==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN 18-SEP-00 1FV0 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII PULCHELLA; . AUTHOR V.CHANDRA,J.JASTI,P.KAUR,A.SRINIVASAN,C.BETZEL,T.P.SINGH . 242 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 152 62.8 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 . 2 0.8 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 . 10 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 0 0 0 0 0 0 0 2 0 2 0 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 0 0, 0.0 4,-2.2 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 175.7 17.2 13.8 40.6 2 2 A L H > + 0 0 47 58,-1.3 4,-2.6 240,-0.8 241,-0.3 0.758 360.0 65.3 -59.5 -23.7 15.1 16.9 40.0 3 3 A L H > S+ 0 0 49 239,-0.8 4,-1.6 57,-0.2 -1,-0.2 0.962 107.4 36.9 -63.6 -52.6 12.8 14.8 38.0 4 4 A E H > S+ 0 0 17 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.903 118.6 50.5 -65.9 -43.3 11.6 12.7 41.0 5 5 A F H X S+ 0 0 19 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.916 109.4 51.0 -62.5 -43.4 11.7 15.7 43.3 6 6 A G H X S+ 0 0 14 -4,-2.6 4,-2.1 -5,-0.2 11,-0.4 0.864 108.9 52.2 -62.4 -35.5 9.7 17.8 40.9 7 7 A K H X S+ 0 0 113 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.925 109.3 48.7 -66.5 -44.8 7.1 15.0 40.7 8 8 A M H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.911 110.2 52.2 -60.4 -44.0 6.8 14.8 44.5 9 9 A I H X>S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.6 0.926 109.9 47.5 -59.8 -46.6 6.3 18.6 44.7 10 10 A L H X5S+ 0 0 76 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.903 114.0 48.1 -62.2 -41.5 3.5 18.6 42.1 11 11 A E H <5S+ 0 0 68 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 119.0 38.4 -66.8 -40.9 1.8 15.7 43.9 12 12 A E H <5S+ 0 0 27 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.867 131.4 23.6 -79.8 -38.2 2.1 17.2 47.3 13 13 A T H <5S- 0 0 18 -4,-3.0 -3,-0.2 2,-0.3 -2,-0.2 0.660 89.7-129.4-103.6 -20.6 1.4 20.9 46.5 14 14 A G S < - 0 0 34 -2,-0.4 4,-1.1 1,-0.2 5,-0.3 -0.562 28.8-131.4 -67.9 127.4 4.5 22.6 39.1 17 18 A A H > S+ 0 0 12 -11,-0.4 4,-3.4 -2,-0.3 5,-0.4 0.896 83.7 84.0 -46.2 -46.2 7.8 22.5 40.9 18 19 A I H 4 S- 0 0 24 1,-0.3 -1,-0.1 2,-0.2 192,-0.1 -0.922 105.8 -0.6-108.1 130.6 9.2 24.9 38.2 19 20 A P H > S+ 0 0 23 0, 0.0 4,-0.6 0, 0.0 3,-0.3 -0.967 124.8 66.7 -96.2 10.0 8.8 27.8 38.4 20 21 A S H < S+ 0 0 20 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.2 0.826 122.7 14.5 -57.3 -36.0 6.8 27.8 41.7 21 22 A Y T < S+ 0 0 12 -4,-3.4 -1,-0.2 -5,-0.3 -3,-0.2 0.282 108.3 82.0-124.9 11.3 9.8 26.6 43.8 22 23 A S T 4 S+ 0 0 25 -5,-0.4 8,-0.3 -3,-0.3 -2,-0.1 0.517 107.3 22.2 -95.2 -5.9 12.8 27.1 41.6 23 24 A S S < S+ 0 0 32 -4,-0.6 87,-2.1 6,-0.1 2,-0.4 0.028 89.7 135.2-146.2 28.2 13.4 30.8 42.2 24 25 A Y B > -A 28 0A 0 4,-0.8 4,-1.8 84,-0.2 3,-0.3 -0.694 68.2 -44.5 -89.8 128.6 11.7 31.2 45.6 25 26 A G T 4 S- 0 0 4 82,-2.5 85,-0.1 -2,-0.4 90,-0.1 -0.086 98.6 -44.8 55.0-148.2 13.3 33.2 48.4 26 27 A a T 4 S+ 0 0 9 9,-0.1 7,-0.8 1,-0.1 -1,-0.2 0.694 134.7 29.5 -92.1 -21.7 17.0 32.7 49.2 27 28 A Y T 4 S+ 0 0 6 -3,-0.3 2,-1.5 5,-0.2 -2,-0.2 0.582 87.7 93.3-117.4 -13.1 17.2 28.9 49.1 28 29 A b B < S+A 24 0A 6 -4,-1.8 -4,-0.8 2,-0.0 2,-0.3 -0.668 92.9 24.1 -86.6 90.0 14.7 27.5 46.7 29 30 A G S S- 0 0 36 -2,-1.5 -6,-0.1 2,-0.3 -7,-0.0 -0.970 120.2 -45.8 153.0-155.8 16.9 27.3 43.6 30 31 A W S S+ 0 0 103 -8,-0.3 -1,-0.1 -2,-0.3 -7,-0.1 0.886 107.3 90.0 -74.8 -39.3 20.6 27.0 43.1 31 32 A G - 0 0 28 -3,-0.1 -2,-0.3 1,-0.1 -5,-0.0 0.120 48.9-177.3 -51.8 169.5 21.5 29.7 45.6 32 33 A G + 0 0 31 83,-0.1 2,-0.3 80,-0.1 87,-0.2 -0.147 37.7 102.3-170.2 62.3 22.2 29.1 49.2 33 34 A K + 0 0 116 -7,-0.8 85,-0.2 85,-0.1 83,-0.1 -0.970 53.3 20.2-147.1 161.9 22.9 32.2 51.3 34 35 A G S S- 0 0 7 83,-3.9 85,-0.1 -2,-0.3 83,-0.1 -0.159 94.3 -35.2 78.8-173.0 21.4 34.6 53.8 35 36 A T - 0 0 111 81,-0.2 -9,-0.1 1,-0.1 -2,-0.1 -0.762 68.5-107.0 -90.3 126.3 18.4 34.3 56.1 36 37 A P - 0 0 15 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 -0.250 24.2-137.0 -52.0 134.9 15.5 32.2 54.8 37 38 A K - 0 0 76 70,-0.1 2,-0.2 1,-0.1 -12,-0.1 0.835 69.2 -29.7 -65.8 -36.5 12.6 34.6 53.8 38 39 A D S > S- 0 0 19 1,-0.1 4,-2.3 66,-0.0 5,-0.2 -0.868 83.4 -60.8-161.6-167.7 9.8 32.4 55.3 39 40 A A H > S+ 0 0 14 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.918 129.3 49.4 -57.3 -47.6 8.6 28.9 56.2 40 41 A T H > S+ 0 0 0 59,-0.2 4,-1.4 1,-0.2 3,-0.3 0.922 111.0 49.6 -59.1 -45.3 8.7 27.8 52.5 41 42 A D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 107.0 55.7 -62.1 -37.8 12.2 29.1 52.1 42 43 A R H X S+ 0 0 133 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.834 99.7 60.5 -64.4 -30.5 13.3 27.3 55.3 43 44 A c H X S+ 0 0 3 -4,-1.6 4,-2.2 -3,-0.3 -1,-0.2 0.921 108.2 44.2 -60.6 -42.3 12.0 24.1 53.7 44 45 A b H X S+ 0 0 7 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.870 110.0 54.8 -70.0 -35.8 14.6 24.6 51.0 45 46 A F H X S+ 0 0 30 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 111.8 44.3 -61.1 -47.9 17.3 25.6 53.5 46 47 A V H X S+ 0 0 90 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.900 110.6 54.9 -62.8 -40.8 16.7 22.3 55.3 47 48 A H H X S+ 0 0 15 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.892 108.1 49.8 -60.1 -39.8 16.6 20.4 52.0 48 49 A D H X S+ 0 0 52 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.895 109.6 50.3 -65.2 -41.3 20.0 21.9 51.1 49 50 A d H X S+ 0 0 17 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.895 109.8 51.6 -63.5 -39.8 21.4 20.8 54.5 50 51 A e H >< S+ 0 0 46 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.948 112.8 44.0 -62.0 -49.3 20.0 17.3 53.9 51 52 A Y H >< S+ 0 0 26 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.884 107.8 60.4 -61.5 -40.4 21.7 17.2 50.4 52 53 A G H 3< S+ 0 0 59 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.684 99.0 57.7 -62.2 -18.8 24.9 18.6 51.9 53 54 A N T << S+ 0 0 121 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.109 91.2 73.6 -98.9 20.2 25.0 15.6 54.3 54 55 A L X + 0 0 12 -3,-1.9 3,-2.0 1,-0.1 -1,-0.2 -0.445 51.7 150.4-126.6 54.6 25.1 13.2 51.3 55 56 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.768 71.0 58.9 -59.1 -27.1 28.7 13.9 50.2 56 59 A D T 3 S+ 0 0 103 -3,-0.1 2,-0.2 2,-0.0 25,-0.1 0.359 105.6 61.8 -85.4 6.5 29.0 10.3 48.9 57 61 A f S < S- 0 0 11 -3,-2.0 -3,-0.1 -6,-0.2 25,-0.0 -0.743 75.4-128.6-127.5 174.6 26.0 10.9 46.5 58 67 A N >> + 0 0 99 -2,-0.2 4,-3.4 1,-0.1 3,-0.8 -0.722 30.4 179.0-123.2 75.5 24.9 12.9 43.6 59 68 A P T 34 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 0.809 76.3 44.8 -47.5 -44.8 21.5 14.3 44.9 60 69 A K T 34 S+ 0 0 83 -59,-0.1 -58,-1.3 1,-0.1 -57,-0.2 0.738 126.0 29.2 -79.1 -20.9 20.5 16.4 41.8 61 70 A S T <4 S+ 0 0 42 -3,-0.8 181,-0.3 -60,-0.2 2,-0.2 0.724 90.5 100.9-110.1 -27.7 21.5 13.8 39.2 62 71 A D < - 0 0 40 -4,-3.4 2,-0.2 1,-0.1 179,-0.0 -0.430 65.0-138.8 -65.3 126.2 21.0 10.3 40.8 63 72 A R + 0 0 115 -2,-0.2 2,-0.3 -60,-0.1 19,-0.1 -0.574 29.3 166.0 -85.3 147.6 17.8 8.7 39.7 64 73 A Y - 0 0 8 -2,-0.2 2,-0.3 -63,-0.1 19,-0.0 -0.946 25.7-125.5-151.6 169.3 15.6 6.8 42.2 65 74 A K + 0 0 169 -2,-0.3 11,-1.1 11,-0.1 2,-0.3 -0.900 23.9 170.0-124.1 153.9 12.1 5.4 42.5 66 75 A Y E -B 75 0B 32 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.953 12.1-156.4-151.8 164.6 9.3 5.8 45.0 67 76 A K E -B 74 0B 89 7,-2.5 7,-3.4 -2,-0.3 2,-0.5 -0.799 19.9-114.8-136.6 178.6 5.7 4.9 45.3 68 77 A R E -B 73 0B 93 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.984 26.4-177.1-125.2 123.9 2.6 6.1 47.2 69 78 A V E > S-B 72 0B 61 3,-2.7 3,-2.0 -2,-0.5 -2,-0.0 -0.983 73.5 -10.0-123.1 127.0 0.9 4.0 49.9 70 79 A N T 3 S- 0 0 164 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.835 130.5 -55.5 56.9 33.7 -2.3 5.1 51.6 71 80 A G T 3 S+ 0 0 60 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.424 117.8 106.7 82.2 -1.3 -1.8 8.5 50.1 72 81 A A E < S-B 69 0B 52 -3,-2.0 -3,-2.7 1,-0.0 -1,-0.2 -0.871 75.5-104.6-115.5 147.2 1.7 9.0 51.5 73 82 A I E -B 68 0B 2 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.427 32.8-167.9 -67.1 133.7 5.1 8.9 49.7 74 83 A V E -B 67 0B 48 -7,-3.4 -7,-2.5 -2,-0.2 2,-0.5 -0.969 17.3-135.4-128.2 115.0 7.1 5.8 50.3 75 84 A g E -B 66 0B 20 -2,-0.5 -9,-0.2 -9,-0.2 8,-0.1 -0.569 24.2-126.6 -73.0 119.8 10.8 5.7 49.3 76 85 A E - 0 0 72 -11,-1.1 2,-1.4 -2,-0.5 10,-0.1 -0.232 26.7-107.1 -59.6 151.9 11.6 2.4 47.5 77 86 A K + 0 0 183 5,-0.0 -1,-0.1 6,-0.0 3,-0.1 -0.655 66.5 135.6 -90.4 91.8 14.5 0.5 48.9 78 88 A G - 0 0 37 -2,-1.4 -14,-0.1 1,-0.4 -1,-0.0 0.181 62.4 -24.8-104.4-138.9 17.2 1.1 46.3 79 89 A T > - 0 0 75 1,-0.1 4,-2.5 -2,-0.0 -1,-0.4 -0.294 69.0-104.9 -71.8 163.8 20.9 2.0 46.9 80 90 A S H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 123.2 48.3 -55.3 -44.9 21.8 3.8 50.1 81 91 A f H > S+ 0 0 22 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.926 110.1 49.7 -62.0 -47.7 22.2 7.0 48.1 82 92 A E H > S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 112.3 48.9 -59.9 -41.0 18.9 6.6 46.3 83 93 A N H X S+ 0 0 17 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.935 114.1 44.5 -64.8 -46.7 17.0 6.0 49.6 84 94 A R H X S+ 0 0 74 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.902 113.5 49.3 -66.3 -41.7 18.6 9.0 51.3 85 95 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.935 111.2 51.4 -62.0 -44.9 18.1 11.4 48.4 86 96 A g H X S+ 0 0 1 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.908 109.3 49.7 -57.9 -44.3 14.5 10.2 48.2 87 97 A E H X S+ 0 0 94 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.864 109.4 51.3 -65.2 -37.1 14.0 10.9 51.9 88 98 A e H X S+ 0 0 5 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.939 114.0 44.7 -63.8 -45.4 15.5 14.4 51.6 89 99 A D H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.911 111.2 53.1 -64.1 -44.0 13.2 15.1 48.8 90 100 A K H X S+ 0 0 52 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.931 108.3 49.7 -57.7 -48.9 10.1 13.6 50.5 91 101 A A H X S+ 0 0 62 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.868 113.3 47.3 -59.9 -37.4 10.6 15.8 53.6 92 102 A A H X S+ 0 0 4 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.914 110.1 50.3 -71.9 -43.9 10.9 18.9 51.5 93 103 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.910 114.5 45.1 -60.7 -41.8 7.9 18.3 49.3 94 104 A I H X S+ 0 0 35 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.908 110.1 54.8 -68.6 -40.4 5.8 17.6 52.4 95 105 A c H X S+ 0 0 30 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.903 106.2 53.9 -58.6 -41.1 7.3 20.7 54.1 96 106 A F H < S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.943 111.8 41.7 -59.4 -51.0 6.2 22.7 51.1 97 107 A R H >< S+ 0 0 106 -4,-1.9 3,-1.2 1,-0.2 4,-0.2 0.864 109.5 57.9 -68.7 -32.7 2.6 21.7 51.3 98 108 A Q H 3< S+ 0 0 130 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.787 114.8 39.9 -65.1 -25.1 2.4 22.0 55.1 99 109 A N T >< S+ 0 0 47 -4,-1.2 3,-1.9 -3,-0.5 -1,-0.3 0.175 77.6 111.7-109.8 15.8 3.4 25.6 54.6 100 110 A L G X + 0 0 52 -3,-1.2 3,-1.2 1,-0.3 -1,-0.2 0.781 67.0 71.4 -61.3 -23.5 1.4 26.5 51.5 101 111 A N G 3 S+ 0 0 163 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.637 106.2 36.7 -70.2 -10.0 -0.8 28.8 53.7 102 112 A T G < S+ 0 0 73 -3,-1.9 2,-0.3 2,-0.0 -1,-0.3 0.231 81.7 131.2-121.0 11.1 2.2 31.3 54.0 103 113 A Y < - 0 0 33 -3,-1.2 2,-0.5 -4,-0.2 3,-0.1 -0.505 45.1-155.4 -64.7 126.4 3.6 30.9 50.4 104 114 A S > - 0 0 41 -2,-0.3 3,-2.1 1,-0.1 4,-0.2 -0.936 20.8-150.3-117.0 123.2 4.0 34.4 49.2 105 115 A K G > S+ 0 0 178 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.774 94.2 71.0 -54.8 -28.9 4.1 35.4 45.5 106 116 A K G 3 S+ 0 0 153 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.693 92.4 56.7 -65.7 -17.8 6.4 38.3 46.3 107 117 A Y G X S+ 0 0 38 -3,-2.1 -82,-2.5 3,-0.1 3,-0.9 0.398 82.4 106.4 -93.9 3.2 9.3 35.8 47.0 108 118 A M T < S+ 0 0 56 -3,-1.8 -84,-0.2 1,-0.3 -88,-0.1 -0.587 87.9 14.6 -79.0 145.3 9.0 34.3 43.6 109 119 A L T 3 S- 0 0 40 -90,-0.3 -1,-0.3 -2,-0.2 -85,-0.2 0.855 91.0-176.5 58.7 35.7 11.8 35.3 41.2 110 120 A Y < - 0 0 35 -87,-2.1 2,-0.3 -3,-0.9 -1,-0.2 -0.494 29.2-112.5 -69.8 126.6 13.7 36.6 44.3 111 121 A P > - 0 0 29 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.423 15.0-142.8 -63.2 121.7 17.0 38.3 43.4 112 122 A D G > S+ 0 0 81 1,-0.3 3,-2.2 -2,-0.3 -80,-0.1 0.814 95.4 69.3 -54.1 -33.9 20.0 36.3 44.6 113 124 A F G 3 S+ 0 0 136 1,-0.3 -1,-0.3 107,-0.2 -3,-0.0 0.720 88.6 63.1 -62.2 -19.9 21.9 39.5 45.5 114 125 A L G < S+ 0 0 88 -3,-1.8 2,-0.6 1,-0.1 -1,-0.3 0.505 92.9 77.4 -80.8 -4.2 19.5 40.2 48.3 115 126 A a < + 0 0 7 -3,-2.2 2,-0.3 -4,-0.2 -81,-0.2 -0.907 61.0 152.1-112.0 108.9 20.7 37.0 50.0 116 127 A K + 0 0 135 -2,-0.6 -81,-0.2 -83,-0.1 -83,-0.1 -0.977 28.5 50.9-138.6 149.8 24.1 37.2 51.7 117 128 A G S S- 0 0 47 -2,-0.3 -83,-3.9 -83,-0.1 2,-0.4 0.250 75.5 -94.0 100.8 135.1 25.9 35.5 54.5 118 129 A E - 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0 0 20 -3,-1.4 -3,-0.1 -6,-0.2 25,-0.0 -0.612 67.5-146.7-112.4 172.5 2.4 21.8 25.1 180 67 B N >> - 0 0 82 -2,-0.2 4,-3.1 1,-0.1 3,-1.1 -0.661 10.7-176.8-142.6 84.1 4.8 23.0 22.4 181 68 B P T 34 S+ 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.800 78.4 67.3 -47.4 -39.6 6.8 26.2 23.4 182 69 B K T 34 S+ 0 0 177 1,-0.2 -58,-0.5 -59,-0.2 -2,-0.0 0.881 124.2 8.2 -52.9 -45.7 8.5 26.4 20.0 183 70 B S T <4 S+ 0 0 76 -3,-1.1 2,-1.2 -60,-0.1 -1,-0.2 0.576 99.9 104.8-114.2 -16.1 5.3 27.3 18.1 184 71 B D < - 0 0 40 -4,-3.1 2,-0.2 19,-0.0 -5,-0.0 -0.563 59.5-162.0 -71.8 98.7 2.8 27.8 20.9 185 72 B R + 0 0 142 -2,-1.2 2,-0.3 -59,-0.0 19,-0.1 -0.551 13.2 176.1 -86.4 149.2 2.5 31.6 20.8 186 73 B Y - 0 0 13 -2,-0.2 2,-0.4 -63,-0.1 19,-0.0 -0.822 25.2-114.5-138.9 176.5 1.1 33.7 23.7 187 74 B K + 0 0 156 -2,-0.3 11,-1.5 11,-0.2 2,-0.3 -0.932 28.5 174.5-120.8 144.5 0.6 37.3 24.6 188 75 B Y E -E 197 0D 24 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.962 6.9-166.7-142.9 157.7 2.2 39.3 27.4 189 76 B K E -E 196 0D 106 7,-2.3 7,-2.9 -2,-0.3 2,-0.5 -0.858 25.7-105.8-139.3 173.4 2.1 42.9 28.4 190 77 B R E +E 195 0D 90 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.923 35.4 173.0-107.2 122.5 3.9 45.4 30.6 191 78 B V E > S-E 194 0D 70 3,-2.7 3,-2.0 -2,-0.5 -2,-0.0 -0.984 73.7 -12.5-133.3 121.2 2.1 46.5 33.8 192 79 B N T 3 S- 0 0 170 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.889 128.8 -57.6 56.9 38.7 3.8 48.7 36.4 193 80 B G T 3 S+ 0 0 61 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.323 117.0 108.2 77.5 -7.0 7.1 47.9 34.6 194 81 B A E < S-E 191 0D 49 -3,-2.0 -3,-2.7 1,-0.0 2,-0.2 -0.752 75.7-103.1-109.0 151.8 6.7 44.2 35.0 195 82 B I E -E 190 0D 2 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.487 34.7-167.3 -69.3 130.5 5.9 41.4 32.6 196 83 B V E -E 189 0D 49 -7,-2.9 -7,-2.3 -2,-0.2 2,-0.7 -0.976 15.1-142.4-124.8 116.9 2.3 40.1 32.8 197 84 B n E -E 188 0D 20 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.697 27.8-128.3 -78.7 114.1 1.4 36.9 31.1 198 85 B E - 0 0 70 -11,-1.5 -11,-0.2 -2,-0.7 2,-0.2 -0.301 31.4 -91.5 -63.8 146.5 -2.1 37.5 29.7 199 86 B K S S+ 0 0 189 1,-0.0 2,-0.2 5,-0.0 -1,-0.1 -0.407 71.8 126.4 -62.4 125.3 -4.8 34.9 30.6 200 88 B G - 0 0 25 1,-0.3 -14,-0.1 -2,-0.2 -1,-0.0 -0.695 59.3 -23.6-153.2-154.4 -5.0 32.2 27.9 201 89 B T > - 0 0 73 -2,-0.2 4,-2.8 1,-0.1 -1,-0.3 -0.225 66.2-106.3 -63.9 159.3 -4.9 28.5 27.6 202 90 B S H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.900 123.2 49.0 -53.0 -42.6 -3.1 26.5 30.3 203 91 B m H > S+ 0 0 28 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.921 109.8 49.4 -64.9 -45.6 -0.2 25.9 27.9 204 92 B E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 113.2 47.5 -60.4 -44.6 0.1 29.6 26.9 205 93 B N H X S+ 0 0 35 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.928 115.3 44.5 -62.1 -47.7 0.1 30.7 30.5 206 94 B R H X S+ 0 0 118 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.874 113.9 48.0 -68.0 -39.0 2.7 28.1 31.6 207 95 B I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.937 112.6 50.4 -67.0 -43.8 5.0 28.6 28.6 208 96 B n H X S+ 0 0 1 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.894 109.2 50.5 -60.8 -40.9 4.8 32.4 29.1 209 97 B E H X S+ 0 0 69 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.874 109.7 51.9 -66.1 -34.9 5.7 32.0 32.8 210 98 B l H X S+ 0 0 4 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.931 112.8 44.3 -63.9 -46.5 8.6 29.9 31.9 211 99 B D H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.913 112.7 52.1 -64.4 -44.2 9.9 32.5 29.5 212 100 B K H X S+ 0 0 38 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.936 109.0 49.6 -57.9 -49.7 9.3 35.3 31.9 213 101 B A H X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.893 113.2 47.2 -58.1 -41.6 11.2 33.5 34.7 214 102 B A H X S+ 0 0 4 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.911 110.3 50.4 -67.8 -44.5 14.2 32.9 32.4 215 103 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.909 114.1 45.3 -61.4 -41.7 14.3 36.5 31.0 216 104 B I H X S+ 0 0 17 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.897 110.5 54.4 -68.7 -39.4 14.3 37.9 34.5 217 105 B j H X S+ 0 0 32 -4,-2.1 4,-0.9 -5,-0.3 -2,-0.2 0.908 106.8 52.0 -60.1 -41.8 16.9 35.4 35.6 218 106 B F H >< S+ 0 0 3 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.955 111.0 47.2 -59.4 -49.6 19.1 36.5 32.7 219 107 B R H >< S+ 0 0 104 -4,-2.0 3,-1.7 1,-0.3 4,-0.2 0.931 108.9 53.3 -57.6 -48.7 18.8 40.2 33.9 220 108 B Q H 3< S+ 0 0 48 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.650 114.9 43.3 -63.3 -14.6 19.5 39.3 37.5 221 109 B N T X< S+ 0 0 17 -3,-1.0 3,-1.7 -4,-0.9 4,-0.4 0.133 73.4 111.9-118.2 20.2 22.7 37.6 36.4 222 110 B L G X + 0 0 61 -3,-1.7 3,-0.5 1,-0.3 -1,-0.1 0.718 67.4 73.5 -65.8 -17.7 24.0 40.1 33.9 223 111 B N G 3 S+ 0 0 134 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.699 107.0 32.6 -69.6 -17.9 26.9 40.8 36.3 224 112 B T G < S+ 0 0 62 -3,-1.7 2,-0.2 2,-0.0 -1,-0.2 0.321 83.4 126.2-119.0 5.3 28.4 37.4 35.5 225 113 B Y < - 0 0 29 -3,-0.5 2,-0.4 -4,-0.4 -3,-0.0 -0.502 42.0-172.1 -64.7 128.0 27.4 37.0 31.8 226 114 B S > - 0 0 35 -2,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.989 36.2-141.3-134.0 134.5 30.7 36.4 30.0 227 115 B K G > S+ 0 0 166 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.684 95.9 82.2 -60.6 -18.2 31.6 36.2 26.3 228 116 B K G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -82,-0.0 -3,-0.0 0.816 91.8 48.8 -56.2 -31.1 33.9 33.3 27.3 229 117 B Y G X S+ 0 0 31 -3,-2.1 -82,-2.6 3,-0.1 3,-0.7 0.396 85.9 108.3 -93.5 3.8 30.8 31.1 27.2 230 118 B M B < S+D 146 0C 41 -3,-1.9 -84,-0.2 1,-0.2 -88,-0.1 -0.564 85.8 15.4 -79.9 147.4 29.5 32.2 23.8 231 119 B L T 3 S- 0 0 146 -86,-0.6 -1,-0.2 -90,-0.2 -85,-0.2 0.911 91.5-174.4 55.5 44.7 29.9 29.7 21.0 232 120 B Y < - 0 0 48 -87,-2.0 -1,-0.2 -3,-0.7 2,-0.1 -0.603 21.6-126.4 -79.0 123.5 30.5 27.0 23.6 233 121 B P > - 0 0 54 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.418 11.7-135.2 -67.7 137.2 31.5 23.5 22.3 234 122 B D G > S+ 0 0 102 1,-0.3 3,-2.4 2,-0.2 -2,-0.0 0.667 95.9 76.2 -72.7 -15.2 29.3 20.6 23.6 235 124 B F G 3 S+ 0 0 130 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.549 90.8 60.1 -71.7 -1.4 32.2 18.3 24.4 236 125 B L G < S+ 0 0 79 -3,-1.3 2,-0.4 1,-0.2 -1,-0.3 0.309 99.0 66.7 -99.8 3.4 32.7 20.5 27.4 237 126 B h < + 0 0 4 -3,-2.4 2,-0.3 -81,-0.1 -1,-0.2 -0.777 69.3 163.1-127.9 85.8 29.2 19.5 28.3 238 127 B K + 0 0 130 -2,-0.4 -81,-0.3 -3,-0.1 -3,-0.0 -0.737 41.7 12.5-106.4 153.5 29.0 15.8 29.3 239 128 B G S S- 0 0 54 -2,-0.3 -83,-1.6 -83,-0.1 2,-0.3 -0.166 75.9 -99.3 79.4-177.0 26.4 13.8 31.1 240 129 B E - 0 0 122 -85,-0.2 2,-0.7 -179,-0.0 -83,-0.1 -1.000 6.4-145.6-149.7 149.3 22.9 14.9 32.0 241 130 B L - 0 0 29 -2,-0.3 -180,-0.1 -85,-0.3 -179,-0.1 -0.895 30.4-142.1-113.5 96.3 20.8 16.3 34.9 242 131 B K 0 0 60 -2,-0.7 -240,-0.8 -181,-0.3 -239,-0.8 -0.323 360.0 360.0 -61.4 137.8 17.4 14.8 34.6 243 133 B k 0 0 29 -241,-0.3 -1,-0.2 -242,-0.1 -182,-0.0 0.328 360.0 360.0-153.0 360.0 14.5 17.2 35.5