==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 12-NOV-06 2JMH . COMPND 2 MOLECULE: MITE ALLERGEN BLO T 5; . SOURCE 2 ORGANISM_SCIENTIFIC: BLOMIA TROPICALIS; . AUTHOR M.T.NAIK,C.CHANG,I.KUO,K.CHUA,T.HUANG . 117 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 88 75.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 4 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 1 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 Q 0 0 247 0, 0.0 2,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.6 5.3 3.5 -21.6 2 2 A E - 0 0 175 2,-0.0 2,-0.8 0, 0.0 0, 0.0 -0.878 360.0-177.6-109.7 103.2 5.3 6.6 -19.4 3 3 A H + 0 0 192 -2,-0.7 0, 0.0 2,-0.0 0, 0.0 -0.858 12.8 167.9-104.1 104.2 6.5 5.9 -15.9 4 4 A K - 0 0 152 -2,-0.8 2,-0.2 1,-0.0 -2,-0.0 -0.797 40.4 -92.9-115.0 157.6 6.4 9.0 -13.7 5 5 A P - 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.0 -0.452 35.2-168.1 -69.8 134.9 6.7 9.5 -9.9 6 6 A K + 0 0 168 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.880 17.8 156.6-130.4 100.8 3.5 9.6 -8.0 7 7 A K - 0 0 169 -2,-0.5 2,-0.1 0, 0.0 0, 0.0 -0.982 51.1 -98.0-127.7 136.4 3.7 10.8 -4.4 8 8 A D - 0 0 81 -2,-0.4 3,-0.2 1,-0.2 -2,-0.0 -0.282 35.7-174.9 -52.0 115.9 0.9 12.3 -2.2 9 9 A D S S+ 0 0 158 1,-0.2 2,-1.3 -2,-0.1 3,-0.3 0.882 75.4 55.9 -81.9 -42.4 1.4 16.0 -2.4 10 10 A F + 0 0 108 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 -0.657 61.9 145.1 -94.5 80.6 -1.3 17.0 0.1 11 11 A R + 0 0 184 -2,-1.3 2,-0.6 -3,-0.2 -1,-0.2 0.936 46.2 86.4 -80.2 -51.7 -0.3 15.0 3.2 12 12 A N - 0 0 100 -3,-0.3 2,-0.5 1,-0.1 3,-0.3 -0.338 55.9-177.1 -55.3 103.2 -1.3 17.4 5.9 13 13 A E + 0 0 31 -2,-0.6 3,-0.2 1,-0.2 -1,-0.1 -0.393 28.5 140.8-102.1 54.4 -5.0 16.4 6.4 14 14 A F S S+ 0 0 178 -2,-0.5 -1,-0.2 1,-0.2 -2,-0.0 0.950 71.4 53.1 -59.4 -52.2 -5.8 19.1 8.9 15 15 A D S S- 0 0 81 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.811 93.5-152.6 -53.8 -31.0 -9.3 19.8 7.5 16 16 A H - 0 0 122 -3,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.909 20.7-169.4 56.1 45.0 -9.9 16.0 7.8 17 17 A L > - 0 0 105 1,-0.1 4,-2.5 2,-0.0 5,-0.2 -0.293 28.3-122.0 -65.5 150.2 -12.3 16.1 4.9 18 18 A L H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.974 113.9 41.4 -56.2 -60.5 -14.5 13.0 4.3 19 19 A I H > S+ 0 0 27 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.842 112.3 59.2 -57.2 -34.6 -13.3 12.5 0.7 20 20 A E H > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.958 109.7 39.8 -59.8 -53.7 -9.8 13.4 1.8 21 21 A Q H X S+ 0 0 52 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.880 117.2 51.3 -64.0 -39.1 -9.6 10.5 4.4 22 22 A A H X S+ 0 0 3 -4,-2.5 4,-2.8 -5,-0.2 5,-0.3 0.940 111.1 46.2 -63.8 -49.2 -11.4 8.2 2.0 23 23 A N H X S+ 0 0 55 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.900 114.1 48.9 -60.8 -42.4 -9.0 8.9 -1.0 24 24 A H H X S+ 0 0 68 -4,-2.3 4,-2.4 -5,-0.3 5,-0.2 0.877 112.5 48.9 -65.6 -38.5 -6.0 8.5 1.3 25 25 A A H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.950 114.4 42.9 -66.4 -51.1 -7.3 5.2 2.7 26 26 A I H X S+ 0 0 5 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.838 114.8 53.2 -64.4 -33.4 -8.1 3.7 -0.7 27 27 A E H X S+ 0 0 96 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.964 112.2 41.7 -66.4 -54.3 -4.8 5.1 -2.1 28 28 A K H X S+ 0 0 83 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.943 117.6 47.7 -59.0 -50.5 -2.6 3.5 0.6 29 29 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.939 111.8 49.1 -56.9 -50.9 -4.5 0.3 0.6 30 30 A E H X S+ 0 0 61 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.930 111.3 50.1 -54.9 -49.7 -4.4 -0.1 -3.2 31 31 A H H X S+ 0 0 124 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.934 110.3 49.5 -55.2 -50.2 -0.7 0.6 -3.3 32 32 A Q H X S+ 0 0 37 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.889 111.5 50.1 -57.3 -41.2 -0.0 -2.0 -0.6 33 33 A L H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.929 108.9 50.9 -63.9 -46.8 -2.1 -4.5 -2.5 34 34 A L H X S+ 0 0 104 -4,-2.7 4,-0.7 1,-0.2 -2,-0.2 0.912 116.3 41.1 -57.5 -44.9 -0.3 -3.9 -5.8 35 35 A Y H X S+ 0 0 133 -4,-2.4 4,-0.9 1,-0.2 3,-0.5 0.836 112.6 55.3 -72.7 -33.6 3.1 -4.3 -4.1 36 36 A L H X S+ 0 0 3 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.810 92.9 72.0 -68.8 -30.1 1.8 -7.3 -2.1 37 37 A Q H X S+ 0 0 63 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.894 95.4 52.5 -51.8 -44.0 0.7 -9.0 -5.3 38 38 A H H X S+ 0 0 137 -4,-0.7 4,-2.4 -3,-0.5 5,-0.3 0.957 109.0 47.3 -57.9 -54.2 4.4 -9.7 -6.1 39 39 A Q H X S+ 0 0 41 -4,-0.9 4,-2.8 1,-0.2 -1,-0.2 0.855 111.3 53.8 -56.5 -36.5 5.1 -11.3 -2.8 40 40 A L H X S+ 0 0 10 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.922 108.2 48.1 -65.1 -45.4 2.0 -13.4 -3.2 41 41 A D H X S+ 0 0 115 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.916 117.3 42.0 -61.7 -44.9 3.0 -14.7 -6.6 42 42 A E H X S+ 0 0 109 -4,-2.4 4,-2.8 1,-0.2 3,-0.3 0.883 116.1 48.9 -70.1 -39.5 6.5 -15.6 -5.4 43 43 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.812 98.9 69.6 -69.8 -30.5 5.2 -17.0 -2.1 44 44 A N H < S+ 0 0 62 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.914 118.1 19.5 -53.2 -46.9 2.6 -19.0 -4.0 45 45 A E H < S+ 0 0 167 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.882 122.7 57.2 -90.3 -47.5 5.4 -21.3 -5.4 46 46 A N H < S- 0 0 86 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.849 80.5-165.2 -52.3 -36.5 8.1 -20.5 -2.9 47 47 A K < - 0 0 87 -4,-2.6 2,-0.3 -5,-0.2 70,-0.3 0.844 17.1-179.4 50.3 36.7 5.7 -21.7 -0.2 48 48 A S > - 0 0 37 -5,-0.2 4,-2.2 1,-0.2 -1,-0.2 -0.531 26.6-151.3 -72.1 126.7 8.1 -20.1 2.3 49 49 A K H > S+ 0 0 91 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.903 97.7 42.6 -63.5 -42.6 6.9 -20.5 5.9 50 50 A E H > S+ 0 0 150 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.961 114.8 47.8 -68.9 -53.4 8.6 -17.3 7.0 51 51 A L H > S+ 0 0 39 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.860 115.7 47.9 -56.0 -37.1 7.6 -15.2 4.0 52 52 A Q H X S+ 0 0 12 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.974 110.0 48.2 -68.6 -56.9 4.0 -16.5 4.4 53 53 A E H X S+ 0 0 98 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.836 115.2 49.3 -52.9 -34.5 3.7 -15.8 8.1 54 54 A K H X S+ 0 0 156 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.965 110.1 46.8 -70.5 -54.6 5.1 -12.4 7.4 55 55 A I H X S+ 0 0 9 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.867 110.9 55.1 -55.5 -38.4 2.8 -11.5 4.6 56 56 A I H X S+ 0 0 36 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.914 109.5 45.9 -62.2 -44.3 -0.1 -12.7 6.6 57 57 A R H X S+ 0 0 170 -4,-1.5 4,-2.6 -5,-0.2 5,-0.2 0.957 118.0 41.4 -63.8 -52.6 0.7 -10.4 9.5 58 58 A E H X S+ 0 0 85 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.935 117.8 47.0 -61.3 -48.2 1.3 -7.3 7.3 59 59 A L H X S+ 0 0 1 -4,-3.1 4,-2.6 -5,-0.3 -1,-0.2 0.813 112.1 53.6 -63.8 -30.4 -1.8 -8.1 5.1 60 60 A D H X S+ 0 0 93 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.964 111.3 41.7 -69.0 -54.2 -3.8 -8.7 8.3 61 61 A V H X S+ 0 0 74 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.866 119.0 48.0 -61.6 -37.2 -3.0 -5.4 10.0 62 62 A V H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.968 114.0 43.1 -68.2 -55.3 -3.5 -3.6 6.6 63 63 A C H X S+ 0 0 14 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.782 115.9 53.5 -61.8 -26.9 -6.8 -5.3 5.7 64 64 A A H X S+ 0 0 48 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.975 111.7 39.6 -72.2 -58.1 -7.9 -4.8 9.2 65 65 A M H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.842 119.7 49.7 -60.7 -34.0 -7.2 -1.0 9.6 66 66 A I H X S+ 0 0 12 -4,-2.4 4,-3.0 -5,-0.2 5,-0.4 0.928 110.4 48.0 -71.1 -47.0 -8.5 -0.6 6.0 67 67 A E H X S+ 0 0 94 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.932 117.8 41.6 -59.7 -48.1 -11.7 -2.6 6.5 68 68 A G H X S+ 0 0 46 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.949 119.4 43.1 -65.6 -50.7 -12.5 -0.7 9.8 69 69 A A H X S+ 0 0 43 -4,-2.3 4,-3.1 -5,-0.3 5,-0.3 0.957 117.1 46.2 -60.2 -53.6 -11.6 2.7 8.5 70 70 A Q H X S+ 0 0 37 -4,-3.0 4,-3.1 -5,-0.2 5,-0.3 0.932 113.7 49.5 -55.5 -49.7 -13.2 2.3 5.1 71 71 A G H X S+ 0 0 32 -4,-2.3 4,-2.4 -5,-0.4 -1,-0.2 0.940 116.4 40.9 -56.0 -51.7 -16.4 0.9 6.7 72 72 A A H X S+ 0 0 66 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.974 118.5 45.1 -61.6 -57.8 -16.7 3.7 9.2 73 73 A L H X S+ 0 0 34 -4,-3.1 4,-2.8 -5,-0.2 3,-0.4 0.937 114.6 48.8 -51.6 -53.0 -15.7 6.5 6.9 74 74 A E H X S+ 0 0 26 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.912 112.1 48.5 -54.4 -46.2 -18.0 5.2 4.1 75 75 A R H < S+ 0 0 206 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.781 112.1 51.9 -65.8 -27.0 -20.9 4.9 6.6 76 76 A E H >< S+ 0 0 103 -4,-2.0 3,-1.3 -3,-0.4 4,-0.4 0.959 113.6 39.2 -74.0 -54.2 -20.1 8.4 7.7 77 77 A L H >< S+ 0 0 4 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.829 108.8 63.7 -65.2 -32.3 -20.1 10.1 4.3 78 78 A K T 3< S+ 0 0 103 -4,-2.3 -1,-0.3 -5,-0.3 3,-0.2 0.637 81.7 86.8 -66.8 -12.9 -23.1 7.9 3.3 79 79 A R T < S- 0 0 206 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.954 110.1 -21.4 -51.0 -58.6 -25.0 9.7 6.0 80 80 A T S < S+ 0 0 120 -3,-0.7 2,-0.2 -4,-0.4 -1,-0.2 -0.929 76.0 135.5-160.0 131.9 -26.1 12.6 3.8 81 81 A D + 0 0 54 -2,-0.3 2,-0.3 -3,-0.2 -4,-0.0 -0.833 11.7 171.1-177.0 136.7 -24.8 14.1 0.6 82 82 A L + 0 0 131 -2,-0.2 2,-0.3 0, 0.0 3,-0.1 -0.804 31.7 101.5-158.2 110.6 -26.1 15.4 -2.8 83 83 A N > - 0 0 96 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.930 67.5-106.5 179.9 158.4 -24.2 17.2 -5.5 84 84 A I H > S+ 0 0 146 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.971 120.6 36.5 -60.4 -57.1 -22.5 16.9 -8.8 85 85 A L H > S+ 0 0 105 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.929 118.7 50.8 -62.4 -47.1 -18.9 17.1 -7.5 86 86 A E H > S+ 0 0 72 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 111.2 49.0 -57.9 -42.9 -19.8 15.2 -4.3 87 87 A R H X S+ 0 0 161 -4,-2.7 4,-3.1 2,-0.2 -1,-0.2 0.929 112.1 47.9 -63.3 -46.8 -21.4 12.4 -6.4 88 88 A F H X S+ 0 0 118 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.964 115.9 42.5 -58.9 -55.7 -18.4 12.1 -8.7 89 89 A N H X S+ 0 0 51 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.909 116.5 49.3 -58.2 -44.4 -15.8 12.0 -5.9 90 90 A Y H X S+ 0 0 19 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.920 110.2 51.0 -62.0 -45.3 -18.1 9.6 -3.9 91 91 A E H X S+ 0 0 127 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.956 114.9 41.2 -57.3 -54.4 -18.6 7.3 -6.9 92 92 A E H X S+ 0 0 87 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.873 112.2 58.0 -62.2 -38.3 -14.9 7.0 -7.7 93 93 A A H X S+ 0 0 2 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.956 111.4 38.9 -56.7 -54.7 -14.1 6.8 -3.9 94 94 A Q H X S+ 0 0 56 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.838 114.8 56.7 -65.6 -33.3 -16.3 3.7 -3.5 95 95 A T H X S+ 0 0 61 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.956 111.9 39.2 -63.1 -52.5 -15.1 2.3 -6.8 96 96 A L H X S+ 0 0 48 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.923 118.3 48.9 -64.2 -45.7 -11.4 2.4 -5.9 97 97 A S H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.926 111.3 49.7 -60.3 -46.9 -12.0 1.2 -2.4 98 98 A K H X S+ 0 0 129 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.931 111.7 48.7 -58.3 -48.4 -14.3 -1.6 -3.5 99 99 A I H X S+ 0 0 91 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.959 112.6 46.1 -56.9 -55.6 -11.7 -2.8 -6.1 100 100 A L H X S+ 0 0 4 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.813 111.1 56.6 -58.0 -30.6 -8.8 -2.7 -3.6 101 101 A L H X S+ 0 0 29 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.948 108.4 43.9 -66.8 -50.3 -11.1 -4.5 -1.2 102 102 A K H X S+ 0 0 148 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.940 115.7 48.0 -60.5 -49.5 -11.8 -7.5 -3.5 103 103 A D H X S+ 0 0 44 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.927 111.5 50.6 -57.6 -47.8 -8.2 -7.8 -4.6 104 104 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.933 109.6 50.4 -56.6 -49.2 -7.0 -7.7 -1.0 105 105 A K H X S+ 0 0 121 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.925 109.9 50.5 -55.7 -48.1 -9.4 -10.4 0.1 106 106 A E H X S+ 0 0 58 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.927 109.9 50.5 -56.7 -47.9 -8.3 -12.6 -2.7 107 107 A T H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.944 110.2 49.0 -56.1 -52.2 -4.7 -12.2 -1.8 108 108 A E H X S+ 0 0 27 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.924 110.6 51.3 -54.2 -48.7 -5.2 -13.0 1.9 109 109 A Q H X S+ 0 0 108 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.944 109.7 49.0 -54.6 -53.0 -7.2 -16.1 0.9 110 110 A K H X S+ 0 0 80 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.924 110.1 51.7 -53.5 -49.0 -4.5 -17.4 -1.4 111 111 A V H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.904 111.2 47.2 -55.7 -44.2 -1.8 -16.9 1.3 112 112 A K H < S+ 0 0 129 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.796 108.9 56.7 -68.6 -28.5 -3.9 -18.8 3.8 113 113 A D H < S+ 0 0 107 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.922 86.3 90.0 -68.8 -45.6 -4.4 -21.6 1.2 114 114 A I S < S- 0 0 13 -4,-2.3 2,-0.4 -5,-0.1 -69,-0.1 -0.322 78.1-134.2 -56.6 125.7 -0.7 -22.1 0.7 115 115 A Q + 0 0 156 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.693 36.9 155.9 -87.5 133.5 0.5 -24.8 3.1 116 116 A T 0 0 47 -2,-0.4 -68,-0.1 -67,-0.1 -69,-0.1 -0.902 360.0 360.0-146.8 174.0 3.8 -24.1 5.0 117 117 A Q 0 0 179 -70,-0.3 -69,-0.1 -2,-0.3 -2,-0.0 0.794 360.0 360.0 -56.9 360.0 5.7 -25.0 8.2