==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 28-MAY-04 1TG1 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII RUSSELLII; . AUTHOR N.SINGH,P.KAUR,R.K.SOMVANSHI,S.SHARMA,S.DEY,M.PERBANDT,C.BET . 125 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7321.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 72 57.6 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 5.6 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 . 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 . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 35.2 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 1 0 0 0 0 0 0 0 1 0 1 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 9 0, 0.0 4,-2.7 0, 0.0 60,-0.2 0.000 360.0 360.0 360.0 151.9 12.5 15.4 -4.8 2 2 A L H > + 0 0 22 58,-2.3 4,-2.4 1,-0.2 5,-0.1 0.864 360.0 52.2 -43.1 -43.9 9.3 17.3 -5.4 3 3 A L H > S+ 0 0 113 57,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.902 110.4 46.9 -65.7 -41.1 7.3 14.2 -4.5 4 4 A E H > S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.905 111.1 52.2 -65.8 -42.2 9.1 13.7 -1.2 5 5 A F H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.928 108.6 52.0 -58.4 -44.3 8.6 17.4 -0.4 6 6 A G H X S+ 0 0 15 -4,-2.4 4,-2.2 1,-0.2 11,-0.4 0.893 109.6 47.6 -61.0 -41.5 4.9 16.9 -1.1 7 7 A K H X S+ 0 0 121 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.909 111.6 51.6 -65.7 -40.3 4.7 14.0 1.3 8 8 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.910 109.3 50.2 -61.1 -43.7 6.6 16.0 3.9 9 9 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 6,-0.5 0.920 111.5 47.6 -59.8 -47.0 4.1 18.9 3.4 10 10 A L H X S+ 0 0 74 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.930 112.1 50.2 -62.3 -45.6 1.1 16.6 3.9 11 11 A E H < S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 116.7 41.7 -56.8 -42.4 2.7 15.0 7.0 12 12 A E H < S+ 0 0 41 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.934 131.5 17.5 -74.9 -46.0 3.3 18.4 8.5 13 13 A T H < S- 0 0 20 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.630 86.6-124.2-107.3 -19.7 0.1 20.2 7.7 14 14 A G S < S+ 0 0 63 -4,-2.5 2,-0.4 -5,-0.4 -4,-0.2 0.411 77.7 115.4 80.5 -1.3 -2.6 17.7 6.7 15 16 A K S S- 0 0 48 -6,-0.5 -1,-0.3 -5,-0.1 2,-0.3 -0.817 73.1-116.0 -97.6 142.8 -3.0 19.6 3.4 16 17 A L > - 0 0 102 -2,-0.4 4,-2.0 1,-0.1 5,-0.4 -0.597 17.7-133.9 -72.0 132.3 -2.1 18.0 0.1 17 18 A A H >>S+ 0 0 11 -11,-0.4 4,-2.8 -2,-0.3 5,-0.9 0.912 90.7 73.8 -54.7 -47.6 0.8 19.8 -1.6 18 19 A I H 45S+ 0 0 78 1,-0.2 -1,-0.2 2,-0.2 11,-0.0 -0.968 114.3 5.1-101.6 117.7 -1.2 19.7 -4.8 19 20 A P H 45S+ 0 0 65 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 -0.953 127.9 56.3-104.1 6.8 -3.5 21.7 -4.7 20 21 A S H <5S+ 0 0 16 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.800 126.8 12.6 -69.7 -29.4 -2.9 23.5 -1.4 21 22 A Y T <5S+ 0 0 0 -4,-2.8 3,-0.4 -5,-0.4 -1,-0.2 0.375 105.3 86.3-123.9 4.0 0.6 24.7 -2.1 22 23 A S S -A 108 0A 0 -3,-0.4 4,-2.0 84,-0.2 3,-0.5 -0.646 64.4 -41.8 -92.1 127.7 -0.5 29.5 -4.0 25 26 A G T 4 S- 0 0 9 82,-2.6 85,-0.1 -2,-0.4 90,-0.1 -0.149 100.9 -43.5 60.1-148.7 0.3 33.2 -4.1 26 27 A a T 4 S+ 0 0 9 9,-0.1 7,-0.4 1,-0.1 -1,-0.2 0.653 135.1 28.6 -92.7 -18.6 3.3 34.5 -6.0 27 28 A Y T > S+ 0 0 5 -3,-0.5 4,-1.4 4,-0.2 2,-0.7 0.543 85.0 105.7-121.2 -8.1 5.9 31.9 -5.0 28 29 A b T < S- 0 0 2 -4,-2.0 -4,-0.2 2,-0.2 13,-0.1 -0.684 102.8 -17.6 -94.1 116.9 4.4 28.6 -4.2 29 30 A G T 4 S+ 0 0 3 -2,-0.7 96,-0.6 -6,-0.2 -1,-0.2 0.232 144.6 44.2 83.1 -11.9 4.8 26.0 -6.8 30 31 A W T 4 S- 0 0 164 -6,-0.2 -2,-0.2 94,-0.1 96,-0.2 0.033 81.4-171.9-166.2 27.4 5.8 28.5 -9.5 31 32 A G < + 0 0 10 -4,-1.4 -4,-0.2 1,-0.1 -3,-0.1 0.443 31.5 101.9 30.9 109.3 8.2 31.1 -8.0 32 33 A G + 0 0 57 2,-0.1 2,-0.3 87,-0.1 87,-0.3 -0.416 65.6 4.3-172.2 -44.1 9.4 34.3 -9.6 33 34 A K S S+ 0 0 86 -7,-0.4 85,-0.2 85,-0.1 83,-0.1 -0.910 73.4 60.3-148.1 165.9 8.3 37.8 -9.0 34 35 A G S S- 0 0 1 83,-4.3 83,-0.2 -2,-0.3 81,-0.1 -0.158 82.4 -63.9 101.1 164.7 6.1 40.0 -6.8 35 36 A T - 0 0 102 81,-0.3 -9,-0.1 -2,-0.1 81,-0.1 -0.816 64.2-106.7 -84.2 124.4 5.7 40.7 -3.2 36 37 A P - 0 0 13 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.243 25.6-133.4 -52.6 141.7 4.7 37.5 -1.4 37 38 A K S S- 0 0 70 70,-0.1 2,-0.3 1,-0.1 -12,-0.1 0.749 70.3 -22.7 -74.2 -28.1 1.1 37.7 -0.4 38 39 A D S > S- 0 0 20 1,-0.0 4,-2.0 66,-0.0 5,-0.2 -0.906 84.5 -67.9-166.3-175.5 1.3 36.4 3.1 39 40 A A H > S+ 0 0 13 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.880 127.9 53.0 -61.1 -41.0 3.5 34.4 5.5 40 41 A T H > S+ 0 0 0 59,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.930 109.3 49.4 -59.5 -46.2 2.8 31.1 3.7 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 106.8 56.4 -60.7 -35.5 3.8 32.7 0.4 42 43 A R H X S+ 0 0 134 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.863 99.7 59.3 -65.8 -32.9 7.0 33.9 2.2 43 44 A c H X S+ 0 0 4 -4,-1.8 4,-2.2 -3,-0.2 -1,-0.2 0.928 109.1 44.6 -56.8 -43.9 7.7 30.3 3.1 44 45 A b H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.877 109.6 54.8 -69.4 -38.5 7.8 29.6 -0.7 45 46 A F H X S+ 0 0 24 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.953 112.5 43.0 -57.2 -50.8 9.8 32.7 -1.4 46 47 A V H X S+ 0 0 92 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.895 112.3 53.6 -65.0 -38.4 12.5 31.6 1.0 47 48 A H H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.905 108.1 50.6 -62.6 -42.5 12.3 28.0 -0.2 48 49 A D H X S+ 0 0 32 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.928 111.8 47.5 -59.9 -45.9 12.9 29.2 -3.8 49 50 A d H X S+ 0 0 16 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.882 109.0 55.0 -59.7 -40.4 15.9 31.2 -2.5 50 51 A e H >< S+ 0 0 29 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.934 110.7 43.4 -61.9 -46.7 17.1 28.1 -0.7 51 52 A Y H >< S+ 0 0 30 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.866 108.6 60.7 -64.1 -35.4 17.0 26.0 -3.9 52 53 A G H 3< S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.752 93.1 64.2 -63.9 -26.2 18.6 29.0 -5.6 53 54 A N T << S+ 0 0 110 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.590 100.7 57.2 -67.4 -11.4 21.6 28.6 -3.3 54 55 A L X + 0 0 8 -3,-2.0 3,-2.2 -4,-0.2 -1,-0.2 -0.467 57.6 156.8-124.0 60.4 22.1 25.2 -5.0 55 56 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.672 78.1 50.1 -63.1 -21.2 22.6 25.9 -8.7 56 59 A D T 3 S+ 0 0 148 2,-0.0 2,-0.2 25,-0.0 25,-0.1 0.247 99.9 81.4-107.2 20.3 24.5 22.6 -9.3 57 61 A f S < S- 0 0 9 -3,-2.2 -3,-0.1 -6,-0.2 25,-0.0 -0.685 70.4-141.1-113.6 166.5 21.8 20.5 -7.4 58 67 A N >> + 0 0 105 -2,-0.2 4,-2.7 1,-0.1 3,-0.8 -0.703 22.8 173.4-131.4 77.3 18.5 19.1 -8.9 59 68 A P T 34 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.681 71.8 64.6 -65.0 -21.1 15.9 19.4 -6.1 60 69 A K T 34 S+ 0 0 114 -59,-0.2 -58,-2.3 1,-0.1 -57,-0.4 0.901 122.7 13.3 -68.1 -37.3 12.9 18.4 -8.3 61 70 A S T <4 S+ 0 0 87 -3,-0.8 2,-0.3 -60,-0.2 -1,-0.1 0.717 96.7 100.9-113.2 -26.7 14.3 14.9 -8.9 62 71 A D < - 0 0 37 -4,-2.7 2,-0.3 1,-0.1 -5,-0.0 -0.503 63.0-142.0 -72.0 127.5 17.1 14.1 -6.4 63 72 A R - 0 0 177 -2,-0.3 2,-0.3 -62,-0.0 19,-0.1 -0.726 18.6-175.0 -93.7 138.3 15.9 12.0 -3.5 64 73 A Y - 0 0 7 -2,-0.3 2,-0.4 -63,-0.1 13,-0.1 -0.813 19.6-126.3-121.0 166.2 17.0 12.4 0.1 65 74 A K + 0 0 160 11,-0.4 11,-2.7 -2,-0.3 2,-0.3 -0.911 30.3 166.4-113.8 144.4 16.2 10.4 3.2 66 75 A Y E -B 75 0B 35 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.961 14.4-158.8-147.5 162.6 14.9 11.7 6.4 67 76 A K E -B 74 0B 100 7,-2.2 7,-3.0 -2,-0.3 2,-0.5 -0.861 22.4-113.6-134.8 169.5 13.3 10.4 9.6 68 77 A R E -B 73 0B 82 -2,-0.3 2,-0.7 5,-0.2 5,-0.2 -0.933 13.5-163.8-105.6 128.6 11.1 11.7 12.4 69 78 A V E > S-B 72 0B 80 3,-2.7 3,-1.9 -2,-0.5 -2,-0.0 -0.938 82.4 -47.1-110.5 100.3 12.6 11.9 16.0 70 79 A N T 3 S- 0 0 163 -2,-0.7 2,-0.2 1,-0.3 -1,-0.1 0.853 125.5 -27.8 27.2 64.3 9.2 12.3 17.8 71 80 A G T 3 S+ 0 0 51 1,-0.3 -1,-0.3 0, 0.0 2,-0.1 -0.242 116.6 109.6 107.6 -50.8 7.7 14.9 15.5 72 81 A A E < -B 69 0B 56 -3,-1.9 -3,-2.7 -2,-0.2 2,-0.4 -0.388 66.9-128.1 -75.9 137.4 11.0 16.5 14.4 73 82 A I E -B 68 0B 5 -5,-0.2 2,-0.5 -2,-0.1 -5,-0.2 -0.693 23.9-171.1 -81.8 128.0 12.4 16.1 10.9 74 83 A V E -B 67 0B 53 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.3 -0.956 16.1-141.7-123.8 110.9 16.0 14.8 10.8 75 84 A g E -B 66 0B 22 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.2 -0.559 19.6-140.8 -69.7 128.5 17.7 14.8 7.4 76 85 A E - 0 0 80 -11,-2.7 -11,-0.4 -2,-0.3 2,-0.3 -0.548 30.8 -87.1 -90.4 157.9 19.8 11.7 7.0 77 86 A K + 0 0 196 -2,-0.2 2,-0.2 -13,-0.1 -1,-0.1 -0.489 64.2 137.2 -77.5 120.6 23.2 11.9 5.4 78 88 A G - 0 0 35 1,-0.5 -14,-0.1 -2,-0.3 2,-0.1 -0.347 64.7 -31.5-122.9-141.6 23.3 11.5 1.5 79 89 A T > - 0 0 69 -2,-0.2 4,-2.5 1,-0.1 -1,-0.5 -0.345 68.5-102.4 -72.6 166.5 25.2 13.4 -1.1 80 90 A S H > S+ 0 0 91 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.927 125.0 50.2 -57.1 -45.3 26.0 17.1 -0.3 81 91 A f H > S+ 0 0 33 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.934 109.8 50.1 -58.7 -46.9 23.2 18.1 -2.7 82 92 A E H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 110.3 50.0 -60.7 -42.3 20.7 15.7 -1.0 83 93 A N H X S+ 0 0 45 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.920 114.1 44.3 -61.7 -44.2 21.6 17.0 2.4 84 94 A R H X S+ 0 0 129 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.888 112.9 50.5 -72.6 -39.0 21.1 20.7 1.4 85 95 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.938 109.5 52.2 -60.9 -46.6 17.9 20.0 -0.5 86 96 A g H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.922 107.8 51.3 -57.0 -44.3 16.5 18.2 2.5 87 97 A E H X S+ 0 0 97 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.886 109.8 50.4 -63.4 -36.7 17.3 21.1 4.8 88 98 A e H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.922 114.1 43.7 -63.6 -45.1 15.5 23.5 2.4 89 99 A D H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.911 111.5 53.6 -68.9 -43.8 12.4 21.3 2.3 90 100 A K H X S+ 0 0 52 -4,-3.1 4,-2.4 -5,-0.2 5,-0.2 0.922 109.4 49.1 -54.0 -48.5 12.4 20.7 6.0 91 101 A A H X S+ 0 0 55 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.922 111.9 48.2 -60.1 -45.6 12.5 24.5 6.6 92 102 A A H X S+ 0 0 4 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.912 110.7 50.3 -63.8 -42.3 9.6 25.1 4.2 93 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.919 113.2 46.0 -62.9 -43.8 7.5 22.3 5.7 94 104 A I H X S+ 0 0 67 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.909 112.0 52.6 -61.9 -42.6 8.0 23.7 9.2 95 105 A c H X S+ 0 0 31 -4,-2.6 4,-1.1 -5,-0.2 -2,-0.2 0.917 107.7 50.6 -61.7 -42.9 7.3 27.2 7.9 96 106 A F H >< S+ 0 0 0 -4,-2.8 3,-0.6 1,-0.2 4,-0.3 0.932 111.9 48.3 -60.9 -44.2 4.0 26.0 6.4 97 107 A R H >< S+ 0 0 128 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.902 109.2 52.8 -60.3 -43.4 3.1 24.5 9.7 98 108 A Q H 3< S+ 0 0 145 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.705 116.8 39.4 -66.3 -20.5 4.0 27.7 11.6 99 109 A N T X< S+ 0 0 32 -4,-1.1 3,-1.8 -3,-0.6 4,-0.4 0.222 76.5 107.3-118.4 13.9 1.8 29.7 9.3 100 110 A L G X S+ 0 0 42 -3,-1.0 3,-1.1 -4,-0.3 -1,-0.1 0.815 71.6 71.3 -57.7 -30.5 -1.3 27.5 8.8 101 111 A N G 3 S+ 0 0 135 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.642 108.1 32.1 -64.3 -17.2 -3.1 29.9 11.0 102 112 A T G < S+ 0 0 64 -3,-1.8 -1,-0.3 2,-0.0 -2,-0.2 0.313 83.2 133.4-120.0 6.5 -3.1 32.5 8.3 103 113 A Y < - 0 0 26 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.0 -0.356 40.1-160.6 -57.8 134.6 -3.3 30.3 5.2 104 114 A S > - 0 0 41 1,-0.1 3,-2.1 0, 0.0 4,-0.2 -0.970 22.0-151.1-128.4 121.4 -6.0 31.7 2.9 105 115 A K G > S+ 0 0 151 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.736 91.9 76.6 -58.9 -22.7 -7.7 29.7 0.1 106 116 A K G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -82,-0.0 -81,-0.0 0.672 88.9 59.0 -64.5 -14.9 -8.2 33.0 -1.9 107 117 A Y G X S+ 0 0 38 -3,-2.1 -82,-2.6 3,-0.1 3,-1.1 0.465 78.7 108.7 -93.4 -2.3 -4.4 32.8 -2.8 108 118 A M B < S+A 24 0A 52 -3,-1.9 -84,-0.2 1,-0.3 -88,-0.1 -0.551 90.9 10.3 -70.7 139.9 -4.8 29.4 -4.5 109 119 A L T 3 S- 0 0 140 -86,-0.7 -1,-0.3 -2,-0.2 -85,-0.2 0.841 90.8-173.5 58.7 35.6 -4.5 29.7 -8.3 110 120 A Y < - 0 0 44 -87,-1.4 -1,-0.2 -3,-1.1 2,-0.1 -0.404 26.8-110.8 -64.7 129.0 -3.3 33.3 -7.8 111 121 A P > - 0 0 59 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.402 14.5-131.3 -68.2 136.8 -3.0 35.0 -11.2 112 122 A D G > S+ 0 0 113 1,-0.3 3,-2.5 2,-0.2 -79,-0.1 0.795 100.3 66.5 -50.7 -41.6 0.5 35.8 -12.4 113 124 A F G 3 S+ 0 0 139 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.729 94.2 60.3 -66.9 -14.4 -0.2 39.5 -13.4 114 125 A L G < S+ 0 0 58 -3,-1.6 2,-0.6 1,-0.1 -1,-0.3 0.378 92.4 77.0 -85.8 3.4 -0.8 40.3 -9.7 115 126 A a < + 0 0 7 -3,-2.5 2,-0.4 -81,-0.1 -81,-0.2 -0.886 64.2 154.6-117.7 97.4 2.8 39.3 -9.0 116 127 A K + 0 0 138 -2,-0.6 -81,-0.3 -83,-0.1 -3,-0.0 -0.960 30.1 38.0-129.5 141.7 5.1 42.0 -10.1 117 128 A G S S- 0 0 39 -2,-0.4 -83,-4.3 -83,-0.2 2,-0.4 0.113 73.5 -94.5 103.3 145.7 8.6 43.1 -9.1 118 129 A E - 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