==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 09-FEB-11 3QO7 . COMPND 2 MOLECULE: SERYL-TRNA SYNTHETASE, CYTOPLASMIC; . SOURCE 2 ORGANISM_SCIENTIFIC: CANDIDA ALBICANS; . AUTHOR R.ROCHA,M.A.SANTOS,P.J.B.PEREIRA,S.MACEDO-RIBEIRO . 440 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22002.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 0.5 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 . 28 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 153 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 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 1 1 3 1 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 1 2 0 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 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 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 32 0, 0.0 374,-0.1 0, 0.0 105,-0.1 0.000 360.0 360.0 360.0 166.6 1.9 -30.9 18.4 2 2 A L - 0 0 12 103,-0.4 2,-0.2 106,-0.3 106,-0.1 -0.312 360.0 -88.1 -67.6 159.8 3.1 -34.4 17.4 3 3 A D > - 0 0 27 1,-0.1 3,-1.2 -2,-0.0 4,-0.4 -0.492 28.5-127.3 -67.8 142.0 5.1 -36.4 20.0 4 4 A I G > S+ 0 0 53 1,-0.2 3,-2.1 2,-0.2 4,-0.3 0.919 110.3 60.6 -52.1 -45.9 8.9 -35.8 19.9 5 5 A N G > S+ 0 0 46 1,-0.3 3,-1.2 2,-0.2 8,-0.3 0.706 87.8 72.7 -55.8 -22.9 9.4 -39.6 19.6 6 6 A A G < S+ 0 0 31 -3,-1.2 8,-1.6 1,-0.3 -1,-0.3 0.763 97.1 50.6 -66.7 -19.7 7.4 -39.5 16.3 7 7 A F G < S+ 0 0 0 -3,-2.1 2,-0.7 -4,-0.4 -1,-0.3 0.604 97.4 81.4 -87.0 -11.1 10.5 -37.9 14.8 8 8 A L X > - 0 0 2 -3,-1.2 5,-2.7 -4,-0.3 3,-1.0 -0.840 53.3-169.1-111.1 107.1 13.0 -40.5 16.1 9 9 A V G > 5S+ 0 0 91 -2,-0.7 3,-1.6 1,-0.2 -1,-0.2 0.884 92.4 58.3 -54.4 -36.5 13.5 -43.8 14.3 10 10 A E G 3 5S+ 0 0 125 1,-0.3 -1,-0.2 2,-0.1 -5,-0.1 0.744 106.1 47.9 -71.6 -23.5 15.5 -45.0 17.3 11 11 A K G < 5S- 0 0 115 -3,-1.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.042 131.1 -89.7-103.6 29.5 12.6 -44.5 19.7 12 12 A G T < 5S+ 0 0 74 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.432 85.2 137.8 82.8 -1.3 10.0 -46.2 17.4 13 13 A G < - 0 0 17 -5,-2.7 -7,-0.2 -8,-0.3 -1,-0.2 -0.014 50.2-139.3 -68.2 177.9 9.1 -43.1 15.5 14 14 A D >> + 0 0 83 -8,-1.6 4,-1.3 1,-0.1 3,-1.0 -0.549 21.5 173.5-139.5 71.1 8.6 -42.7 11.8 15 15 A P H 3> S+ 0 0 7 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.741 79.3 63.1 -54.5 -20.0 10.1 -39.4 10.5 16 16 A E H 3> S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.909 97.8 52.1 -73.1 -40.6 9.3 -40.5 6.9 17 17 A I H <> S+ 0 0 68 -3,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.894 110.8 52.2 -59.1 -34.8 5.5 -40.5 7.5 18 18 A I H X S+ 0 0 2 -4,-1.3 4,-2.7 -12,-0.2 -2,-0.2 0.908 107.8 48.2 -71.6 -44.7 6.0 -37.0 8.8 19 19 A K H X S+ 0 0 37 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.948 112.2 50.2 -58.0 -50.4 8.0 -35.7 5.8 20 20 A A H X S+ 0 0 35 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.927 110.7 50.5 -54.5 -43.9 5.3 -37.2 3.5 21 21 A S H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.936 108.1 51.7 -61.8 -45.5 2.6 -35.5 5.6 22 22 A Q H X>S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 4,-1.2 0.883 109.3 51.6 -57.2 -38.6 4.4 -32.1 5.3 23 23 A K H ><5S+ 0 0 142 -4,-2.2 3,-0.7 2,-0.2 -2,-0.2 0.949 108.1 49.4 -65.3 -50.0 4.6 -32.5 1.5 24 24 A K H 3<5S+ 0 0 26 -4,-2.4 95,-0.4 1,-0.2 -1,-0.2 0.850 112.7 50.2 -54.4 -35.0 0.9 -33.2 1.2 25 25 A R H 3<5S- 0 0 6 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.736 109.3-125.5 -72.6 -25.9 0.3 -30.1 3.4 26 26 A G T <<5 + 0 0 49 -4,-1.2 -3,-0.2 -3,-0.7 2,-0.2 0.564 69.3 128.8 82.3 13.1 2.5 -28.0 1.2 27 27 A D < - 0 0 68 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.477 69.2 -62.0 -95.5 169.6 4.5 -27.1 4.4 28 28 A S - 0 0 51 -2,-0.2 -1,-0.1 1,-0.1 4,-0.1 -0.205 39.1-176.2 -57.0 127.9 8.3 -27.3 5.1 29 29 A V S >> S+ 0 0 40 2,-0.1 3,-1.7 1,-0.1 4,-0.7 0.751 79.8 65.8 -93.5 -30.1 9.9 -30.7 4.9 30 30 A E H 3> S+ 0 0 130 1,-0.3 4,-2.7 2,-0.2 3,-0.3 0.801 85.6 78.2 -63.6 -25.4 13.4 -29.7 5.9 31 31 A L H 3> S+ 0 0 11 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.789 87.4 57.2 -52.2 -33.4 11.8 -28.9 9.3 32 32 A V H <> S+ 0 0 0 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.941 108.4 43.4 -68.5 -45.7 11.8 -32.6 10.1 33 33 A D H X S+ 0 0 82 -4,-0.7 4,-2.5 -3,-0.3 5,-0.2 0.904 111.3 56.2 -66.6 -38.4 15.5 -33.1 9.7 34 34 A E H X S+ 0 0 76 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.951 108.2 47.7 -55.1 -47.7 16.1 -29.9 11.6 35 35 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.906 110.1 51.6 -61.4 -44.4 14.1 -31.3 14.5 36 36 A I H X S+ 0 0 21 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.894 112.1 47.5 -60.5 -40.1 16.0 -34.6 14.4 37 37 A A H X S+ 0 0 47 -4,-2.5 4,-2.0 2,-0.2 3,-0.3 0.935 110.7 49.4 -65.8 -48.2 19.3 -32.7 14.5 38 38 A E H X S+ 0 0 58 -4,-2.7 4,-2.7 1,-0.3 -1,-0.2 0.894 106.2 59.5 -59.4 -39.4 18.3 -30.4 17.3 39 39 A Y H X S+ 0 0 29 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.3 0.885 104.5 48.5 -56.2 -44.1 17.2 -33.5 19.2 40 40 A K H X S+ 0 0 110 -4,-1.4 4,-2.5 -3,-0.3 -1,-0.2 0.894 110.9 50.4 -63.3 -41.8 20.7 -35.0 19.1 41 41 A E H X S+ 0 0 93 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.941 110.5 50.4 -59.6 -45.0 22.3 -31.7 20.3 42 42 A W H X S+ 0 0 52 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.918 109.7 50.0 -60.7 -42.4 19.8 -31.6 23.1 43 43 A V H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.901 108.2 53.6 -63.5 -40.4 20.7 -35.2 24.0 44 44 A K H X S+ 0 0 119 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.922 109.3 48.7 -57.6 -46.3 24.4 -34.3 24.0 45 45 A L H X S+ 0 0 32 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.937 108.3 54.0 -60.4 -45.9 23.7 -31.5 26.4 46 46 A R H X S+ 0 0 92 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.887 112.1 45.1 -54.3 -39.9 21.7 -33.9 28.6 47 47 A F H X S+ 0 0 120 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.933 113.9 47.1 -71.4 -47.9 24.7 -36.3 28.8 48 48 A D H X S+ 0 0 60 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.937 113.5 49.0 -57.3 -50.9 27.3 -33.6 29.4 49 49 A L H X S+ 0 0 14 -4,-3.1 4,-2.5 -5,-0.2 -2,-0.2 0.946 113.0 48.3 -50.5 -50.3 25.1 -32.1 32.1 50 50 A D H X S+ 0 0 62 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.896 111.5 48.5 -61.7 -42.1 24.7 -35.6 33.6 51 51 A E H X S+ 0 0 102 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.850 109.5 53.7 -67.7 -36.6 28.5 -36.3 33.5 52 52 A H H X S+ 0 0 12 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.916 104.5 55.5 -62.4 -44.1 29.1 -32.9 35.1 53 53 A N H X S+ 0 0 57 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.968 111.6 43.3 -48.7 -57.4 26.7 -33.9 37.9 54 54 A K H X S+ 0 0 121 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.855 113.7 49.6 -61.8 -39.3 28.8 -37.0 38.6 55 55 A K H X S+ 0 0 112 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.891 110.7 50.6 -67.3 -41.3 32.2 -35.3 38.3 56 56 A L H X S+ 0 0 21 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.956 108.6 52.4 -59.5 -48.5 31.1 -32.6 40.7 57 57 A N H X S+ 0 0 94 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.919 112.4 45.8 -52.2 -46.9 29.9 -35.2 43.2 58 58 A S H X S+ 0 0 65 -4,-2.1 4,-1.9 1,-0.2 3,-0.4 0.964 112.2 48.5 -60.3 -55.1 33.3 -36.9 43.0 59 59 A V H X S+ 0 0 3 -4,-2.8 4,-1.4 1,-0.3 -1,-0.2 0.741 110.0 55.5 -62.2 -22.5 35.3 -33.7 43.3 60 60 A Q H X S+ 0 0 90 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.3 0.903 106.9 48.2 -71.8 -43.2 33.1 -32.8 46.3 61 61 A K H X S+ 0 0 155 -4,-1.8 4,-1.4 -3,-0.4 -2,-0.2 0.781 111.5 49.7 -70.3 -29.6 33.9 -36.0 48.1 62 62 A E H X S+ 0 0 98 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.876 109.1 52.5 -74.4 -38.0 37.6 -35.6 47.6 63 63 A I H X S+ 0 0 12 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.834 108.6 51.3 -64.6 -33.4 37.4 -32.0 48.8 64 64 A G H X S+ 0 0 40 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.895 108.1 51.1 -69.5 -41.6 35.7 -33.3 52.0 65 65 A K H X S+ 0 0 159 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.877 110.1 50.3 -61.1 -40.5 38.4 -35.9 52.6 66 66 A R H <>S+ 0 0 58 -4,-1.9 5,-3.5 1,-0.2 -1,-0.2 0.842 109.2 49.8 -68.7 -35.9 41.1 -33.2 52.3 67 67 A F H <5S+ 0 0 129 -4,-1.5 -1,-0.2 3,-0.2 -2,-0.2 0.709 110.7 52.8 -73.2 -23.2 39.3 -30.9 54.8 68 68 A K H <5S+ 0 0 179 -4,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.913 109.5 45.7 -74.9 -46.5 39.1 -33.9 57.1 69 69 A A T <5S- 0 0 54 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.482 114.9-119.8 -72.7 -1.5 42.8 -34.6 56.8 70 70 A K T 5 + 0 0 196 1,-0.2 2,-0.3 -4,-0.2 -3,-0.2 0.880 65.2 145.7 60.3 40.7 43.4 -30.9 57.4 71 71 A E < - 0 0 106 -5,-3.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.838 57.0 -95.6-110.7 147.8 45.1 -30.6 54.0 72 72 A D - 0 0 95 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.253 31.1-172.4 -54.4 140.5 45.1 -27.8 51.5 73 73 A A > + 0 0 4 1,-0.1 4,-2.8 2,-0.1 5,-0.3 -0.022 40.9 126.4-126.3 31.8 42.5 -28.2 48.7 74 74 A K H > S+ 0 0 157 1,-0.2 4,-0.7 2,-0.2 -1,-0.1 0.723 78.6 47.5 -62.8 -23.8 43.5 -25.2 46.3 75 75 A D H > S+ 0 0 98 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.836 114.7 43.4 -85.5 -39.2 43.7 -27.6 43.3 76 76 A L H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.882 112.0 53.5 -71.6 -42.7 40.4 -29.5 43.9 77 77 A I H X S+ 0 0 54 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.888 107.9 52.6 -58.8 -38.9 38.6 -26.3 44.7 78 78 A A H X S+ 0 0 52 -4,-0.7 4,-1.3 -5,-0.3 -1,-0.2 0.843 111.0 45.9 -64.6 -36.8 39.9 -24.9 41.3 79 79 A E H X S+ 0 0 92 -4,-1.2 4,-2.8 2,-0.2 5,-0.3 0.873 108.4 56.1 -76.2 -36.2 38.6 -28.0 39.5 80 80 A K H X S+ 0 0 66 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.898 110.3 45.7 -58.3 -41.0 35.3 -27.8 41.3 81 81 A E H X S+ 0 0 96 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.780 111.6 51.4 -76.2 -28.9 34.9 -24.2 40.1 82 82 A K H X S+ 0 0 142 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.961 113.3 44.1 -67.5 -55.3 35.9 -25.1 36.5 83 83 A L H X S+ 0 0 10 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.872 115.2 51.2 -53.3 -40.5 33.4 -28.0 36.4 84 84 A S H X S+ 0 0 43 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.898 105.7 51.3 -71.3 -44.0 30.8 -25.7 38.0 85 85 A N H X S+ 0 0 95 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.879 113.3 48.9 -61.1 -35.3 31.2 -22.8 35.5 86 86 A E H X S+ 0 0 78 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.912 104.4 56.2 -67.0 -46.9 30.8 -25.3 32.8 87 87 A K H X S+ 0 0 63 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.885 106.4 54.9 -55.0 -35.7 27.7 -26.8 34.4 88 88 A K H X S+ 0 0 132 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.966 109.2 43.6 -62.0 -53.7 26.3 -23.3 34.2 89 89 A E H X S+ 0 0 116 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.967 114.3 50.7 -55.8 -53.6 26.9 -22.8 30.5 90 90 A I H X S+ 0 0 13 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.903 108.9 51.7 -49.1 -48.9 25.5 -26.3 29.7 91 91 A I H X S+ 0 0 77 -4,-2.5 4,-1.6 -5,-0.3 -1,-0.2 0.911 110.4 48.4 -56.4 -44.5 22.4 -25.6 31.8 92 92 A E H X S+ 0 0 146 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.831 114.9 45.5 -65.0 -34.7 21.7 -22.4 29.9 93 93 A K H X S+ 0 0 114 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.831 107.5 55.2 -78.5 -37.7 22.2 -24.1 26.5 94 94 A E H X S+ 0 0 32 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.896 109.1 50.0 -64.0 -36.6 20.1 -27.2 27.3 95 95 A A H X S+ 0 0 52 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.873 111.5 47.0 -68.9 -38.1 17.2 -24.8 28.1 96 96 A E H X S+ 0 0 94 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.830 112.8 50.2 -74.4 -30.4 17.7 -22.9 24.9 97 97 A A H X S+ 0 0 16 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.928 111.0 48.1 -71.7 -47.7 17.9 -26.2 22.9 98 98 A D H X S+ 0 0 40 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.919 111.7 52.5 -53.4 -44.0 14.7 -27.5 24.5 99 99 A K H X S+ 0 0 116 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.914 112.8 41.2 -64.9 -44.7 13.1 -24.1 23.8 100 100 A N H X S+ 0 0 64 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.858 112.6 54.4 -72.1 -38.3 13.9 -24.1 20.1 101 101 A L H X S+ 0 0 7 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.936 110.3 47.0 -58.8 -48.9 13.2 -27.8 19.6 102 102 A R H X S+ 0 0 142 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.876 111.4 51.0 -62.0 -38.9 9.7 -27.3 21.1 103 103 A S H < S+ 0 0 60 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.2 0.882 112.5 47.6 -67.0 -35.7 9.1 -24.2 18.9 104 104 A K H >< S+ 0 0 49 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.930 109.7 49.5 -73.4 -46.4 10.1 -26.2 15.8 105 105 A I H >< S+ 0 0 7 -4,-2.8 3,-1.3 1,-0.3 -103,-0.4 0.829 103.6 66.0 -57.5 -29.6 8.0 -29.2 16.5 106 106 A N T 3< S+ 0 0 46 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.715 95.1 55.3 -67.4 -22.5 5.2 -26.7 17.1 107 107 A Q T < S+ 0 0 77 -3,-1.5 2,-0.5 -4,-0.4 -1,-0.3 0.554 85.5 100.7 -84.5 -10.6 5.2 -25.7 13.4 108 108 A V S < S- 0 0 0 -3,-1.3 -106,-0.3 -4,-0.4 3,-0.1 -0.672 71.1-131.6 -86.0 123.0 4.7 -29.3 12.2 109 109 A G - 0 0 0 -2,-0.5 234,-0.2 1,-0.1 233,-0.1 -0.161 31.4 -86.9 -67.0 162.2 1.2 -30.1 11.1 110 110 A N - 0 0 5 232,-3.5 2,-0.4 231,-0.2 -1,-0.1 -0.185 58.4 -82.6 -62.0 160.1 -0.7 -33.2 12.2 111 111 A I - 0 0 48 232,-0.1 2,-0.5 1,-0.1 -1,-0.1 -0.544 45.8-123.9 -71.5 124.2 -0.3 -36.4 10.2 112 112 A V - 0 0 3 -2,-0.4 234,-0.2 -94,-0.1 233,-0.1 -0.579 28.8-116.8 -71.9 119.1 -2.6 -36.2 7.2 113 113 A H > - 0 0 67 232,-2.2 3,-1.9 -2,-0.5 -1,-0.1 -0.202 20.7-119.2 -52.2 141.0 -4.8 -39.3 7.3 114 114 A E T 3 S+ 0 0 130 1,-0.3 -1,-0.1 232,-0.0 4,-0.1 0.801 109.5 66.2 -56.8 -30.4 -4.2 -41.6 4.2 115 115 A S T 3 S+ 0 0 57 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.723 81.7 99.8 -66.4 -19.2 -7.9 -41.2 3.1 116 116 A V S < S- 0 0 12 -3,-1.9 2,-0.2 229,-0.2 220,-0.1 -0.449 83.2-109.5 -71.0 135.6 -7.3 -37.5 2.4 117 117 A V - 0 0 47 218,-0.2 220,-2.8 217,-0.2 2,-0.9 -0.469 26.4-129.0 -61.5 127.5 -6.7 -36.4 -1.3 118 118 A D + 0 0 101 -2,-0.2 2,-0.3 218,-0.2 -1,-0.1 -0.719 64.0 104.9 -82.7 105.4 -3.0 -35.2 -1.8 119 119 A S - 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