.4 57.4 81 81 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 -1,-0.2 0.967 109.2 48.0 -65.0 -45.9 1.1 33.8 59.3 82 82 A Q H X S+ 0 0 19 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.894 107.5 57.5 -63.0 -36.1 2.0 31.0 56.9 83 83 A A H X S+ 0 0 6 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.946 109.0 43.8 -59.6 -47.1 1.2 33.2 53.9 84 84 A V H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 7,-0.3 0.939 112.7 51.9 -65.5 -42.7 3.6 35.9 55.0 85 85 A R H < S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 118.0 40.6 -57.4 -42.9 6.3 33.3 55.8 86 86 A H H < S+ 0 0 146 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.708 124.8 31.2 -82.8 -22.7 5.7 31.9 52.4 87 87 A R H < S+ 0 0 77 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.600 102.7 77.2-108.6 -18.1 5.4 35.0 50.2 88 88 A D >< - 0 0 11 -4,-2.8 3,-1.8 -5,-0.3 -1,-0.1 -0.801 56.1-166.5-101.2 104.3 7.6 37.5 51.9 89 89 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.760 87.9 61.1 -56.8 -22.3 11.3 37.0 51.3 90 90 A A T 3 S+ 0 0 66 411,-0.2 2,-0.5 2,-0.0 -5,-0.1 0.726 86.6 86.6 -79.2 -21.2 12.2 39.4 54.1 91 91 A V < + 0 0 8 -3,-1.8 3,-0.1 -7,-0.3 -3,-0.0 -0.703 41.5 160.1 -84.2 123.0 10.5 37.2 56.7 92 92 A E + 0 0 152 -2,-0.5 2,-0.4 1,-0.1 -1,-0.1 0.507 58.5 59.3-116.4 -7.7 12.7 34.5 58.1 93 93 A L > - 0 0 64 1,-0.1 3,-0.6 -81,-0.0 -1,-0.1 -0.954 68.7-138.7-128.1 142.4 10.8 33.7 61.4 94 94 A W T 3> S+ 0 0 30 -2,-0.4 4,-0.6 1,-0.2 -85,-0.2 0.739 104.1 54.8 -69.2 -21.3 7.3 32.5 62.1 95 95 A S H 3> S+ 0 0 3 -87,-0.2 4,-2.8 1,-0.2 5,-0.3 0.705 87.4 80.5 -85.4 -20.5 6.9 34.8 65.0 96 96 A T H <>>S+ 0 0 30 -3,-0.6 4,-3.0 2,-0.2 5,-0.8 0.890 93.4 45.9 -54.4 -48.6 7.7 37.9 63.1 97 97 A P H >5S+ 0 0 0 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.958 115.2 48.6 -60.8 -47.2 4.3 38.4 61.5 98 98 A L H <5S+ 0 0 0 -4,-0.6 -2,-0.2 1,-0.2 -3,-0.1 0.883 122.4 31.2 -59.5 -45.5 2.6 37.7 64.8 99 99 A L H <5S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.1 -3,-0.2 0.851 133.4 12.2 -84.0 -37.7 4.7 40.1 66.8 100 100 A Y H <5S+ 0 0 112 -4,-3.0 2,-1.0 -5,-0.3 -2,-0.1 0.530 87.3 102.1-125.5 -7.2 5.7 43.0 64.5 101 101 A L X< - 0 0 49 -4,-1.2 4,-2.2 -5,-0.8 3,-0.4 -0.687 44.4-166.5 -92.7 108.1 3.9 43.2 61.2 102 102 A K H > S+ 0 0 60 -2,-1.0 4,-2.5 1,-0.2 -1,-0.2 0.792 87.1 59.6 -60.4 -30.1 1.2 45.8 61.3 103 103 A G H > S+ 0 0 2 49,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.945 108.9 43.8 -60.1 -50.0 -0.4 44.5 58.1 104 104 A F H > S+ 0 0 5 -3,-0.4 4,-2.0 1,-0.2 5,-0.2 0.885 113.5 51.9 -62.2 -39.7 -1.0 41.1 59.8 105 105 A H H X S+ 0 0 5 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.895 108.3 52.3 -61.8 -39.2 -2.2 42.9 63.0 106 106 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.913 108.5 50.9 -62.7 -43.7 -4.6 45.0 60.8 107 107 A I H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.936 112.6 43.1 -63.2 -47.3 -6.0 41.9 59.3 108 108 A Q H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.837 112.7 53.6 -69.6 -29.4 -6.7 40.0 62.5 109 109 A S H >X S+ 0 0 1 -4,-2.1 4,-1.9 -5,-0.2 3,-0.6 0.907 105.3 53.8 -69.1 -40.4 -8.0 43.1 64.1 110 110 A Y H 3X S+ 0 0 5 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.855 100.9 61.2 -59.4 -35.2 -10.5 43.5 61.2 111 111 A R H 3X S+ 0 0 21 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.856 105.9 48.3 -61.6 -29.2 -11.6 39.9 61.9 112 112 A I H <>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 3,-1.6 0.918 108.6 54.7 -62.1 -45.3 -18.6 42.6 66.3 117 117 A W H ><5S+ 0 0 56 -4,-2.8 3,-0.9 1,-0.3 -1,-0.2 0.884 110.2 46.6 -57.3 -37.5 -20.3 44.1 63.3 118 118 A N T 3<5S+ 0 0 97 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.433 105.0 61.8 -87.4 4.9 -22.2 40.8 62.8 119 119 A Q T < 5S- 0 0 100 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.034 123.4-101.8-110.4 21.0 -23.0 40.6 66.6 120 120 A N T < 5S+ 0 0 155 -3,-0.9 -3,-0.2 1,-0.1 3,-0.2 0.848 87.2 125.7 62.7 35.0 -25.0 43.8 66.3 121 121 A R >< + 0 0 117 -5,-2.3 4,-2.8 1,-0.2 5,-0.2 -0.486 18.8 152.9-123.2 61.0 -22.2 46.0 67.9 122 122 A K H > + 0 0 128 2,-0.2 4,-2.4 1,-0.2 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