==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 19-AUG-09 3IQ3 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 HOMOLOG BOTHROPSTOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTHROPS JARARACUSSU; . AUTHOR G.H.M.SALVADOR,D.P.MARCHI-SALVADOR,M.C.O.SILVA,A.M.SOARES, . 242 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12916.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 62.0 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 . 16 6.6 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 . 13 5.4 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 . 89 36.8 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 . 3 0 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 . 2 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 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 2 0, 0.0 4,-2.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 173.9 12.4 -6.1 7.1 2 2 A L H 3> + 0 0 69 58,-2.3 4,-3.1 1,-0.2 5,-0.3 0.828 360.0 62.9 -55.9 -30.0 9.4 -4.6 5.5 3 3 A F H 3> S+ 0 0 60 57,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.946 108.4 38.1 -61.8 -48.0 8.4 -8.2 4.6 4 4 A E H <> S+ 0 0 7 -3,-0.5 4,-3.0 2,-0.2 5,-0.3 0.922 116.2 53.4 -71.0 -42.0 8.0 -9.2 8.2 5 5 A L H X S+ 0 0 21 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.943 112.2 44.0 -55.0 -49.4 6.5 -5.9 9.2 6 6 A G H X S+ 0 0 15 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.898 113.4 51.4 -64.9 -37.2 3.9 -6.1 6.4 7 7 A K H X S+ 0 0 113 -4,-2.1 4,-2.9 -5,-0.3 -1,-0.2 0.938 110.8 47.8 -66.3 -43.8 3.2 -9.8 7.2 8 8 A M H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.904 111.3 51.2 -64.8 -39.9 2.7 -9.0 10.9 9 9 A I H X>S+ 0 0 11 -4,-2.6 4,-3.1 -5,-0.3 5,-0.6 0.945 111.4 47.5 -61.8 -45.3 0.5 -6.1 10.0 10 10 A L H X5S+ 0 0 83 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.905 113.8 48.4 -57.0 -45.8 -1.6 -8.4 7.8 11 11 A Q H <5S+ 0 0 49 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.893 118.3 37.7 -66.6 -40.3 -1.7 -11.0 10.5 12 12 A E H <5S+ 0 0 21 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.901 130.4 26.8 -79.4 -41.8 -2.7 -8.7 13.3 13 13 A T H <5S- 0 0 12 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.696 89.0-133.2 -99.5 -19.7 -5.1 -6.4 11.4 14 14 A G << + 0 0 58 -4,-1.9 2,-0.3 -5,-0.6 -4,-0.2 0.493 69.1 121.7 79.0 2.6 -6.3 -8.6 8.6 15 15 A K S S- 0 0 95 -6,-0.5 -1,-0.3 1,-0.0 -2,-0.2 -0.756 78.6-102.4-105.1 144.8 -5.6 -5.7 6.3 16 16 A N > - 0 0 57 -2,-0.3 4,-2.4 1,-0.2 5,-0.4 -0.482 36.6-147.4 -56.3 119.0 -3.4 -5.4 3.3 17 17 A P H >>S+ 0 0 29 0, 0.0 4,-2.8 0, 0.0 5,-0.7 0.892 89.9 50.7 -68.0 -38.5 -0.5 -3.6 4.9 18 18 A A H >5S+ 0 0 34 3,-0.2 4,-1.6 2,-0.2 5,-0.3 0.948 115.6 41.6 -63.0 -47.3 0.6 -1.6 1.9 19 19 A K H 45S+ 0 0 85 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.946 126.3 31.6 -67.7 -47.9 -2.8 -0.2 1.2 20 20 A S H <5S+ 0 0 5 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.870 139.0 13.5 -81.0 -38.1 -3.9 0.5 4.7 21 21 A Y H <5S+ 0 0 10 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.2 0.409 95.2 95.3-123.0 0.0 -0.6 1.4 6.4 22 22 A G S <> - 0 0 0 85,-0.2 4,-2.3 84,-0.1 3,-0.7 -0.193 59.6 -42.0 -72.3 135.6 -1.2 6.5 6.5 25 25 A G T 34 S- 0 0 0 82,-2.5 87,-0.1 1,-0.2 84,-0.1 0.012 101.9 -42.5 49.2-147.7 -1.2 9.8 8.4 26 26 A a T 34 S+ 0 0 1 9,-0.2 -1,-0.2 8,-0.1 92,-0.1 0.481 135.5 31.1 -90.6 -5.1 2.0 11.4 9.4 27 27 A N T <4 S+ 0 0 1 -3,-0.7 2,-0.6 6,-0.2 -2,-0.2 0.587 88.1 91.6-131.9 -17.7 3.9 8.4 10.6 28 28 A b S < S- 0 0 1 -4,-2.3 2,-0.4 -5,-0.1 -1,-0.1 -0.819 92.9 -1.6 -92.6 121.6 2.9 5.2 8.8 29 29 A G S S- 0 0 29 -2,-0.6 3,-0.2 -6,-0.2 -6,-0.2 -0.846 110.7 -8.4 108.9-144.0 5.1 4.6 5.8 30 30 A V S S+ 0 0 70 -8,-0.5 82,-0.0 -2,-0.4 0, 0.0 -0.226 99.1 59.8 -83.1 177.4 8.0 6.7 4.5 31 31 A L S S- 0 0 60 -2,-0.0 -1,-0.2 82,-0.0 -3,-0.1 0.807 94.5-107.0 76.4 34.2 9.0 10.2 5.5 32 32 A G - 0 0 36 -3,-0.2 2,-0.2 -5,-0.1 16,-0.1 -0.045 63.7 -29.3 56.8-145.1 9.8 9.7 9.2 33 33 A R + 0 0 44 85,-0.1 85,-0.6 15,-0.1 2,-0.3 -0.637 49.4 170.4-110.4 163.6 7.5 11.0 11.8 34 34 A G B -A 117 0A 1 -2,-0.2 83,-0.2 83,-0.2 -8,-0.1 -0.956 56.8 -60.8-157.3 164.8 5.1 13.9 12.3 35 35 A K S S- 0 0 75 81,-2.4 81,-0.3 -2,-0.3 -9,-0.2 -0.304 72.8-108.6 -51.2 126.0 2.5 14.8 14.9 36 36 A P - 0 0 39 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.317 18.1-150.4 -68.2 144.3 0.1 11.9 14.6 37 37 A K S S- 0 0 86 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.744 74.2 -23.8 -79.2 -27.3 -3.3 12.3 13.1 38 38 A D S > S- 0 0 19 1,-0.1 4,-2.8 69,-0.0 5,-0.2 -0.932 82.4 -70.4-171.6-177.9 -4.9 9.6 15.2 39 39 A A H > S+ 0 0 14 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.909 127.3 53.2 -65.3 -43.2 -4.3 6.5 17.2 40 40 A T H > S+ 0 0 0 59,-0.3 4,-1.2 1,-0.2 3,-0.4 0.959 112.1 46.3 -52.0 -49.1 -3.5 4.4 14.1 41 41 A D H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.901 107.6 56.7 -62.0 -40.1 -0.9 7.0 13.1 42 42 A R H X S+ 0 0 133 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.861 99.4 61.2 -61.9 -30.5 0.5 7.1 16.7 43 43 A c H X S+ 0 0 2 -4,-2.1 4,-2.3 -3,-0.4 -1,-0.2 0.945 107.6 43.3 -56.7 -45.6 1.1 3.4 16.4 44 44 A b H X S+ 0 0 7 -4,-1.2 4,-2.6 -3,-0.4 -2,-0.2 0.836 110.8 57.1 -72.5 -29.1 3.4 4.1 13.5 45 45 A Y H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.953 109.3 42.9 -63.5 -52.9 4.9 7.0 15.4 46 46 A V H X S+ 0 0 92 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.921 112.8 56.9 -57.1 -40.5 5.9 4.8 18.3 47 47 A H H X S+ 0 0 16 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.926 105.7 48.3 -57.9 -47.0 7.0 2.3 15.8 48 48 A K H X S+ 0 0 42 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.915 112.1 48.7 -66.8 -36.9 9.4 4.8 14.2 49 49 A d H X S+ 0 0 9 -4,-2.4 4,-0.8 1,-0.2 3,-0.3 0.902 107.3 56.7 -65.8 -36.3 10.8 5.8 17.6 50 50 A e H >< S+ 0 0 25 -4,-3.0 3,-1.1 1,-0.2 4,-0.3 0.919 104.7 52.7 -58.0 -42.5 11.2 2.1 18.3 51 51 A Y H >< S+ 0 0 40 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.823 98.4 64.1 -64.1 -31.9 13.3 1.8 15.2 52 52 A K H 3< S+ 0 0 142 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.773 96.0 59.4 -65.7 -22.4 15.5 4.6 16.3 53 53 A K T << S+ 0 0 124 -3,-1.1 -1,-0.3 -4,-0.8 2,-0.2 0.550 84.1 107.3 -78.5 -12.9 16.6 2.5 19.3 54 54 A L < - 0 0 18 -3,-1.7 2,-0.4 -4,-0.3 27,-0.1 -0.501 44.7-178.6 -79.4 139.2 18.0 -0.2 17.1 55 55 A T + 0 0 125 -2,-0.2 3,-0.1 1,-0.1 26,-0.1 -0.982 63.9 20.3-137.4 122.9 21.7 -0.7 16.7 56 56 A G S S+ 0 0 70 -2,-0.4 2,-0.3 1,-0.2 26,-0.1 0.432 107.1 70.1 106.5 5.2 23.3 -3.2 14.5 57 57 A f S S- 0 0 24 24,-0.1 -1,-0.2 25,-0.0 3,-0.1 -0.984 73.2-119.8-150.3 160.7 20.5 -4.0 12.1 58 58 A N > - 0 0 57 -2,-0.3 4,-2.6 1,-0.1 3,-0.0 -0.867 15.1-161.0-105.2 106.4 18.5 -2.5 9.2 59 59 A P T 4 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.773 91.3 45.3 -58.2 -27.9 14.7 -2.2 10.0 60 60 A K T 4 S+ 0 0 80 -59,-0.2 -58,-2.3 -58,-0.1 -57,-0.3 0.908 128.0 18.6 -80.8 -44.4 13.9 -1.9 6.3 61 61 A K T 4 S+ 0 0 133 -60,-0.2 2,-0.6 -59,-0.1 -58,-0.1 0.766 94.7 94.6-107.5 -29.9 16.1 -4.6 4.8 62 62 A D < - 0 0 59 -4,-2.6 2,-0.2 1,-0.0 -5,-0.0 -0.578 60.9-151.0 -75.3 116.0 17.1 -7.1 7.4 63 63 A R - 0 0 146 -2,-0.6 2,-0.3 -60,-0.1 -5,-0.1 -0.502 17.2-177.3 -78.0 153.3 14.8 -10.1 7.5 64 64 A Y - 0 0 17 -2,-0.2 2,-0.4 -63,-0.1 19,-0.0 -0.923 25.1-103.4-144.9 171.0 14.3 -11.9 10.8 65 65 A S + 0 0 71 -2,-0.3 11,-2.6 -61,-0.0 2,-0.3 -0.787 39.4 156.8-103.0 135.4 12.4 -14.9 12.0 66 66 A Y E -B 75 0B 28 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.930 24.8-141.5-143.8 166.8 9.2 -14.9 14.0 67 67 A S E -B 74 0B 44 7,-2.2 7,-3.5 -2,-0.3 2,-0.8 -0.870 15.1-127.9-126.0 155.8 6.5 -17.5 14.4 68 68 A W E +B 73 0B 108 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.936 40.7 170.0-106.0 102.0 2.8 -17.3 14.7 69 69 A K E > -B 72 0B 122 3,-2.7 3,-0.7 -2,-0.8 -2,-0.1 -0.982 68.4 -10.1-123.2 124.7 2.1 -19.3 17.9 70 70 A D T 3 S- 0 0 153 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.904 129.0 -59.4 52.3 43.3 -1.3 -19.3 19.5 71 71 A K T 3 S+ 0 0 162 1,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.856 116.1 118.0 53.0 39.2 -2.2 -16.5 17.0 72 72 A T E < S-B 69 0B 53 -3,-0.7 -3,-2.7 2,-0.0 2,-0.5 -0.996 72.0-116.6-132.6 139.9 0.5 -14.4 18.5 73 73 A I E -B 68 0B 0 -2,-0.4 2,-0.6 -5,-0.2 -5,-0.2 -0.653 32.2-169.6 -69.1 121.0 3.6 -13.0 16.9 74 74 A V E -B 67 0B 56 -7,-3.5 -7,-2.2 -2,-0.5 2,-0.1 -0.934 16.2-137.7-118.7 110.3 6.6 -14.6 18.6 75 75 A g E -B 66 0B 10 -2,-0.6 -9,-0.3 -9,-0.2 8,-0.1 -0.413 20.1-123.5 -67.9 135.2 9.8 -13.0 17.7 76 76 A G - 0 0 18 -11,-2.6 3,-0.1 1,-0.1 10,-0.1 -0.266 26.4-106.7 -66.0 161.4 12.6 -15.5 17.1 77 77 A E + 0 0 144 1,-0.2 6,-0.3 6,-0.0 -1,-0.1 0.893 66.3 150.8 -57.4 -40.1 15.8 -15.2 19.1 78 78 A N - 0 0 55 4,-0.1 -1,-0.2 5,-0.1 -14,-0.0 -0.201 66.3 -57.1 48.1-123.8 17.4 -13.9 16.0 79 79 A N > - 0 0 79 -3,-0.1 4,-3.3 1,-0.0 5,-0.4 -0.874 61.2 -87.7-135.3 172.3 20.1 -11.6 17.5 80 80 A P H > S+ 0 0 109 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.894 126.6 42.4 -50.2 -47.2 19.6 -8.7 19.9 81 81 A f H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.957 117.7 45.4 -63.3 -48.1 19.0 -6.1 17.2 82 82 A L H > S+ 0 0 29 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.858 113.5 50.3 -64.8 -35.4 16.8 -8.3 15.0 83 83 A K H X S+ 0 0 68 -4,-3.3 4,-3.0 -6,-0.3 -1,-0.2 0.955 112.0 47.0 -70.3 -41.3 14.8 -9.4 18.0 84 84 A E H X S+ 0 0 79 -4,-2.6 4,-2.2 -5,-0.4 -2,-0.2 0.904 113.9 48.8 -63.8 -38.7 14.3 -5.8 19.1 85 85 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.927 109.9 51.3 -61.4 -48.9 13.3 -5.0 15.5 86 86 A g H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.927 110.0 49.9 -56.8 -43.4 11.0 -7.9 15.5 87 87 A E H X S+ 0 0 80 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.867 108.1 52.8 -67.6 -34.4 9.5 -6.6 18.7 88 88 A e H X S+ 0 0 1 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.934 113.4 44.4 -58.9 -45.6 9.1 -3.1 17.2 89 89 A D H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.920 111.8 51.2 -69.4 -44.7 7.2 -4.6 14.3 90 90 A K H X S+ 0 0 40 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.935 109.9 51.8 -58.0 -42.4 5.1 -6.8 16.4 91 91 A A H X S+ 0 0 50 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.915 109.4 47.9 -65.4 -42.5 4.1 -3.9 18.6 92 92 A V H X S+ 0 0 5 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.927 111.1 50.9 -66.8 -37.7 3.1 -1.8 15.7 93 93 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.927 113.5 45.3 -63.4 -44.0 1.0 -4.6 14.2 94 94 A I H X S+ 0 0 42 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.943 113.3 50.4 -60.2 -46.8 -0.7 -5.1 17.5 95 95 A c H X S+ 0 0 32 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.917 109.5 50.8 -61.3 -42.8 -1.2 -1.4 18.0 96 96 A L H < S+ 0 0 0 -4,-3.1 4,-0.2 1,-0.2 -1,-0.2 0.919 111.5 48.2 -65.4 -41.4 -2.7 -1.1 14.5 97 97 A R H >< S+ 0 0 96 -4,-2.3 3,-1.8 -5,-0.2 4,-0.4 0.948 109.1 52.2 -61.9 -47.9 -5.1 -3.9 15.2 98 98 A E H 3< S+ 0 0 127 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.806 116.7 41.2 -58.4 -25.7 -6.1 -2.4 18.6 99 99 A N T >< S+ 0 0 43 -4,-1.6 3,-1.8 -3,-0.2 4,-0.3 0.243 77.9 107.6-107.4 13.1 -6.9 0.8 16.8 100 100 A L G X + 0 0 53 -3,-1.8 3,-1.7 1,-0.3 -1,-0.2 0.847 68.6 72.2 -61.2 -30.1 -8.5 -0.5 13.7 101 101 A G G 3 S+ 0 0 82 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.721 105.7 35.8 -60.2 -23.2 -11.9 0.8 15.0 102 102 A T G < S+ 0 0 85 -3,-1.8 -1,-0.3 2,-0.1 -2,-0.2 0.247 81.6 137.2-115.6 7.6 -10.8 4.4 14.4 103 103 A Y < - 0 0 39 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.0 -0.378 38.2-161.2 -48.6 129.9 -8.9 3.8 11.2 104 104 A N > - 0 0 63 1,-0.1 3,-2.2 -2,-0.0 4,-0.3 -0.977 18.3-152.4-127.1 119.0 -9.9 6.6 8.9 105 105 A K G > S+ 0 0 137 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.668 90.4 76.8 -64.3 -16.1 -9.3 6.2 5.2 106 106 A K G 3 S+ 0 0 140 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.750 94.7 51.0 -66.1 -21.0 -9.1 10.0 4.9 107 107 A Y G X S+ 0 0 42 -3,-2.2 -82,-2.5 3,-0.1 3,-1.7 0.532 82.5 106.9 -92.3 -8.7 -5.6 9.6 6.3 108 108 A R T < S+ 0 0 32 -3,-1.2 -84,-0.1 -4,-0.3 3,-0.1 -0.610 95.1 9.9 -69.1 128.9 -4.6 6.9 3.9 109 109 A Y T 3 S+ 0 0 35 -2,-0.3 -1,-0.3 1,-0.2 32,-0.2 0.675 91.3 177.4 71.6 21.6 -2.2 8.7 1.4 110 110 A H < - 0 0 38 -3,-1.7 2,-1.1 -87,-0.3 -1,-0.2 -0.270 40.2-109.4 -54.8 137.5 -2.1 11.6 3.7 111 111 A L > - 0 0 63 1,-0.2 3,-2.3 -3,-0.1 -1,-0.1 -0.618 30.8-160.9 -77.3 101.3 0.3 14.2 2.3 112 112 A K G > S+ 0 0 20 -2,-1.1 3,-0.5 1,-0.3 -1,-0.2 0.824 84.6 69.3 -62.6 -33.9 3.1 13.8 4.8 113 113 A P G 3 S+ 0 0 75 0, 0.0 2,-1.1 0, 0.0 -1,-0.3 0.834 92.8 64.9 -47.6 -30.7 4.6 17.2 4.0 114 114 A F G < S+ 0 0 151 -3,-2.3 2,-0.4 2,-0.0 -3,-0.1 -0.381 82.9 109.1 -90.5 54.2 1.4 18.5 5.6 115 115 A a S < S- 0 0 29 -2,-1.1 2,-0.1 -3,-0.5 3,-0.1 -0.995 72.7-121.0-128.2 135.7 2.5 17.1 8.9 116 116 A K - 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