==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-11 3QNL . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 HOMOLOG 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTHROPS PIRAJAI; . AUTHOR J.I.DOS SANTOS,M.R.M.FONTES . 242 2 13 13 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 64.0 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 . 13 5.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 15 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 37.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 2 0 0 0 0 0 0 2 0 1 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 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 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 S > 0 0 1 0, 0.0 4,-2.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 177.9 -4.3 14.7 -6.0 2 2 A L H > + 0 0 50 58,-1.9 4,-2.7 1,-0.2 5,-0.3 0.785 360.0 63.5 -58.4 -30.7 -3.2 13.3 -9.3 3 3 A F H > S+ 0 0 68 57,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.953 109.1 37.9 -57.0 -53.1 -3.2 16.9 -10.7 4 4 A E H > S+ 0 0 14 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.930 117.0 52.2 -67.0 -42.3 -0.4 17.9 -8.3 5 5 A L H X S+ 0 0 18 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.933 111.4 46.2 -61.1 -44.7 1.5 14.6 -8.6 6 6 A G H X S+ 0 0 17 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.922 111.1 52.0 -67.8 -38.8 1.5 14.7 -12.4 7 7 A K H X S+ 0 0 124 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.940 109.9 50.0 -58.7 -48.1 2.7 18.3 -12.4 8 8 A M H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.878 109.4 49.9 -56.5 -42.3 5.6 17.4 -10.0 9 9 A I H X>S+ 0 0 12 -4,-2.1 4,-2.8 2,-0.2 5,-0.5 0.920 112.5 48.5 -69.2 -38.9 6.7 14.5 -12.2 10 10 A L H X5S+ 0 0 86 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.942 112.9 47.1 -62.2 -46.2 6.6 16.8 -15.2 11 11 A Q H <5S+ 0 0 49 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.902 121.2 37.2 -63.4 -41.1 8.6 19.5 -13.4 12 12 A E H <5S+ 0 0 27 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.933 130.3 25.9 -76.1 -52.5 11.2 17.0 -12.1 13 13 A T H <5S- 0 0 16 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.696 86.6-134.3 -89.4 -24.7 11.6 14.6 -15.0 14 15 A G << + 0 0 62 -4,-2.1 2,-0.3 -5,-0.5 -4,-0.2 0.569 69.3 122.1 76.1 5.3 10.6 16.8 -18.1 15 16 A K S S- 0 0 93 -6,-0.5 -1,-0.3 -5,-0.0 -2,-0.2 -0.802 77.8-105.5-103.6 147.8 8.4 13.7 -19.2 16 17 A N > - 0 0 58 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 -0.497 34.4-149.5 -65.0 119.3 4.7 13.4 -19.8 17 18 A P H >>S+ 0 0 29 0, 0.0 4,-3.0 0, 0.0 5,-0.6 0.913 90.2 50.3 -68.2 -38.8 3.6 11.6 -16.6 18 19 A A H >5S+ 0 0 34 3,-0.2 4,-1.7 2,-0.2 5,-0.3 0.946 115.2 43.4 -61.3 -47.0 0.7 9.7 -18.1 19 20 A K H 45S+ 0 0 84 212,-0.2 90,-0.2 1,-0.2 4,-0.2 0.955 124.5 33.3 -64.3 -50.5 2.8 8.4 -21.1 20 21 A S H <5S+ 0 0 5 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.836 137.3 13.9 -76.4 -33.6 5.9 7.5 -19.1 21 22 A Y H ><5S+ 0 0 12 -4,-3.0 3,-0.5 -5,-0.3 -3,-0.2 0.409 91.5 97.6-130.5 2.3 4.5 6.4 -15.8 22 23 A G T 3< - 0 0 0 -3,-0.5 4,-2.1 85,-0.2 3,-0.6 -0.664 61.0 -39.3 -86.8 133.4 4.9 1.3 -15.9 25 26 A G T 34 S- 0 0 0 82,-2.6 85,-0.1 -2,-0.4 87,-0.0 -0.189 101.5 -46.5 60.7-148.2 6.2 -2.0 -14.4 26 27 A a T 34 S+ 0 0 2 9,-0.1 -1,-0.2 8,-0.1 9,-0.1 0.598 134.8 30.5 -98.5 -8.6 4.3 -3.5 -11.5 27 28 A N T <4 S+ 0 0 0 -3,-0.6 2,-0.5 6,-0.1 -2,-0.2 0.594 87.8 93.0-129.5 -20.1 3.8 -0.4 -9.4 28 29 A b S < S- 0 0 2 -4,-2.1 2,-0.3 3,-0.1 -4,-0.1 -0.734 90.3 -0.3 -84.4 124.8 3.5 2.8 -11.4 29 30 A G S S- 0 0 33 -2,-0.5 -6,-0.2 -6,-0.2 3,-0.2 -0.751 109.9 -10.5 106.4-150.0 -0.1 3.8 -12.3 30 31 A V S S+ 0 0 63 -8,-0.9 122,-0.0 -2,-0.3 0, 0.0 -0.180 99.6 58.7 -80.8 174.4 -3.4 2.0 -11.4 31 32 A L S S- 0 0 53 151,-0.1 -1,-0.2 82,-0.0 -3,-0.1 0.805 92.9 -94.4 77.4 40.2 -3.7 -1.5 -10.0 32 33 A G - 0 0 44 -3,-0.2 2,-0.2 -5,-0.1 16,-0.1 -0.100 60.4 -47.4 68.6-159.7 -1.9 -1.7 -6.6 33 34 A R + 0 0 51 85,-0.1 85,-0.4 15,-0.1 2,-0.3 -0.651 47.1 169.3-115.9 165.0 1.7 -2.9 -6.0 34 35 A G - 0 0 1 -2,-0.2 83,-0.2 83,-0.2 -8,-0.1 -0.942 55.8 -55.4-160.5 172.4 3.8 -6.0 -7.1 35 36 A K S S- 0 0 40 81,-1.4 81,-0.3 -2,-0.3 -9,-0.1 -0.386 71.7-108.3 -56.5 127.1 7.4 -7.0 -6.9 36 37 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.307 19.8-152.5 -67.2 143.3 9.3 -4.1 -8.6 37 38 A K S S- 0 0 73 1,-0.1 2,-0.2 -3,-0.1 -12,-0.1 0.766 71.6 -25.3 -77.9 -33.5 10.8 -4.6 -12.1 38 39 A D S > S- 0 0 26 1,-0.0 4,-2.3 66,-0.0 -1,-0.1 -0.876 84.2 -66.5-163.8-172.4 13.6 -2.0 -11.7 39 40 A A H > S+ 0 0 22 -2,-0.2 4,-1.8 2,-0.2 5,-0.1 0.895 128.4 51.1 -64.5 -43.1 14.6 1.2 -9.9 40 41 A T H > S+ 0 0 0 59,-0.2 4,-1.3 2,-0.2 3,-0.3 0.951 112.4 47.7 -56.7 -49.4 11.8 3.4 -11.6 41 42 A D H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.890 107.6 57.0 -59.8 -41.0 9.2 0.7 -10.6 42 43 A R H X S+ 0 0 127 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.866 99.6 58.3 -61.3 -39.5 10.6 0.7 -7.0 43 44 A c H X S+ 0 0 2 -4,-1.8 4,-1.9 -3,-0.3 -1,-0.2 0.925 108.8 45.8 -49.8 -44.6 10.0 4.5 -6.8 44 45 A b H X S+ 0 0 9 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.831 109.4 54.2 -76.3 -30.9 6.3 3.8 -7.4 45 46 A Y H X S+ 0 0 37 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.940 110.6 46.2 -62.1 -48.4 6.3 0.9 -4.9 46 47 A V H X S+ 0 0 93 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.909 112.5 52.3 -61.8 -38.6 7.7 3.2 -2.1 47 48 A H H X S+ 0 0 18 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.912 107.7 50.1 -64.9 -44.5 5.1 5.9 -3.2 48 49 A K H X S+ 0 0 39 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.1 48.8 -65.7 -36.9 2.2 3.5 -2.9 49 50 A d H X S+ 0 0 19 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.846 107.4 56.4 -67.2 -34.5 3.3 2.5 0.6 50 51 A e H X S+ 0 0 25 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.933 111.0 44.1 -59.2 -44.3 3.6 6.2 1.5 51 52 A Y H >< S+ 0 0 38 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.880 106.0 60.9 -67.5 -36.8 -0.1 6.6 0.5 52 53 A K H 3< S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.879 104.9 49.1 -65.0 -36.1 -1.1 3.5 2.3 53 57 A K H 3< S+ 0 0 148 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.783 88.9 99.4 -76.6 -20.0 0.1 4.9 5.6 54 58 A L << - 0 0 16 -4,-0.9 2,-0.4 -3,-0.6 27,-0.0 -0.338 51.3-174.4 -64.3 140.1 -1.6 8.3 5.3 55 59 A T + 0 0 123 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.991 57.8 37.1-132.0 141.4 -4.9 8.7 7.2 56 60 A G S S+ 0 0 82 -2,-0.4 2,-0.3 1,-0.2 26,-0.1 0.315 105.6 53.5 110.1 -11.1 -7.3 11.6 7.1 57 61 A f S S- 0 0 23 24,-0.1 -1,-0.2 5,-0.0 0, 0.0 -0.956 79.0-110.2-151.7 167.6 -7.2 12.7 3.5 58 67 A N > - 0 0 61 -2,-0.3 4,-2.4 1,-0.2 -3,-0.0 -0.872 16.0-162.2-110.6 112.0 -7.6 11.2 0.0 59 68 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.2 0, 0.0 -8,-0.0 0.793 87.9 51.7 -64.6 -27.5 -4.4 10.9 -2.0 60 69 A K T 4 S+ 0 0 142 -59,-0.2 -58,-1.9 1,-0.1 -57,-0.3 0.942 126.4 13.4 -75.0 -44.7 -6.2 10.5 -5.3 61 70 A K T 4 S+ 0 0 137 -60,-0.2 2,-0.4 -59,-0.1 -1,-0.1 0.684 92.1 104.0-107.3 -22.4 -8.6 13.4 -5.2 62 71 A D < - 0 0 58 -4,-2.4 2,-0.1 1,-0.0 -5,-0.0 -0.507 58.8-144.4 -72.6 126.8 -7.6 15.9 -2.5 63 72 A R + 0 0 140 -2,-0.4 2,-0.3 -60,-0.1 -5,-0.1 -0.466 21.6 178.7 -84.2 161.7 -5.9 19.0 -3.9 64 73 A Y - 0 0 13 -2,-0.1 2,-0.4 -63,-0.1 19,-0.0 -0.970 27.7-102.4-154.1 168.6 -3.1 20.8 -2.0 65 74 A S + 0 0 78 -2,-0.3 11,-1.7 11,-0.1 2,-0.3 -0.780 40.7 156.2-100.3 131.8 -0.7 23.7 -2.4 66 75 A Y E -A 75 0A 35 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.957 23.1-146.2-146.8 160.8 2.9 23.5 -3.4 67 76 A S E -A 74 0A 75 7,-2.1 7,-3.2 -2,-0.3 2,-0.7 -0.885 14.6-133.2-125.2 155.0 5.4 25.9 -5.0 68 77 A W E +A 73 0A 103 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.957 38.2 169.8-106.7 111.8 8.3 25.5 -7.4 69 78 A K E > -A 72 0A 42 3,-2.8 3,-1.1 -2,-0.7 -2,-0.1 -0.990 67.1 -10.8-130.2 127.1 11.1 27.6 -5.8 70 79 A D T 3 S- 0 0 158 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.911 128.3 -59.2 51.1 41.7 14.7 27.6 -7.0 71 80 A K T 3 S+ 0 0 167 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.826 116.2 116.6 56.7 31.7 13.7 24.5 -9.1 72 81 A T E < S-A 69 0A 62 -3,-1.1 -3,-2.8 2,-0.0 2,-0.5 -0.984 70.7-120.0-125.9 139.2 12.7 22.6 -5.9 73 82 A I E -A 68 0A 0 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.686 30.4-167.9 -73.7 124.0 9.2 21.4 -5.0 74 83 A V E -A 67 0A 69 -7,-3.2 -7,-2.1 -2,-0.5 2,-0.6 -0.940 15.0-137.4-120.5 112.3 8.3 23.1 -1.8 75 84 A g E -A 66 0A 12 -2,-0.6 -9,-0.2 -9,-0.2 8,-0.1 -0.559 19.4-128.9 -71.7 121.6 5.2 21.7 0.0 76 85 A G - 0 0 23 -11,-1.7 3,-0.1 -2,-0.6 10,-0.1 -0.149 27.4-106.6 -57.9 152.9 2.8 24.4 1.4 77 86 A E + 0 0 142 1,-0.1 6,-0.3 6,-0.0 -1,-0.1 0.858 62.9 154.0 -54.6 -39.1 1.8 24.0 5.0 78 87 A N - 0 0 58 4,-0.1 -1,-0.1 5,-0.1 -14,-0.1 -0.037 66.7 -51.5 46.5-131.7 -1.7 22.9 4.0 79 88 A N > - 0 0 79 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.842 66.3 -94.6-128.0 163.2 -2.9 20.8 6.9 80 90 A P H > S+ 0 0 103 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.889 122.9 47.0 -52.7 -43.9 -0.8 17.9 8.2 81 91 A f H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 115.5 46.5 -60.8 -44.8 -2.3 15.1 6.1 82 92 A L H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.852 111.7 51.2 -70.1 -31.6 -2.2 17.2 2.9 83 93 A K H X S+ 0 0 66 -4,-2.6 4,-2.5 -6,-0.3 -1,-0.2 0.938 110.5 48.9 -71.7 -38.8 1.4 18.2 3.7 84 94 A E H X S+ 0 0 108 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.909 112.3 49.7 -63.0 -40.3 2.4 14.4 4.2 85 95 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.930 108.6 50.5 -62.8 -46.1 0.6 13.7 0.9 86 96 A g H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.918 110.6 52.2 -58.8 -43.0 2.5 16.5 -0.9 87 97 A E H X S+ 0 0 81 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.877 107.3 50.7 -62.3 -37.6 5.7 15.0 0.6 88 98 A e H X S+ 0 0 5 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.934 114.5 45.2 -61.7 -42.8 4.9 11.4 -0.8 89 99 A D H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.897 112.1 50.6 -71.5 -40.6 4.3 12.9 -4.2 90 100 A K H X S+ 0 0 45 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.934 109.3 52.0 -57.4 -47.3 7.4 15.1 -4.1 91 101 A A H X S+ 0 0 56 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.873 109.6 48.1 -63.6 -40.4 9.5 12.1 -3.1 92 102 A V H X S+ 0 0 6 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.912 109.8 51.8 -68.8 -39.2 8.3 10.0 -6.0 93 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.916 113.5 45.3 -60.7 -42.5 8.8 12.7 -8.6 94 104 A I H X S+ 0 0 40 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.942 113.3 50.3 -64.9 -44.6 12.5 13.1 -7.3 95 105 A c H X S+ 0 0 31 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.914 110.4 49.0 -63.1 -43.8 12.9 9.3 -7.3 96 106 A L H >< S+ 0 0 2 -4,-2.9 3,-0.6 1,-0.2 4,-0.2 0.916 112.3 48.5 -61.2 -45.8 11.6 8.9 -10.9 97 107 A R H >< S+ 0 0 102 -4,-2.0 3,-1.4 1,-0.2 4,-0.3 0.919 108.6 54.4 -60.8 -44.4 13.9 11.7 -12.1 98 108 A E H 3< S+ 0 0 126 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.745 112.4 44.8 -57.8 -26.6 16.9 10.1 -10.3 99 109 A N T XX S+ 0 0 44 -4,-1.0 3,-1.8 -3,-0.6 4,-0.6 0.244 73.9 110.1-109.9 13.6 16.3 6.8 -12.1 100 110 A L G X4 + 0 0 54 -3,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.848 68.8 70.2 -55.7 -36.4 15.7 8.1 -15.7 101 111 A G G 34 S+ 0 0 81 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.695 107.6 34.3 -56.4 -23.7 19.0 6.5 -16.8 102 112 A T G <4 S+ 0 0 87 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.307 82.9 134.4-113.7 6.2 17.6 3.0 -16.3 103 113 A Y << - 0 0 40 -3,-1.3 2,-0.5 -4,-0.6 3,-0.1 -0.332 42.5-154.8 -54.8 135.5 14.0 3.6 -17.4 104 114 A N > - 0 0 73 1,-0.1 3,-2.3 0, 0.0 4,-0.3 -0.954 16.2-153.5-124.6 111.4 13.1 0.8 -19.8 105 115 A K G > S+ 0 0 137 -2,-0.5 3,-2.2 1,-0.3 -1,-0.1 0.810 90.9 75.0 -54.9 -24.5 10.3 1.5 -22.4 106 116 A L G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.781 94.3 51.2 -56.2 -30.0 9.6 -2.3 -22.4 107 117 A Y G X S+ 0 0 61 -3,-2.3 -82,-2.6 3,-0.1 3,-1.2 0.421 85.6 107.3 -87.1 -6.1 7.9 -1.9 -19.0 108 118 A R T < S+ 0 0 33 -3,-2.2 -84,-0.2 -4,-0.3 -88,-0.1 -0.440 90.7 11.8 -69.6 152.2 5.7 0.9 -20.2 109 119 A Y T 3 S- 0 0 31 -90,-0.2 -1,-0.3 1,-0.1 32,-0.2 0.798 101.1-175.2 47.0 31.5 2.0 -0.2 -20.7 110 120 A H < - 0 0 42 -87,-1.5 2,-1.2 -3,-1.2 -1,-0.1 -0.092 35.0-105.8 -61.7 154.8 3.1 -3.3 -18.8 111 121 A L > + 0 0 109 1,-0.2 3,-0.9 3,-0.1 -1,-0.1 -0.642 41.8 178.1 -80.9 88.7 0.8 -6.4 -18.1 112 122 A K T 3 + 0 0 16 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.0 0.835 68.5 69.2 -71.0 -33.4 0.1 -5.9 -14.5 113 123 A P T 3 S+ 0 0 82 0, 0.0 2,-0.8 0, 0.0 -1,-0.3 0.759 99.4 58.1 -60.1 -25.3 -2.2 -8.8 -13.8 114 125 A F S < S+ 0 0 159 -3,-0.9 2,-0.3 2,-0.0 -3,-0.1 -0.867 80.5 116.9-100.2 89.4 0.9 -10.8 -14.3 115 126 A a - 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