==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 24-JUN-09 3I03 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 HOMOLOG BOTHROPSTOXIN-1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOTHROPS JARARACUSSU; . AUTHOR D.P.MARCHI-SALVADOR,C.A.H.FERNANDES,A.M.SOARES,M.R.M.FONTES . 121 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 74 61.2 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 . 7 5.8 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 . 1 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 . 7 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 0 0 0 0 0 0 1 1 0 0 0 0 0 1 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 . 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 0, 0.0 4,-2.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 176.7 13.5 4.5 23.5 2 2 A L H > + 0 0 95 58,-2.5 4,-2.7 1,-0.2 5,-0.2 0.761 360.0 62.5 -61.0 -24.1 16.8 3.8 25.3 3 3 A F H > S+ 0 0 146 57,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.949 107.9 39.6 -66.1 -47.7 18.2 3.1 21.8 4 4 A E H > S+ 0 0 13 -3,-0.4 4,-2.8 2,-0.2 -2,-0.2 0.916 116.6 51.4 -67.6 -40.4 17.6 6.6 20.7 5 5 A L H X S+ 0 0 18 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.928 111.2 46.8 -61.5 -48.1 18.7 8.0 24.0 6 6 A G H X S+ 0 0 18 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.914 112.5 50.5 -61.7 -40.2 21.9 6.0 23.9 7 7 A K H X S+ 0 0 124 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.931 110.7 49.2 -64.2 -43.2 22.5 7.1 20.4 8 8 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.907 110.5 50.2 -61.2 -42.1 22.0 10.7 21.3 9 9 A I H X>S+ 0 0 12 -4,-2.6 4,-2.9 1,-0.2 6,-0.5 0.914 112.3 47.7 -63.7 -39.7 24.3 10.5 24.2 10 10 A L H X5S+ 0 0 86 -4,-2.5 4,-2.2 3,-0.2 -2,-0.2 0.923 112.0 50.3 -65.3 -43.9 26.9 8.9 22.0 11 11 A Q H <5S+ 0 0 47 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.907 119.9 34.3 -62.6 -43.0 26.4 11.6 19.3 12 12 A E H <5S+ 0 0 23 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.914 131.6 27.4 -76.9 -48.2 26.7 14.5 21.8 13 13 A T H <5S- 0 0 14 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.718 85.2-137.1 -91.9 -25.1 29.3 13.1 24.2 14 14 A G << + 0 0 59 -4,-2.2 2,-0.3 -5,-0.5 -4,-0.2 0.505 66.5 125.7 77.2 0.1 31.3 10.7 22.1 15 15 A K S S- 0 0 93 -6,-0.5 -1,-0.3 1,-0.0 -2,-0.2 -0.715 77.0-104.1 -92.9 144.7 31.0 8.3 25.3 16 16 A N > - 0 0 94 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 -0.570 37.3-146.8 -56.6 113.6 29.7 4.8 25.4 17 17 A P H >>S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.6 0.902 90.7 47.7 -60.6 -45.1 26.4 5.6 27.0 18 18 A A H >5S+ 0 0 73 3,-0.2 4,-1.5 2,-0.2 5,-0.2 0.934 116.8 44.0 -64.1 -42.1 26.0 2.5 29.0 19 19 A K H 45S+ 0 0 117 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.956 124.7 31.8 -68.2 -47.9 29.5 2.7 30.4 20 20 A S H <5S+ 0 0 4 -4,-2.8 -2,-0.2 1,-0.1 -1,-0.2 0.839 139.2 13.5 -82.0 -30.1 29.5 6.4 31.2 21 21 A Y H <5S+ 0 0 9 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.424 94.3 95.5-130.5 -2.0 25.9 7.0 32.1 22 22 A G S <> - 0 0 0 85,-0.2 4,-2.2 -3,-0.1 3,-0.6 -0.369 61.8 -43.0 -77.0 132.0 26.2 7.2 37.1 25 25 A G T 34 S- 0 0 0 82,-2.9 87,-0.1 1,-0.2 90,-0.1 -0.084 101.5 -43.0 52.8-144.2 25.5 8.9 40.3 26 26 A a T 34 S+ 0 0 5 9,-0.2 -1,-0.2 8,-0.1 92,-0.1 0.562 135.6 30.1 -96.6 -7.4 22.0 9.0 41.7 27 27 A N T <4 S+ 0 0 1 -3,-0.6 2,-0.8 6,-0.1 -2,-0.2 0.583 89.1 91.4-129.3 -21.4 20.0 9.6 38.6 28 28 A b S < S+ 0 0 2 -4,-2.2 2,-0.4 -5,-0.1 -1,-0.1 -0.770 91.3 3.3 -86.8 116.1 21.7 8.3 35.5 29 29 A G S S+ 0 0 29 -2,-0.8 -6,-0.2 -6,-0.2 -7,-0.1 -0.888 103.5 18.1 121.1-144.9 20.5 4.8 34.8 30 30 A V S S+ 0 0 96 -8,-0.6 0, 0.0 -2,-0.4 0, 0.0 -0.003 99.3 2.2 -71.9 166.5 17.9 2.6 36.4 31 31 A L S S- 0 0 155 -3,-0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.148 96.5 -49.2 57.3-148.1 15.0 3.3 38.7 32 32 A G - 0 0 42 1,-0.2 2,-0.2 -4,-0.1 16,-0.1 0.250 68.0 -52.1-101.1-142.7 14.2 6.9 39.7 33 33 A R + 0 0 69 15,-0.1 85,-0.5 85,-0.1 2,-0.3 -0.467 36.3 177.1 -99.7 168.1 15.8 9.9 41.0 34 34 A G B -A 117 0A 1 83,-0.2 83,-0.2 -2,-0.2 -8,-0.1 -0.948 53.3 -65.0-156.8 165.3 18.0 10.9 43.9 35 35 A K S S- 0 0 111 81,-2.7 81,-0.3 -2,-0.3 -9,-0.2 -0.411 70.5-106.8 -56.0 125.3 19.7 14.0 45.1 36 36 A P - 0 0 24 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.278 20.3-153.1 -62.5 143.8 22.2 14.7 42.3 37 37 A K S S- 0 0 62 1,-0.2 2,-0.3 -3,-0.1 -12,-0.1 0.768 73.2 -26.3 -82.8 -28.5 25.9 14.0 43.0 38 38 A D S > S- 0 0 23 1,-0.0 4,-2.5 69,-0.0 -1,-0.2 -0.897 83.9 -66.2-166.8-171.2 27.0 16.6 40.4 39 39 A A H > S+ 0 0 25 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.894 127.8 50.7 -65.4 -42.1 26.1 18.3 37.2 40 40 A T H > S+ 0 0 0 59,-0.3 4,-1.3 2,-0.2 3,-0.2 0.950 113.0 46.8 -58.3 -47.9 26.2 15.2 35.0 41 41 A D H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.911 108.2 56.2 -61.7 -39.2 23.9 13.5 37.6 42 42 A R H X S+ 0 0 124 -4,-2.5 4,-3.1 1,-0.3 5,-0.3 0.859 100.0 59.8 -63.9 -33.1 21.7 16.5 37.6 43 43 A c H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.920 108.1 45.2 -55.4 -44.6 21.3 16.2 33.8 44 44 A b H X S+ 0 0 8 -4,-1.3 4,-2.0 -3,-0.4 -1,-0.2 0.792 109.9 54.0 -72.2 -31.7 19.8 12.8 34.5 45 45 A Y H X S+ 0 0 31 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.944 111.8 44.8 -62.8 -51.6 17.7 14.1 37.3 46 46 A V H X S+ 0 0 85 -4,-3.1 4,-2.6 1,-0.3 -2,-0.2 0.915 111.2 53.8 -58.3 -39.1 16.2 16.7 35.0 47 47 A H H X S+ 0 0 17 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.3 0.887 109.3 47.8 -67.7 -45.8 15.9 14.1 32.3 48 48 A K H X S+ 0 0 28 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.891 112.1 50.9 -65.0 -30.3 13.8 11.8 34.7 49 49 A d H >< S+ 0 0 28 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.913 106.7 54.2 -66.9 -37.6 11.7 14.8 35.7 50 50 A e H >< S+ 0 0 25 -4,-2.6 3,-1.7 1,-0.3 4,-0.3 0.886 100.0 60.6 -62.8 -38.9 11.1 15.5 32.0 51 51 A Y H >< S+ 0 0 33 -4,-2.1 3,-1.5 1,-0.3 -1,-0.3 0.735 87.1 76.6 -60.7 -21.2 9.9 11.9 31.5 52 52 A K T << S+ 0 0 155 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.695 86.8 59.4 -67.2 -18.7 7.1 12.7 34.0 53 53 A K T < S+ 0 0 108 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.3 0.612 80.8 110.9 -80.9 -15.8 5.2 14.7 31.4 54 54 A L < - 0 0 23 -3,-1.5 2,-0.5 -4,-0.3 27,-0.1 -0.452 43.0-179.5 -68.8 124.3 4.9 11.7 29.0 55 55 A T + 0 0 118 -2,-0.3 26,-0.1 1,-0.1 3,-0.1 -0.994 66.5 4.3-120.6 127.0 1.5 10.3 28.6 56 56 A G S S+ 0 0 83 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.409 109.4 85.1 88.9 -5.4 0.9 7.3 26.3 57 57 A f S S- 0 0 15 24,-0.1 -1,-0.2 5,-0.0 3,-0.0 -0.969 71.0-132.2-130.7 149.6 4.4 6.6 25.4 58 58 A D > - 0 0 67 -2,-0.4 4,-2.1 1,-0.1 -3,-0.0 -0.904 10.1-154.7-100.5 117.5 7.0 4.5 27.2 59 59 A P T 4 S+ 0 0 29 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.746 92.0 45.8 -66.2 -26.2 10.3 6.4 27.4 60 60 A K T 4 S+ 0 0 110 -59,-0.2 -58,-2.5 -58,-0.1 -57,-0.3 0.905 125.6 23.8 -82.8 -42.9 12.3 3.2 27.7 61 61 A K T 4 S+ 0 0 159 -60,-0.2 2,-0.5 -59,-0.1 -1,-0.1 0.747 94.0 95.9 -99.2 -29.6 10.7 1.1 25.0 62 62 A D < - 0 0 56 -4,-2.1 2,-0.0 1,-0.1 -5,-0.0 -0.559 60.8-144.8 -82.7 121.2 9.1 3.4 22.4 63 63 A R + 0 0 141 -2,-0.5 2,-0.3 -60,-0.1 -5,-0.1 -0.307 20.4 179.9 -71.1 156.9 11.1 4.2 19.4 64 64 A Y - 0 0 15 -63,-0.1 2,-0.4 21,-0.1 19,-0.0 -0.955 27.8-102.8-152.0 167.6 10.9 7.6 17.8 65 65 A S + 0 0 81 -2,-0.3 11,-3.0 2,-0.0 2,-0.3 -0.785 45.0 146.9-100.7 133.7 12.5 9.4 14.8 66 66 A Y E -B 75 0B 35 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.962 23.5-154.3-152.9 161.1 15.2 11.9 15.1 67 67 A S E -B 74 0B 38 7,-2.6 7,-3.1 -2,-0.3 2,-0.6 -0.909 21.1-117.9-137.1 167.6 18.1 12.8 12.9 68 68 A W E +B 73 0B 99 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.943 40.3 166.9-108.2 114.9 21.5 14.3 13.2 69 69 A K E > -B 72 0B 114 3,-2.5 3,-1.2 -2,-0.6 -2,-0.1 -1.000 69.2 -6.4-135.2 127.9 21.6 17.5 11.2 70 70 A D T 3 S- 0 0 161 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.899 128.3 -61.6 52.5 41.4 24.4 20.1 11.5 71 71 A K T 3 S+ 0 0 164 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.843 115.7 118.3 49.3 42.3 25.8 18.0 14.4 72 72 A T E < S-B 69 0B 61 -3,-1.2 -3,-2.5 2,-0.0 2,-0.5 -0.966 71.8-116.3-133.3 142.2 22.5 18.7 16.2 73 73 A I E -B 68 0B 0 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.754 32.7-168.6 -78.1 126.5 19.9 16.3 17.4 74 74 A V E -B 67 0B 48 -7,-3.1 -7,-2.6 -2,-0.5 2,-0.1 -0.955 13.4-142.6-124.7 106.3 16.7 17.1 15.5 75 75 A g E -B 66 0B 13 -2,-0.5 -9,-0.3 -9,-0.2 8,-0.1 -0.495 21.7-172.2 -68.9 136.6 13.6 15.4 16.8 76 76 A G + 0 0 38 -11,-3.0 -10,-0.1 -2,-0.1 -1,-0.1 0.839 43.1 66.9 -97.2 -92.7 11.2 14.3 13.9 77 77 A E - 0 0 89 -12,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.214 62.7-135.4 -37.1 146.2 7.7 12.9 14.2 78 78 A N + 0 0 141 4,-0.1 -1,-0.1 5,-0.1 5,-0.1 0.666 59.5 129.0 -86.3 -15.1 4.8 15.0 15.5 79 79 A N > - 0 0 60 1,-0.2 4,-3.0 3,-0.1 5,-0.3 -0.190 61.6-137.1 -40.9 109.4 3.3 12.4 17.8 80 80 A P H > S+ 0 0 101 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.877 95.7 43.4 -50.3 -47.2 3.1 14.6 20.9 81 81 A f H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.938 115.8 47.1 -67.0 -47.4 4.4 12.1 23.4 82 82 A L H > S+ 0 0 21 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.865 112.7 50.2 -64.0 -37.1 7.2 10.8 21.3 83 83 A K H X S+ 0 0 73 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.915 111.5 47.6 -66.9 -44.4 8.3 14.3 20.4 84 84 A E H X S+ 0 0 74 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.906 113.6 49.5 -58.7 -44.2 8.3 15.3 24.1 85 85 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.929 109.7 50.4 -57.4 -53.2 10.2 12.1 24.8 86 86 A g H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.912 111.0 49.4 -54.1 -44.4 12.7 12.8 22.0 87 87 A E H X S+ 0 0 63 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.887 108.3 52.5 -68.2 -33.6 13.2 16.3 23.4 88 88 A e H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.927 113.3 44.8 -61.9 -44.0 13.8 15.1 26.9 89 89 A D H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.897 112.0 51.1 -68.1 -42.0 16.4 12.7 25.5 90 90 A K H X S+ 0 0 42 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.938 109.9 51.8 -59.0 -47.5 18.0 15.4 23.3 91 91 A A H X S+ 0 0 54 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.918 110.0 46.6 -59.6 -41.5 18.2 17.6 26.3 92 92 A V H X S+ 0 0 5 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.920 111.2 52.3 -70.8 -34.4 19.9 15.1 28.5 93 93 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.940 113.4 44.0 -63.6 -45.6 22.4 14.2 25.8 94 94 A I H X S+ 0 0 39 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.942 114.3 50.6 -61.5 -45.1 23.2 17.9 25.4 95 95 A c H X S+ 0 0 31 -4,-2.8 4,-1.2 -5,-0.3 -2,-0.2 0.899 109.0 49.9 -63.6 -41.8 23.4 18.3 29.1 96 96 A L H < S+ 0 0 1 -4,-3.1 3,-0.4 2,-0.2 4,-0.3 0.924 111.8 49.4 -64.9 -38.9 25.7 15.4 29.6 97 97 A R H >< S+ 0 0 97 -4,-2.2 3,-1.9 1,-0.2 4,-0.3 0.960 108.8 52.5 -61.8 -47.8 28.0 16.7 26.9 98 98 A E H 3< S+ 0 0 119 -4,-3.0 3,-0.3 1,-0.3 -1,-0.2 0.740 113.2 45.5 -60.1 -22.6 28.0 20.2 28.5 99 99 A N T >< S+ 0 0 42 -4,-1.2 3,-1.9 -3,-0.4 4,-0.5 0.281 73.8 108.3-111.6 14.3 29.0 18.7 31.8 100 100 A L G X + 0 0 51 -3,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.841 69.3 72.7 -54.3 -31.5 31.7 16.3 30.6 101 101 A G G 3 S+ 0 0 78 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.672 107.4 31.8 -60.8 -22.2 34.1 18.7 32.3 102 102 A T G < S+ 0 0 81 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.306 83.6 137.4-118.8 8.0 33.1 17.6 35.7 103 103 A Y < - 0 0 39 -3,-1.5 2,-0.5 -4,-0.5 3,-0.1 -0.328 38.7-159.2 -53.3 129.7 32.2 14.0 34.9 104 104 A N > - 0 0 57 1,-0.1 3,-2.5 0, 0.0 4,-0.3 -0.947 19.2-153.5-124.1 116.2 33.7 11.9 37.7 105 105 A K G > S+ 0 0 143 -2,-0.5 3,-1.6 1,-0.3 4,-0.3 0.719 91.7 73.7 -55.3 -24.7 34.4 8.2 37.2 106 106 A K G 3 S+ 0 0 147 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.736 97.0 49.4 -63.1 -21.5 33.9 7.7 40.9 107 107 A Y G X S+ 0 0 48 -3,-2.5 -82,-2.9 1,-0.2 3,-1.9 0.473 81.4 102.8 -94.2 -2.7 30.1 8.1 40.4 108 108 A R T < S+ 0 0 43 -3,-1.6 -85,-0.3 1,-0.3 -1,-0.2 0.782 101.6 12.6 -50.7 -43.2 30.0 5.6 37.5 109 109 A Y T 3 S+ 0 0 148 -4,-0.3 -1,-0.3 -3,-0.3 -85,-0.2 -0.346 92.3 178.1-128.7 45.1 28.5 2.8 39.5 110 110 A H < - 0 0 36 -3,-1.9 2,-1.5 -87,-0.5 -3,-0.1 -0.179 43.0-102.7 -51.7 139.3 27.6 4.9 42.4 111 111 A L > - 0 0 111 1,-0.2 3,-2.1 2,-0.1 4,-0.2 -0.539 37.9-167.4 -71.7 95.7 25.8 2.9 45.1 112 112 A K G > S+ 0 0 47 -2,-1.5 3,-1.5 1,-0.3 -1,-0.2 0.703 76.8 70.3 -62.2 -25.5 22.3 4.1 44.4 113 113 A P G 3 S+ 0 0 111 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.756 97.5 52.6 -63.2 -23.4 20.9 2.7 47.6 114 114 A F G < S+ 0 0 150 -3,-2.1 -2,-0.2 2,-0.1 2,-0.1 0.418 83.0 120.4 -94.7 3.6 22.7 5.4 49.5 115 115 A a < - 0 0 27 -3,-1.5 2,-0.2 -4,-0.2 3,-0.1 -0.380 69.6-112.9 -62.9 142.6 21.4 8.2 47.4 116 116 A K - 0 0 125 -81,-0.3 -81,-2.7 1,-0.1 -1,-0.1 -0.531 45.5 -87.7 -76.3 146.7 19.4 10.9 49.3 117 117 A K B -A 34 0A 190 -83,-0.2 -83,-0.2 -2,-0.2 2,-0.1 -0.242 47.6-113.4 -56.4 133.6 15.7 11.0 48.4 118 118 A A - 0 0 11 -85,-0.5 -1,-0.1 -83,-0.1 3,-0.1 -0.451 24.2-120.2 -70.4 142.0 14.9 13.1 45.4 119 119 A D - 0 0 114 1,-0.2 -1,-0.1 -2,-0.1 -86,-0.1 -0.345 45.7 -83.6 -63.6 158.5 12.9 16.3 45.8 120 120 A P 0 0 115 0, 0.0 -1,-0.2 0, 0.0 -71,-0.0 -0.349 360.0 360.0 -60.3 151.5 9.7 16.5 43.9 121 121 A d 0 0 94 -3,-0.1 -75,-0.0 -73,-0.1 -76,-0.0 -0.357 360.0 360.0 -65.5 360.0 10.3 17.6 40.3