==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-AUG-12 4GLD . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 VRV-PL-VIIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII PULCHELLA; . AUTHOR P.K.SHUKLA,M.SINHA,S.DEY,P.KAUR,S.SHARMA,T.P.SINGH . 126 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7236.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 62.7 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 . 9 7.1 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 0.8 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 . 6 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 35.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 2 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 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 10 0, 0.0 4,-2.9 0, 0.0 60,-0.3 0.000 360.0 360.0 360.0 158.5 -10.9 13.5 -5.0 2 2 A L H > + 0 0 20 58,-3.0 4,-2.5 2,-0.2 5,-0.1 0.907 360.0 45.6 -57.8 -45.7 -9.2 16.8 -5.7 3 3 A L H > S+ 0 0 113 57,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.904 113.8 49.6 -66.7 -43.4 -12.3 18.9 -4.7 4 4 A E H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 110.4 49.7 -57.0 -46.3 -12.8 16.9 -1.6 5 5 A F H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.919 108.8 55.2 -62.5 -39.9 -9.0 17.3 -0.7 6 6 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 11,-0.4 0.877 108.6 46.2 -58.7 -42.3 -9.4 21.1 -1.3 7 7 A K H X S+ 0 0 107 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.905 110.1 53.1 -68.8 -39.4 -12.3 21.3 1.1 8 8 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.925 110.3 48.9 -57.9 -45.4 -10.4 19.3 3.7 9 9 A I H X>S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.5 0.929 112.5 47.3 -60.0 -47.6 -7.4 21.8 3.3 10 10 A L H X5S+ 0 0 55 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.935 113.1 47.8 -60.9 -47.7 -9.7 24.8 3.7 11 11 A E H <5S+ 0 0 108 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.869 118.7 43.0 -60.1 -35.0 -11.5 23.2 6.8 12 12 A E H <5S+ 0 0 39 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.934 132.0 15.0 -77.8 -48.9 -8.0 22.4 8.2 13 13 A T H <5S- 0 0 20 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.631 87.4-124.9-105.6 -22.2 -6.1 25.6 7.5 14 14 A G S < - 0 0 56 -2,-0.4 4,-1.8 1,-0.1 5,-0.4 -0.607 20.6-133.6 -76.3 137.4 -8.3 28.1 0.0 17 18 A A H >>S+ 0 0 0 -11,-0.4 4,-3.2 -2,-0.3 5,-0.9 0.914 88.8 72.4 -62.2 -42.7 -6.4 25.2 -1.6 18 19 A I H 45S+ 0 0 45 1,-0.3 -1,-0.2 2,-0.2 106,-0.2 -0.955 113.1 9.1-101.5 118.2 -6.4 27.1 -4.9 19 20 A P H >5S+ 0 0 59 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 -0.949 128.7 55.7-105.8 1.9 -4.5 29.5 -4.8 20 21 A S H <5S+ 0 0 13 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.815 127.5 9.4 -70.3 -33.7 -2.7 28.8 -1.5 21 22 A Y T <5S+ 0 0 0 -4,-3.2 3,-0.5 -5,-0.4 -1,-0.2 0.274 106.9 86.2-123.6 -0.0 -1.5 25.2 -2.1 22 23 A S T 4 -AB 28 108A 0 4,-1.0 4,-1.9 -3,-0.5 3,-0.5 -0.830 64.0 -38.4-110.8 133.4 3.3 26.4 -4.1 25 26 A G T 4 S- 0 0 8 82,-2.8 85,-0.1 -2,-0.4 90,-0.1 -0.101 101.1 -44.7 61.7-152.2 6.9 25.7 -4.1 26 27 A a T 4 S+ 0 0 4 9,-0.1 7,-0.5 1,-0.1 -1,-0.2 0.657 135.2 26.8 -88.1 -19.0 8.3 22.8 -6.1 27 28 A Y T 4 S+ 0 0 6 -3,-0.5 2,-1.1 5,-0.1 -2,-0.2 0.517 85.4 104.3-124.3 -14.9 5.8 20.1 -5.2 28 29 A b B < S-A 24 0A 2 -4,-1.9 -4,-1.0 1,-0.2 99,-0.1 -0.679 105.0 -20.5 -85.8 108.4 2.5 21.7 -4.3 29 30 A G S S+ 0 0 25 -2,-1.1 2,-0.3 98,-0.5 -1,-0.2 0.052 132.7 22.4 90.1 -24.9 0.1 21.2 -7.1 30 31 A W S S+ 0 0 222 -6,-0.2 -6,-0.0 1,-0.1 2,-0.0 -0.945 85.7 56.9-161.8 158.8 2.5 20.6 -10.0 31 32 A G - 0 0 28 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 0.189 41.4-147.3 94.4 151.8 6.0 19.4 -10.4 32 33 A G + 0 0 46 83,-0.1 2,-0.3 16,-0.0 87,-0.2 0.007 66.0 70.5-137.1 24.9 8.1 16.5 -9.6 33 34 A K + 0 0 56 -7,-0.5 85,-0.2 85,-0.1 83,-0.1 -0.950 61.0 37.2-146.8 164.9 11.6 17.8 -9.1 34 35 A G S S- 0 0 2 83,-3.7 83,-0.1 -2,-0.3 85,-0.1 -0.080 84.5 -51.2 90.8 175.0 13.9 19.7 -7.0 35 36 A T - 0 0 105 81,-0.3 -9,-0.1 1,-0.1 81,-0.1 -0.761 64.5-106.8 -86.4 130.1 14.5 20.2 -3.3 36 37 A P - 0 0 12 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.221 25.5-137.5 -56.9 140.5 11.3 21.2 -1.4 37 38 A K - 0 0 73 1,-0.1 2,-0.3 70,-0.1 -12,-0.1 0.741 69.8 -18.5 -75.9 -25.7 11.5 24.9 -0.6 38 39 A D S > S- 0 0 19 1,-0.1 4,-2.3 69,-0.0 5,-0.2 -0.934 83.5 -72.2-165.4-177.3 10.1 24.6 3.0 39 40 A A H > S+ 0 0 14 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.893 127.6 52.6 -64.4 -40.8 8.1 22.5 5.4 40 41 A T H > S+ 0 0 0 59,-0.2 4,-1.7 2,-0.2 3,-0.2 0.946 110.7 48.5 -57.0 -46.1 4.8 23.2 3.5 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 107.3 55.8 -63.3 -38.1 6.4 22.1 0.3 42 43 A R H X S+ 0 0 132 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.848 101.1 57.8 -61.1 -35.7 7.7 19.1 2.0 43 44 A c H X S+ 0 0 2 -4,-1.8 4,-2.1 -3,-0.2 -1,-0.2 0.916 109.1 45.5 -59.8 -43.2 4.2 18.3 2.9 44 45 A b H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.880 109.7 54.0 -68.9 -36.6 3.4 18.3 -0.8 45 46 A F H X S+ 0 0 23 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.956 112.1 45.0 -57.0 -49.9 6.4 16.2 -1.7 46 47 A V H X S+ 0 0 89 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.900 112.4 50.9 -62.7 -39.0 5.3 13.6 0.8 47 48 A H H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.898 108.9 51.3 -66.8 -37.7 1.7 13.7 -0.4 48 49 A D H X S+ 0 0 52 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.925 111.9 47.2 -63.1 -41.6 3.0 13.3 -4.0 49 50 A d H X S+ 0 0 15 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.895 109.8 55.4 -65.8 -38.1 5.0 10.2 -2.8 50 51 A e H >< S+ 0 0 30 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.940 110.8 42.1 -59.9 -45.5 1.8 9.1 -1.0 51 52 A Y H >< S+ 0 0 44 -4,-2.5 3,-2.0 1,-0.2 -1,-0.2 0.832 109.5 60.4 -66.4 -38.1 -0.2 9.2 -4.2 52 53 A G H 3< S+ 0 0 56 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.732 94.3 63.0 -62.5 -25.5 2.8 7.6 -6.0 53 54 A N T << S+ 0 0 109 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.479 101.1 57.2 -68.6 -11.0 2.5 4.6 -3.6 54 55 A L X + 0 0 7 -3,-2.0 3,-2.0 1,-0.1 -1,-0.2 -0.556 58.3 156.9-125.3 58.5 -1.1 4.0 -5.3 55 56 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.743 76.9 50.7 -65.5 -17.1 -0.4 3.7 -9.0 56 59 A D T 3 S+ 0 0 147 -3,-0.1 2,-0.3 2,-0.0 25,-0.1 0.192 100.6 80.3-107.7 19.2 -3.7 1.7 -9.5 57 61 A f S < S- 0 0 11 -3,-2.0 -3,-0.1 -6,-0.2 25,-0.0 -0.792 71.0-140.3-115.2 171.7 -5.8 4.4 -7.7 58 67 A N >> + 0 0 106 -2,-0.3 4,-2.6 1,-0.1 3,-0.9 -0.727 21.2 174.7-134.3 78.9 -7.1 7.7 -9.0 59 68 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.752 74.3 62.5 -66.6 -23.8 -6.8 10.3 -6.3 60 69 A K T 34 S+ 0 0 133 -59,-0.2 -58,-3.0 1,-0.1 -57,-0.4 0.891 122.3 15.4 -65.4 -37.4 -8.0 13.2 -8.4 61 70 A S T <4 S+ 0 0 86 -3,-0.9 2,-0.5 -60,-0.3 -1,-0.1 0.636 97.0 99.4-114.0 -21.5 -11.4 11.8 -9.1 62 71 A D < - 0 0 36 -4,-2.6 2,-0.4 1,-0.0 -5,-0.0 -0.606 62.5-144.7 -79.9 124.6 -12.1 9.0 -6.6 63 72 A R - 0 0 177 -2,-0.5 2,-0.3 -62,-0.1 19,-0.1 -0.682 15.4-169.2 -90.2 129.0 -14.2 10.3 -3.7 64 73 A Y - 0 0 2 -2,-0.4 2,-0.4 18,-0.1 13,-0.1 -0.783 19.3-122.6-107.3 166.3 -13.6 8.9 -0.2 65 74 A K + 0 0 126 11,-0.4 11,-3.0 -2,-0.3 2,-0.3 -0.891 36.2 161.9-106.0 136.5 -15.8 9.4 2.9 66 75 A Y E -C 75 0B 39 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.977 19.1-152.4-144.4 164.6 -14.4 10.9 6.0 67 76 A K E -C 74 0B 101 7,-2.6 7,-3.0 -2,-0.3 2,-0.5 -0.874 17.9-124.0-130.4 163.4 -15.8 12.5 9.2 68 77 A R E -C 73 0B 73 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.931 17.2-163.5-104.7 129.0 -14.6 15.0 11.7 69 78 A V E > S-C 72 0B 67 3,-2.5 3,-2.1 -2,-0.5 2,-0.4 -0.929 76.2 -50.6-115.6 99.7 -14.7 13.7 15.2 70 79 A N T 3 S- 0 0 156 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.594 124.6 -28.5 50.9-123.4 -14.4 16.9 17.1 71 80 A G T 3 S+ 0 0 53 -2,-0.4 -1,-0.3 -3,-0.2 0, 0.0 0.680 114.9 110.3 -81.8 -15.7 -11.5 18.1 15.1 72 81 A A E < -C 69 0B 53 -3,-2.1 -3,-2.5 -4,-0.1 2,-0.6 -0.284 65.5-133.2 -69.2 138.7 -10.0 14.7 14.2 73 82 A I E -C 68 0B 4 -5,-0.2 2,-0.5 17,-0.1 -5,-0.2 -0.826 25.3-172.9 -89.3 123.0 -10.1 13.6 10.6 74 83 A V E -C 67 0B 53 -7,-3.0 -7,-2.6 -2,-0.6 2,-0.3 -0.965 17.1-141.4-121.0 114.4 -11.3 10.0 10.5 75 84 A g E -C 66 0B 22 -2,-0.5 -9,-0.3 -9,-0.2 2,-0.2 -0.611 20.7-139.9 -71.7 132.9 -11.2 8.2 7.1 76 85 A E - 0 0 73 -11,-3.0 -11,-0.4 -2,-0.3 2,-0.3 -0.544 29.9 -89.2 -96.3 159.8 -14.3 6.0 6.8 77 86 A K + 0 0 192 -2,-0.2 2,-0.2 -13,-0.1 -1,-0.1 -0.469 66.2 135.3 -78.6 119.4 -14.1 2.6 5.3 78 88 A G - 0 0 36 1,-0.5 -14,-0.1 -2,-0.3 -1,-0.1 -0.420 66.1 -30.7-123.6-139.7 -14.7 2.6 1.4 79 89 A T > - 0 0 73 -2,-0.2 4,-2.6 1,-0.1 -1,-0.5 -0.344 68.1-103.5 -72.5 166.4 -12.7 0.8 -1.2 80 90 A S H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.940 123.9 50.9 -59.7 -40.3 -9.0 0.1 -0.5 81 91 A f H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.927 110.1 48.8 -61.7 -45.5 -8.0 2.9 -2.9 82 92 A E H > S+ 0 0 41 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.931 111.8 49.7 -61.1 -40.9 -10.4 5.4 -1.2 83 93 A N H X S+ 0 0 39 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.926 115.1 43.4 -60.6 -46.0 -9.0 4.4 2.2 84 94 A R H X S+ 0 0 134 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.876 114.1 49.1 -68.4 -43.1 -5.5 4.9 1.1 85 95 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 -5,-0.3 5,-0.2 0.949 110.5 52.6 -62.4 -42.5 -6.2 8.1 -0.8 86 96 A g H X S+ 0 0 0 -4,-3.0 4,-3.4 -5,-0.3 5,-0.2 0.924 107.6 50.5 -58.4 -45.6 -8.0 9.5 2.3 87 97 A E H X S+ 0 0 98 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.882 110.3 51.3 -66.1 -36.4 -5.0 8.7 4.6 88 98 A e H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.916 114.4 41.8 -58.3 -47.9 -2.7 10.5 2.1 89 99 A D H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.917 112.4 53.6 -70.5 -41.7 -4.9 13.6 2.0 90 100 A K H X S+ 0 0 53 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.911 110.2 49.2 -54.4 -48.7 -5.6 13.6 5.8 91 101 A A H X S+ 0 0 54 -4,-2.1 4,-3.1 -5,-0.2 -1,-0.2 0.926 111.7 48.1 -61.4 -45.5 -1.8 13.5 6.4 92 102 A A H X S+ 0 0 4 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.937 111.4 50.0 -64.1 -40.1 -1.2 16.4 3.9 93 103 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.920 114.4 44.5 -64.6 -43.5 -4.0 18.5 5.5 94 104 A I H X S+ 0 0 70 -4,-2.6 4,-3.0 -5,-0.2 -1,-0.2 0.928 113.1 51.8 -62.5 -44.5 -2.5 17.9 9.0 95 105 A c H X S+ 0 0 34 -4,-3.1 4,-1.2 -5,-0.2 -2,-0.2 0.922 109.6 49.4 -59.7 -44.5 1.0 18.6 7.6 96 106 A F H >< S+ 0 0 0 -4,-3.0 3,-0.7 1,-0.2 4,-0.3 0.946 111.9 48.5 -61.2 -41.0 -0.2 21.9 6.2 97 107 A R H >< S+ 0 0 130 -4,-2.4 3,-1.1 1,-0.3 4,-0.3 0.914 109.3 52.6 -64.4 -42.3 -1.8 22.9 9.5 98 108 A Q H 3< S+ 0 0 144 -4,-3.0 -1,-0.3 1,-0.2 3,-0.2 0.724 116.3 40.6 -64.8 -20.7 1.4 22.0 11.4 99 109 A N T XX S+ 0 0 30 -4,-1.2 3,-1.8 -3,-0.7 4,-0.6 0.250 75.9 105.6-117.6 15.6 3.4 24.2 9.1 100 110 A L G X4 S+ 0 0 46 -3,-1.1 3,-0.6 -4,-0.3 -1,-0.1 0.797 73.4 70.6 -62.5 -27.0 1.2 27.2 8.6 101 111 A N G 34 S+ 0 0 135 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.685 110.5 29.5 -64.7 -16.9 3.6 29.0 11.0 102 112 A T G <4 S+ 0 0 68 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.362 85.2 130.3-123.5 5.4 6.2 28.9 8.2 103 113 A Y << - 0 0 27 -4,-0.6 2,-0.5 -3,-0.6 3,-0.0 -0.361 41.8-161.1 -54.5 135.4 4.0 29.1 5.1 104 114 A S > - 0 0 35 1,-0.1 3,-2.4 -2,-0.0 4,-0.2 -0.960 23.7-150.0-131.5 127.6 5.3 31.8 2.9 105 115 A K G > S+ 0 0 150 -2,-0.5 3,-1.9 1,-0.3 -1,-0.1 0.742 92.6 77.1 -60.7 -24.1 3.4 33.6 0.1 106 116 A K G 3 S+ 0 0 150 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.697 90.2 55.8 -60.0 -18.4 6.7 34.1 -1.7 107 117 A Y G X S+ 0 0 37 -3,-2.4 -82,-2.8 3,-0.1 3,-1.0 0.392 79.6 109.0 -96.0 0.9 6.6 30.4 -2.8 108 118 A M B < S+B 24 0A 50 -3,-1.9 -84,-0.2 1,-0.3 -88,-0.1 -0.600 90.5 12.3 -73.7 147.5 3.1 30.7 -4.4 109 119 A L T 3 S- 0 0 142 -86,-2.1 -1,-0.3 -2,-0.2 -85,-0.2 0.867 90.1-176.9 51.8 41.0 3.5 30.5 -8.2 110 120 A Y < - 0 0 47 -87,-1.1 -1,-0.2 -3,-1.0 2,-0.2 -0.461 27.8-111.6 -72.6 136.3 7.0 29.4 -7.7 111 121 A P > - 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-0.1 -0.477 12.7-129.2 -80.1 147.1 8.7 28.9 -11.1 112 122 A D G > S+ 0 0 85 1,-0.3 3,-2.3 -2,-0.2 -2,-0.1 0.781 100.0 66.5 -58.8 -39.7 9.6 25.5 -12.4 113 124 A F G 3 S+ 0 0 131 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.733 93.8 62.1 -68.9 -14.8 13.3 26.3 -13.3 114 125 A L G < S+ 0 0 81 -3,-1.5 2,-0.6 1,-0.1 -1,-0.3 0.434 92.5 74.9 -83.0 7.6 14.1 26.8 -9.6 115 126 A a < + 0 0 4 -3,-2.3 2,-0.4 -81,-0.1 -81,-0.2 -0.919 64.7 156.2-123.1 104.5 13.2 23.2 -9.0 116 127 A K + 0 0 128 -2,-0.6 -81,-0.3 -83,-0.1 -3,-0.0 -0.959 30.0 37.3-135.0 143.0 15.9 20.8 -10.2 117 128 A G S S- 0 0 49 -2,-0.4 -83,-3.7 -83,-0.1 2,-0.4 0.091 77.2 -91.9 101.9 144.5 17.1 17.3 -9.4 118 129 A E - 0 0 171 -85,-0.2 2,-0.4 -83,-0.0 -85,-0.1 -0.814 33.8-163.3 -88.4 137.0 15.1 14.1 -8.5 119 130 A L - 0 0 78 -2,-0.4 2,-0.2 -87,-0.2 -2,-0.0 -0.984 23.9-125.9-114.8 129.7 14.6 13.6 -4.7 120 131 A K 0 0 188 -2,-0.4 -71,-0.0 1,-0.1 -2,-0.0 -0.572 360.0 360.0 -84.4 143.0 13.6 10.0 -4.0 121 133 A d 0 0 136 -2,-0.2 -1,-0.1 -72,-0.1 -72,-0.0 0.794 360.0 360.0 -68.0 360.0 10.4 9.3 -2.0 122 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 123 1 B F 0 0 160 0, 0.0 -117,-0.0 0, 0.0 -116,-0.0 0.000 360.0 360.0 360.0 168.9 -10.8 27.5 -4.8 124 2 B L + 0 0 36 -106,-0.2 -117,-0.2 -118,-0.1 -118,-0.1 0.947 360.0 96.3 50.1 45.7 -10.1 24.5 -2.8 125 3 B A S S+ 0 0 7 -119,-0.2 -119,-0.1 -120,-0.1 -1,-0.1 0.347 75.3 55.0 -91.6 -83.0 -10.0 21.8 -5.4 126 4 B Y 0 0 111 1,-0.2 -104,-0.1 -2,-0.1 -108,-0.1 0.807 360.0 360.0 -73.1-154.3 -6.4 21.6 -6.2 127 5 B K 0 0 15 -105,-0.3 -98,-0.5 -98,-0.1 -1,-0.2 -0.652 360.0 360.0 72.3 360.0 -3.0 21.0 -4.6