==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 31-MAR-04 1SXK . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 VRV-PL-VIIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII RUSSELLII; . AUTHOR N.SINGH,S.BILGRAMI,P.KAUR,S.SHARMA,T.P.SINGH . 121 1 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 71 58.7 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 . 2 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 37.2 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 0.000 360.0 360.0 360.0 154.9 12.5 15.3 -4.9 2 2 A L H > + 0 0 109 58,-2.5 4,-2.3 1,-0.2 5,-0.1 0.876 360.0 52.4 -47.8 -44.3 9.3 17.2 -5.5 3 3 A L H > S+ 0 0 148 57,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.908 110.4 47.6 -63.7 -41.1 7.3 14.1 -4.6 4 4 A E H > S+ 0 0 34 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.903 110.0 52.7 -64.9 -42.5 9.1 13.7 -1.3 5 5 A F H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 108.9 50.9 -57.0 -43.7 8.6 17.4 -0.6 6 6 A G H X S+ 0 0 16 -4,-2.3 4,-2.2 2,-0.2 11,-0.4 0.872 109.5 48.9 -64.1 -38.1 4.9 16.9 -1.2 7 7 A K H X S+ 0 0 117 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.915 111.6 50.3 -66.2 -42.4 4.7 13.9 1.2 8 8 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.893 109.5 51.2 -60.2 -43.0 6.6 16.0 3.8 9 9 A I H X S+ 0 0 4 -4,-2.6 4,-2.9 2,-0.2 6,-0.5 0.929 111.3 47.0 -60.4 -47.1 4.1 18.8 3.3 10 10 A L H X S+ 0 0 74 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.930 112.0 51.0 -62.3 -44.9 1.1 16.5 3.7 11 11 A E H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.898 116.8 40.4 -56.6 -43.6 2.7 15.0 6.9 12 12 A E H < S+ 0 0 39 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.927 131.8 18.8 -74.2 -45.9 3.3 18.4 8.4 13 13 A T H < S- 0 0 19 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.2 0.640 86.4-124.8-107.2 -19.5 0.1 20.2 7.5 14 14 A G S < S+ 0 0 63 -4,-2.6 2,-0.4 -5,-0.4 -4,-0.2 0.415 77.5 115.1 78.1 1.5 -2.6 17.6 6.6 15 16 A K S S- 0 0 56 -6,-0.5 -1,-0.3 -5,-0.1 2,-0.3 -0.822 73.4-115.1-100.6 143.3 -3.0 19.5 3.2 16 17 A L > - 0 0 100 -2,-0.4 4,-2.0 1,-0.1 5,-0.4 -0.578 17.8-133.7 -71.7 133.1 -2.1 17.9 -0.1 17 18 A A H >>S+ 0 0 20 -11,-0.4 4,-2.7 -2,-0.3 5,-0.7 0.907 91.4 72.4 -55.9 -45.8 0.8 19.6 -1.7 18 19 A I H 45S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.2 11,-0.0 -0.980 114.3 6.8-104.2 118.7 -1.2 19.5 -5.0 19 20 A P H 45S+ 0 0 65 0, 0.0 4,-0.5 0, 0.0 -1,-0.2 -0.969 128.5 54.4-101.4 4.0 -3.5 21.5 -4.8 20 21 A S H <5S+ 0 0 15 -4,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.799 126.9 13.3 -70.0 -29.2 -2.9 23.4 -1.6 21 22 A Y T <5S+ 0 0 9 -4,-2.7 -1,-0.2 -5,-0.4 -3,-0.2 0.273 105.4 84.6-129.9 9.4 0.7 24.5 -2.2 22 23 A S S -A 108 0A 0 4,-0.2 4,-1.9 84,-0.2 3,-0.5 -0.664 64.7 -42.8 -93.5 127.8 -0.4 29.4 -4.1 25 26 A G T 4 S- 0 0 9 82,-2.6 85,-0.1 -2,-0.4 90,-0.1 -0.156 100.8 -43.0 60.1-147.0 0.4 33.1 -4.3 26 27 A a T 4 S+ 0 0 12 9,-0.1 7,-0.5 1,-0.1 -1,-0.2 0.668 134.8 28.4 -93.5 -19.2 3.3 34.3 -6.2 27 28 A Y T > S+ 0 0 6 -3,-0.5 4,-1.1 4,-0.1 2,-0.7 0.583 86.8 102.7-122.8 -12.6 6.0 31.8 -5.2 28 29 A b T < S- 0 0 4 -4,-1.9 -4,-0.2 1,-0.2 13,-0.1 -0.661 99.8 -12.8 -85.6 118.7 4.4 28.5 -4.3 29 30 A G T 4 S+ 0 0 50 -2,-0.7 -1,-0.2 -6,-0.2 -6,-0.1 -0.096 145.9 29.4 95.0 -34.8 4.7 25.8 -6.9 30 31 A W T 4 S- 0 0 233 -6,-0.2 -2,-0.2 -2,-0.1 -1,-0.1 0.193 86.2-176.7-147.7 21.1 5.8 28.0 -9.8 31 32 A G < + 0 0 27 -4,-1.1 2,-0.2 1,-0.1 -4,-0.1 0.699 27.0 114.5 5.8-173.6 7.8 31.0 -8.3 32 33 A G + 0 0 40 2,-0.1 87,-0.3 -5,-0.1 2,-0.3 -0.491 62.7 13.4 136.1 -67.0 9.4 34.1 -9.8 33 34 A K S S+ 0 0 88 -7,-0.5 85,-0.2 -2,-0.2 83,-0.1 -0.891 73.5 54.2-145.0 166.8 8.3 37.6 -9.2 34 35 A G S S- 0 0 1 83,-3.7 83,-0.2 -2,-0.3 81,-0.1 -0.092 82.9 -60.7 97.6 165.6 6.2 39.9 -7.0 35 36 A T - 0 0 101 81,-0.3 -9,-0.1 1,-0.1 81,-0.1 -0.801 65.1-106.3 -83.0 124.0 5.8 40.6 -3.3 36 37 A P - 0 0 13 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.228 25.8-133.1 -52.0 142.1 4.8 37.3 -1.6 37 38 A K S S- 0 0 70 70,-0.1 2,-0.3 -13,-0.1 -12,-0.1 0.761 70.6 -23.3 -74.7 -28.7 1.1 37.5 -0.6 38 39 A D S > S- 0 0 20 1,-0.0 4,-2.1 66,-0.0 5,-0.2 -0.901 84.3 -67.9-165.8-173.6 1.3 36.3 3.0 39 40 A A H > S+ 0 0 13 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.884 127.9 52.9 -63.7 -40.2 3.5 34.2 5.3 40 41 A T H > S+ 0 0 0 59,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.932 109.9 48.8 -58.5 -46.3 2.8 30.9 3.5 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 107.1 56.2 -62.5 -36.1 3.8 32.5 0.2 42 43 A R H X S+ 0 0 134 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.852 100.1 59.3 -64.8 -33.1 7.0 33.8 2.0 43 44 A c H X S+ 0 0 4 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.931 109.3 44.0 -55.7 -44.9 7.7 30.2 2.9 44 45 A b H X S+ 0 0 6 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.863 109.9 55.2 -69.4 -37.9 7.7 29.4 -0.8 45 46 A F H X S+ 0 0 22 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.956 112.6 42.5 -57.1 -51.3 9.8 32.5 -1.6 46 47 A V H X S+ 0 0 92 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.887 112.5 53.9 -64.3 -39.0 12.5 31.4 0.9 47 48 A H H X S+ 0 0 15 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.909 108.4 49.8 -62.1 -42.0 12.2 27.8 -0.4 48 49 A D H X S+ 0 0 55 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.920 112.3 47.5 -61.9 -44.6 12.8 29.1 -3.9 49 50 A d H X S+ 0 0 17 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.888 109.1 55.3 -60.2 -40.5 15.8 31.1 -2.7 50 51 A e H >< S+ 0 0 29 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.935 110.3 43.7 -61.4 -47.2 17.0 28.0 -0.8 51 52 A Y H >< S+ 0 0 44 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.861 108.3 60.8 -63.3 -35.0 16.9 25.9 -4.0 52 53 A G H 3< S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.736 92.7 64.7 -65.4 -23.6 18.6 28.9 -5.8 53 54 A N T << S+ 0 0 108 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.605 100.3 57.6 -69.2 -10.7 21.5 28.5 -3.4 54 55 A L X + 0 0 7 -3,-1.9 3,-2.3 -4,-0.2 -1,-0.2 -0.488 57.7 157.9-123.5 61.4 22.1 25.1 -5.1 55 56 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.695 78.6 49.1 -62.1 -22.4 22.5 25.8 -8.8 56 59 A D T 3 S+ 0 0 147 -3,-0.1 2,-0.2 2,-0.0 25,-0.1 0.269 99.7 82.8-108.8 20.3 24.4 22.4 -9.4 57 61 A f < - 0 0 9 -3,-2.3 -3,-0.1 -6,-0.2 25,-0.0 -0.661 69.7-141.9-112.3 168.9 21.7 20.4 -7.5 58 67 A N >> + 0 0 105 -2,-0.2 4,-2.8 1,-0.1 3,-0.9 -0.695 22.7 172.9-132.1 76.0 18.5 19.0 -9.0 59 68 A P T 34 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.673 71.7 65.0 -65.0 -21.1 15.8 19.3 -6.3 60 69 A K T 34 S+ 0 0 169 -59,-0.2 -58,-2.5 1,-0.1 -57,-0.4 0.898 122.9 12.9 -65.8 -37.8 12.9 18.3 -8.4 61 70 A S T <4 S+ 0 0 83 -3,-0.9 2,-0.3 -60,-0.2 -1,-0.1 0.718 96.5 101.4-114.0 -27.9 14.2 14.8 -9.0 62 71 A D < - 0 0 38 -4,-2.8 2,-0.3 1,-0.1 -5,-0.0 -0.472 62.9-141.5 -71.5 127.3 17.1 14.0 -6.5 63 72 A R - 0 0 173 -2,-0.3 2,-0.3 -62,-0.1 19,-0.1 -0.697 19.4-176.2 -93.7 140.4 15.8 11.9 -3.7 64 73 A Y - 0 0 8 -2,-0.3 2,-0.4 -63,-0.1 13,-0.1 -0.823 19.5-126.8-123.7 167.3 16.9 12.3 -0.1 65 74 A K + 0 0 159 11,-0.4 11,-2.6 -2,-0.3 2,-0.3 -0.912 28.7 168.5-114.8 145.1 16.1 10.3 3.1 66 75 A Y E -B 75 0B 35 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.974 12.3-162.2-147.6 160.5 14.7 11.6 6.3 67 76 A K E -B 74 0B 102 7,-2.3 7,-2.8 -2,-0.3 2,-0.4 -0.793 22.8-111.2-132.8 176.6 13.3 10.3 9.5 68 77 A R E -B 73 0B 82 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.945 18.3-172.3-113.2 134.2 11.2 11.6 12.4 69 78 A V E > S-B 72 0B 68 3,-2.5 3,-1.8 -2,-0.4 2,-0.5 -0.967 82.9 -33.5-123.9 110.9 12.6 11.9 16.0 70 79 A N T 3 S- 0 0 155 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.700 125.9 -39.6 66.9-125.0 9.6 12.9 18.1 71 80 A G T 3 S+ 0 0 52 -2,-0.5 -1,-0.3 -3,-0.1 2,-0.2 0.410 116.7 117.3-100.2 -0.2 7.7 14.9 15.5 72 81 A A E < -B 69 0B 49 -3,-1.8 -3,-2.5 1,-0.1 2,-0.4 -0.453 65.2-127.6 -82.2 135.6 10.9 16.4 14.3 73 82 A I E -B 68 0B 5 -5,-0.2 2,-0.5 -2,-0.2 -5,-0.2 -0.626 23.6-171.0 -77.6 130.2 12.3 16.0 10.8 74 83 A V E -B 67 0B 52 -7,-2.8 -7,-2.3 -2,-0.4 2,-0.3 -0.967 16.8-140.3-125.0 112.7 15.9 14.7 10.7 75 84 A g E -B 66 0B 22 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.2 -0.571 19.6-139.7 -71.7 128.8 17.6 14.7 7.3 76 85 A E - 0 0 79 -11,-2.6 -11,-0.4 -2,-0.3 2,-0.3 -0.574 30.7 -87.7 -90.0 156.0 19.7 11.6 6.9 77 86 A K + 0 0 190 -2,-0.2 2,-0.2 -13,-0.1 -1,-0.1 -0.471 63.7 138.3 -74.4 122.4 23.1 11.8 5.2 78 88 A G - 0 0 34 1,-0.5 -14,-0.1 -2,-0.3 2,-0.1 -0.328 64.7 -33.0-123.7-142.4 23.2 11.4 1.4 79 89 A T > - 0 0 70 -2,-0.2 4,-2.5 1,-0.1 -1,-0.5 -0.334 68.8-102.0 -72.1 167.0 25.2 13.3 -1.2 80 90 A S H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.916 124.8 50.6 -59.3 -42.6 25.9 16.9 -0.4 81 91 A f H > S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.931 109.9 50.0 -59.1 -45.9 23.1 18.0 -2.8 82 92 A E H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.910 110.5 49.8 -60.8 -42.6 20.6 15.6 -1.2 83 93 A N H X S+ 0 0 44 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.927 114.2 44.5 -60.9 -45.9 21.5 16.9 2.3 84 94 A R H X S+ 0 0 123 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.887 113.2 50.1 -69.9 -39.9 21.1 20.5 1.2 85 95 A I H X S+ 0 0 0 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.934 109.8 52.1 -61.8 -45.7 17.9 19.9 -0.7 86 96 A g H X S+ 0 0 1 -4,-2.6 4,-3.1 -5,-0.2 5,-0.2 0.916 107.7 51.4 -58.5 -43.1 16.4 18.1 2.3 87 97 A E H X S+ 0 0 96 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.881 109.9 50.1 -63.9 -37.5 17.2 21.0 4.6 88 98 A e H X S+ 0 0 5 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.927 114.3 44.0 -62.1 -46.3 15.5 23.4 2.2 89 99 A D H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.913 111.4 53.0 -67.3 -44.8 12.4 21.1 2.1 90 100 A K H X S+ 0 0 52 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.925 109.9 49.1 -54.1 -48.3 12.3 20.6 5.9 91 101 A A H X S+ 0 0 54 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.920 111.8 48.2 -61.1 -44.8 12.4 24.3 6.5 92 102 A A H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.901 111.1 49.9 -64.6 -41.1 9.6 25.0 4.0 93 103 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.918 113.5 46.0 -64.5 -43.6 7.4 22.2 5.5 94 104 A I H X S+ 0 0 67 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.911 112.0 52.5 -60.9 -43.8 8.0 23.6 9.0 95 105 A c H X S+ 0 0 31 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.905 107.8 50.5 -60.6 -42.5 7.3 27.0 7.7 96 106 A F H >< S+ 0 0 3 -4,-2.7 3,-0.5 1,-0.2 4,-0.3 0.923 111.7 48.7 -61.6 -43.5 4.0 25.9 6.2 97 107 A R H >< S+ 0 0 130 -4,-2.1 3,-1.0 1,-0.2 4,-0.3 0.907 109.2 52.5 -60.8 -43.4 3.0 24.3 9.5 98 108 A Q H 3< S+ 0 0 145 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.713 116.8 39.4 -66.3 -20.6 3.9 27.5 11.4 99 109 A N T XX S+ 0 0 32 -4,-1.1 3,-1.7 -3,-0.5 4,-0.5 0.223 76.8 108.1-118.2 14.6 1.7 29.6 9.1 100 110 A L G X4 S+ 0 0 44 -3,-1.0 3,-1.0 -4,-0.3 -1,-0.1 0.823 71.2 70.2 -58.5 -31.6 -1.3 27.3 8.6 101 111 A N G 34 S+ 0 0 138 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.707 108.4 33.3 -62.3 -21.8 -3.2 29.7 10.8 102 112 A T G <4 S+ 0 0 71 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.328 83.1 131.9-116.3 4.6 -3.1 32.4 8.1 103 113 A Y << - 0 0 26 -3,-1.0 2,-0.4 -4,-0.5 3,-0.0 -0.348 41.3-160.0 -53.0 135.0 -3.3 30.1 5.0 104 114 A S > - 0 0 21 1,-0.1 3,-2.1 0, 0.0 4,-0.2 -0.971 22.6-150.8-129.7 121.3 -5.9 31.6 2.7 105 115 A K G > S+ 0 0 161 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.730 92.2 76.8 -57.5 -23.6 -7.7 29.6 -0.1 106 116 A K G 3 S+ 0 0 143 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.692 89.5 58.5 -62.5 -17.4 -8.1 32.9 -2.0 107 117 A Y G X S+ 0 0 45 -3,-2.1 -82,-2.6 3,-0.1 3,-1.2 0.482 78.4 109.1 -91.9 -3.8 -4.4 32.6 -3.0 108 118 A M B < S+A 24 0A 50 -3,-1.9 -84,-0.2 1,-0.3 -88,-0.1 -0.539 91.6 9.4 -69.1 140.1 -4.8 29.2 -4.7 109 119 A L T 3 S- 0 0 141 -86,-0.7 -1,-0.3 -90,-0.2 -85,-0.2 0.829 91.0-173.3 58.0 35.1 -4.4 29.5 -8.5 110 120 A Y < - 0 0 46 -87,-1.4 -1,-0.2 -3,-1.2 2,-0.1 -0.379 27.1-110.5 -64.5 129.7 -3.3 33.1 -7.9 111 121 A P > - 0 0 61 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.419 15.2-131.3 -70.4 138.3 -2.9 34.8 -11.3 112 122 A D G > S+ 0 0 106 1,-0.3 3,-2.5 2,-0.2 -79,-0.1 0.798 99.2 66.3 -51.9 -40.9 0.6 35.7 -12.5 113 124 A F G 3 S+ 0 0 142 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.724 93.5 61.1 -70.5 -11.7 -0.1 39.3 -13.5 114 125 A L G < S+ 0 0 63 -3,-1.5 2,-0.7 1,-0.1 -1,-0.3 0.409 90.8 79.2 -85.1 4.1 -0.7 40.2 -9.8 115 126 A a < + 0 0 7 -3,-2.5 2,-0.4 -81,-0.1 -81,-0.2 -0.875 64.7 157.6-114.7 95.8 2.9 39.2 -9.1 116 127 A K + 0 0 147 -2,-0.7 -81,-0.3 -83,-0.1 -3,-0.0 -0.914 28.1 33.3-127.0 145.2 5.1 42.0 -10.2 117 128 A G S S- 0 0 46 -2,-0.4 -83,-3.7 -83,-0.2 2,-0.3 0.207 75.3 -85.6 97.9 149.7 8.6 43.1 -9.3 118 129 A E - 0 0 143 -85,-0.2 2,-0.5 -83,-0.0 -85,-0.1 -0.686 32.1-166.3 -91.4 140.5 11.8 41.5 -8.3 119 130 A L - 0 0 62 -2,-0.3 2,-0.1 -87,-0.3 -87,-0.1 -0.985 21.4-131.3-126.5 118.1 12.5 40.6 -4.6 120 131 A K 0 0 186 -2,-0.5 -71,-0.0 1,-0.1 -2,-0.0 -0.395 360.0 360.0 -73.8 139.0 16.1 39.8 -3.9 121 133 A d 0 0 137 -2,-0.1 -1,-0.1 -72,-0.1 -72,-0.0 0.821 360.0 360.0 -66.8 360.0 16.8 36.6 -1.8