==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-NOV-04 1Y38 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 VRV-PL-VIIIA; . SOURCE 2 ORGANISM_SCIENTIFIC: DABOIA RUSSELLII PULCHELLA; . AUTHOR N.SINGH,T.JABEEN,S.SHARMA,T.P.SINGH . 242 2 14 14 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 63.2 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 . 14 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 . 1 0.4 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 . 12 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 34.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 3 1 0 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 . 2 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 4 0, 0.0 4,-2.3 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 160.2 21.1 39.4 29.5 2 2 A L H 3> + 0 0 24 58,-1.6 4,-3.3 1,-0.3 5,-0.3 0.764 360.0 66.3 -52.7 -28.0 20.2 35.7 29.0 3 3 A L H 3> S+ 0 0 54 57,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.936 108.2 36.3 -61.1 -48.2 23.5 35.3 27.2 4 4 A E H <> S+ 0 0 18 -3,-0.9 4,-0.9 2,-0.2 -2,-0.2 0.918 118.8 51.1 -70.6 -43.9 25.4 36.0 30.5 5 5 A F H X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.926 111.2 48.3 -59.8 -45.3 22.9 34.2 32.6 6 6 A G H X S+ 0 0 18 -4,-3.3 4,-1.4 1,-0.2 11,-0.5 0.920 114.0 42.6 -63.5 -47.4 22.9 31.1 30.4 7 7 A K H X S+ 0 0 108 -4,-1.8 4,-0.8 -5,-0.3 -1,-0.2 0.614 110.2 60.7 -77.1 -7.4 26.6 30.6 30.2 8 8 A M H X S+ 0 0 0 -4,-0.9 4,-1.7 -3,-0.3 -2,-0.2 0.886 103.1 50.4 -80.6 -41.2 26.8 31.4 33.9 9 9 A I H X>S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.6 0.837 108.3 51.7 -63.1 -37.4 24.6 28.4 34.6 10 10 A L H X5S+ 0 0 73 -4,-1.4 4,-0.7 3,-0.2 -1,-0.2 0.807 107.9 52.3 -72.0 -30.1 26.8 26.1 32.6 11 11 A E H <5S+ 0 0 73 -4,-0.8 -2,-0.2 -3,-0.1 -1,-0.2 0.883 119.0 35.6 -72.2 -38.8 29.9 27.2 34.5 12 12 A E H <5S+ 0 0 25 -4,-1.7 -2,-0.2 3,-0.1 -3,-0.2 0.881 133.2 22.1 -82.5 -42.5 28.3 26.5 37.8 13 13 A T H <5S- 0 0 19 -4,-2.9 -3,-0.2 2,-0.3 -2,-0.1 0.769 87.8-128.9 -99.8 -30.2 26.2 23.4 37.1 14 14 A G S <> - 0 0 101 -2,-0.3 4,-1.0 1,-0.1 5,-0.5 -0.723 23.2-126.5 -86.8 128.8 23.2 23.9 29.5 17 18 A A H >>S+ 0 0 26 -11,-0.5 4,-3.0 -2,-0.5 5,-0.9 0.898 96.4 69.5 -37.2 -61.4 20.5 26.5 30.4 18 19 A I H 45S+ 0 0 30 3,-0.2 2,-0.3 2,-0.2 -2,-0.1 -0.699 111.6 9.8 -83.6 132.1 18.3 25.2 27.6 19 20 A P H 45S+ 0 0 51 0, 0.0 4,-0.4 0, 0.0 90,-0.2 -0.887 129.9 55.0 106.3 -37.2 16.8 21.7 28.1 20 21 A S H <5S+ 0 0 16 -4,-1.0 -2,-0.2 -2,-0.3 -3,-0.2 0.886 130.0 5.8 -59.5 -43.5 18.0 21.6 31.8 21 22 A Y T >< - 0 0 1 -3,-0.7 4,-1.6 84,-0.2 3,-0.3 -0.579 67.2 -40.7 -79.2 132.7 11.8 23.0 34.9 25 26 A G T 4 S- 0 0 2 82,-2.2 85,-0.1 -2,-0.3 90,-0.1 -0.075 102.2 -43.2 52.8-143.9 8.9 23.0 37.4 26 27 A a T 4 S+ 0 0 4 1,-0.1 7,-0.5 9,-0.1 6,-0.4 0.689 134.9 28.9 -95.9 -22.6 6.6 26.0 37.7 27 28 A Y T >> S+ 0 0 7 -3,-0.3 3,-0.8 4,-0.2 2,-0.6 0.611 90.7 95.0-115.1 -15.0 9.0 28.9 37.7 28 29 A b T 3< S+ 0 0 6 -4,-1.6 13,-0.1 1,-0.2 17,-0.0 -0.665 91.7 26.9 -82.0 117.5 12.1 27.9 35.6 29 30 A G T 34 S- 0 0 30 -2,-0.6 -1,-0.2 -6,-0.2 -7,-0.1 0.729 137.7 -61.9 98.8 28.6 11.7 29.1 31.8 30 31 A W T <4 S+ 0 0 72 -3,-0.8 2,-0.2 1,-0.1 -2,-0.2 0.993 83.4 140.8 41.8 106.0 9.5 32.0 33.0 31 32 A G < - 0 0 21 -4,-0.6 -4,-0.2 3,-0.0 -1,-0.1 -0.473 29.8-163.3-130.7-163.7 6.3 31.2 34.7 32 33 A G + 0 0 25 -6,-0.4 2,-0.3 1,-0.2 87,-0.2 0.352 54.9 81.1-175.8 6.0 4.7 32.9 37.5 33 34 A K + 0 0 139 -7,-0.5 -1,-0.2 85,-0.1 85,-0.2 -0.886 64.4 31.7-128.7 161.3 2.1 30.7 39.0 34 35 A G S S- 0 0 2 83,-3.5 85,-0.4 -2,-0.3 81,-0.1 -0.241 86.9 -58.2 95.9 176.5 1.9 27.8 41.4 35 36 A T - 0 0 101 81,-0.1 -9,-0.1 -2,-0.1 7,-0.1 -0.903 65.2-102.2-102.0 113.7 3.8 26.5 44.4 36 37 A P - 0 0 17 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 0.024 28.1-142.5 -34.5 130.5 7.5 25.9 43.6 37 38 A K - 0 0 78 70,-0.1 2,-0.2 2,-0.0 -12,-0.0 0.925 66.0 -21.3 -69.0 -49.0 8.0 22.1 43.1 38 39 A D S > S- 0 0 21 1,-0.0 4,-1.7 69,-0.0 5,-0.1 -0.636 82.6 -68.8-142.2-159.5 11.4 21.7 44.7 39 40 A A H > S+ 0 0 14 2,-0.2 4,-1.4 -2,-0.2 3,-0.1 0.952 127.9 48.0 -67.6 -52.0 14.6 23.5 45.6 40 41 A T H >> S+ 0 0 0 59,-0.3 4,-1.2 1,-0.3 3,-0.8 0.936 113.2 50.1 -53.5 -47.0 15.8 24.2 42.1 41 42 A D H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.850 103.1 59.8 -60.9 -36.1 12.4 25.4 41.3 42 43 A R H 3X S+ 0 0 133 -4,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.821 102.6 54.8 -63.6 -28.2 12.4 27.7 44.4 43 44 A c H X S+ 0 0 28 -4,-1.9 4,-1.8 2,-0.2 3,-0.5 0.969 111.9 42.8 -58.9 -60.3 11.1 31.7 41.8 46 47 A V H 3X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.858 111.7 56.3 -56.4 -38.0 13.4 33.9 43.8 47 48 A H H 3X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -1,-0.3 0.855 106.6 50.5 -63.7 -34.5 15.2 34.8 40.6 48 49 A D H < S+ 0 0 41 -4,-1.8 3,-1.2 -5,-0.2 -2,-0.2 0.923 109.3 45.4 -70.5 -47.0 14.7 39.5 41.9 51 52 A Y H >< S+ 0 0 20 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.876 106.3 62.9 -64.0 -36.3 14.1 40.6 38.3 52 53 A G T 3< S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.597 93.8 62.1 -65.6 -12.6 10.8 42.0 39.4 53 54 A N T < S+ 0 0 119 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.1 -0.024 87.2 75.9-103.4 28.7 12.5 44.5 41.7 54 55 A L X + 0 0 12 -3,-1.2 3,-1.8 3,-0.1 -1,-0.2 -0.486 49.2 154.7-134.9 59.6 14.3 46.2 38.8 55 56 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.803 75.4 54.0 -58.1 -32.4 11.5 48.3 37.2 56 59 A D T 3 S+ 0 0 103 -3,-0.1 2,-0.2 2,-0.0 25,-0.1 0.429 104.7 72.9 -84.1 0.2 14.0 50.7 35.8 57 61 A f S < S- 0 0 10 -3,-1.8 -3,-0.1 -6,-0.2 23,-0.0 -0.740 71.6-135.5-119.8 164.9 16.0 48.0 34.1 58 67 A N >> + 0 0 114 -2,-0.2 4,-2.7 1,-0.1 3,-1.5 -0.641 31.2 174.3-116.3 70.3 15.8 45.6 31.1 59 68 A P T 34 S+ 0 0 16 0, 0.0 -1,-0.1 0, 0.0 -8,-0.0 0.729 73.0 51.7 -44.5 -42.4 17.0 42.3 32.9 60 69 A K T 34 S+ 0 0 83 -59,-0.1 -58,-1.6 1,-0.1 182,-0.4 0.697 123.7 24.9 -76.9 -18.1 16.5 39.9 30.0 61 70 A S T <4 S+ 0 0 39 -3,-1.5 2,-0.2 -60,-0.2 -1,-0.1 0.749 86.8 100.5-119.1 -32.6 18.4 42.0 27.5 62 71 A D < - 0 0 50 -4,-2.7 2,-0.5 1,-0.1 -5,-0.0 -0.413 65.5-134.5 -63.1 126.8 21.1 44.3 29.0 63 72 A R - 0 0 136 -2,-0.2 2,-0.3 -60,-0.1 19,-0.1 -0.708 26.7-175.5 -84.8 127.3 24.6 42.8 28.6 64 73 A Y - 0 0 8 -2,-0.5 2,-0.4 -63,-0.1 13,-0.1 -0.795 20.6-121.9-117.9 164.7 26.7 43.1 31.8 65 74 A K + 0 0 161 -2,-0.3 11,-1.6 11,-0.2 2,-0.3 -0.860 33.6 164.1-109.3 139.2 30.3 42.1 32.5 66 75 A Y E -A 75 0A 27 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.993 14.7-161.8-152.0 151.4 31.4 39.6 35.1 67 76 A K E -A 74 0A 90 7,-2.7 7,-3.2 -2,-0.3 2,-0.6 -0.857 22.7-117.9-130.5 165.7 34.6 37.6 35.9 68 77 A R E -A 73 0A 88 -2,-0.3 2,-0.6 5,-0.2 3,-0.3 -0.925 25.3-166.6-109.8 116.0 35.4 34.5 38.0 69 78 A V E > S-A 72 0A 73 3,-2.9 3,-1.7 -2,-0.6 -2,-0.0 -0.903 75.5 -22.2-105.0 115.8 37.9 35.2 40.9 70 79 A N T 3 S- 0 0 170 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.933 131.7 -47.5 51.0 48.5 39.4 32.1 42.4 71 80 A G T 3 S+ 0 0 57 -3,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.535 117.4 116.3 72.8 7.5 36.4 30.2 41.1 72 81 A A E < -A 69 0A 51 -3,-1.7 -3,-2.9 2,-0.0 2,-0.3 -0.881 69.0-115.3-112.8 141.3 33.9 32.7 42.4 73 82 A I E -A 68 0A 3 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.552 33.3-173.2 -72.9 129.4 31.5 34.8 40.3 74 83 A V E -A 67 0A 47 -7,-3.2 -7,-2.7 -2,-0.3 2,-0.6 -0.982 19.2-137.7-129.5 121.1 32.3 38.5 40.6 75 84 A g E -A 66 0A 6 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.1 -0.679 21.7-138.4 -80.4 117.5 30.0 41.1 39.0 76 85 A E - 0 0 73 -11,-1.6 2,-0.3 -2,-0.6 -11,-0.2 -0.281 31.0 -92.9 -68.3 160.1 32.1 43.8 37.4 77 86 A K + 0 0 177 -13,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.599 65.9 130.9 -81.9 135.4 31.0 47.4 37.8 78 88 A G - 0 0 39 1,-0.5 -14,-0.1 -2,-0.3 -1,-0.1 -0.447 62.8 -23.2-147.2-137.4 28.8 48.9 35.2 79 89 A T > - 0 0 74 -2,-0.2 4,-1.9 1,-0.1 -1,-0.5 -0.270 68.4-101.1 -78.8 171.5 25.5 50.7 35.4 80 90 A S H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.927 125.5 48.1 -57.4 -42.5 23.3 50.5 38.4 81 91 A f H > S+ 0 0 20 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.964 107.0 51.4 -62.3 -57.6 21.2 48.1 36.3 82 92 A E H > S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.828 112.8 49.4 -50.9 -35.6 23.9 45.8 35.0 83 93 A N H X S+ 0 0 34 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.908 112.6 43.5 -73.1 -43.8 25.1 45.3 38.6 84 94 A R H X S+ 0 0 80 -4,-1.9 4,-1.5 -5,-0.2 -2,-0.2 0.871 115.7 49.6 -69.9 -37.3 21.8 44.5 40.1 85 95 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.942 109.2 51.9 -64.4 -50.2 20.9 42.2 37.3 86 96 A g H X S+ 0 0 1 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.897 108.4 51.0 -54.2 -44.6 24.2 40.4 37.5 87 97 A E H X S+ 0 0 88 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.858 108.5 52.3 -64.1 -35.6 23.7 39.8 41.2 88 98 A e H X S+ 0 0 4 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.952 113.1 44.4 -63.6 -47.1 20.3 38.3 40.5 89 99 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.867 112.0 52.5 -64.0 -40.0 21.8 36.0 38.0 90 100 A K H X S+ 0 0 53 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.917 108.8 49.7 -63.9 -43.3 24.7 35.0 40.2 91 101 A A H X S+ 0 0 60 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.891 112.9 46.8 -63.4 -40.8 22.4 34.1 43.1 92 102 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.931 113.5 47.6 -67.8 -45.9 20.2 31.9 40.9 93 103 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.949 111.9 48.8 -59.8 -53.1 23.1 30.1 39.3 94 104 A I H X S+ 0 0 33 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.894 111.2 51.5 -56.4 -41.3 24.9 29.5 42.5 95 105 A c H X S+ 0 0 12 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.938 102.6 59.2 -60.6 -48.1 21.7 28.1 44.0 96 106 A F H >< S+ 0 0 4 -4,-2.5 3,-0.7 1,-0.2 -1,-0.2 0.917 108.5 45.9 -45.5 -49.2 21.2 25.8 41.0 97 107 A R H >< S+ 0 0 107 -4,-1.9 3,-2.5 1,-0.2 4,-0.4 0.956 106.3 57.5 -59.7 -52.6 24.6 24.2 41.9 98 108 A Q H 3< S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.721 115.1 39.1 -52.4 -23.1 23.8 23.9 45.6 99 109 A N T X< S+ 0 0 41 -4,-1.5 3,-1.8 -3,-0.7 -1,-0.3 0.174 77.5 112.5-116.6 19.3 20.7 21.9 44.7 100 110 A L G X S+ 0 0 51 -3,-2.5 3,-2.5 1,-0.3 -1,-0.1 0.893 70.2 66.1 -56.3 -41.8 22.0 19.8 41.9 101 111 A N G 3 S+ 0 0 142 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.464 105.5 44.0 -62.8 -0.6 21.7 16.6 44.0 102 112 A T G < S+ 0 0 63 -3,-1.8 -1,-0.3 2,-0.0 2,-0.2 0.280 79.3 130.7-122.6 3.6 17.9 17.1 44.0 103 113 A Y < - 0 0 30 -3,-2.5 2,-0.5 -4,-0.2 3,-0.1 -0.440 42.4-161.9 -61.3 123.3 17.6 17.9 40.3 104 114 A S > - 0 0 32 -2,-0.2 3,-2.6 1,-0.1 4,-0.3 -0.947 26.6-156.0-118.2 120.7 14.8 15.7 39.0 105 115 A K G > S+ 0 0 142 -2,-0.5 3,-2.3 1,-0.3 -1,-0.1 0.834 93.5 80.4 -56.8 -28.8 14.2 14.9 35.3 106 116 A K G 3 S+ 0 0 145 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.674 94.8 44.3 -50.6 -20.0 10.7 14.3 36.6 107 117 A Y G X S+ 0 0 38 -3,-2.6 -82,-2.2 3,-0.1 3,-1.0 0.431 83.2 109.1-109.4 -1.9 10.2 18.0 36.5 108 118 A M T < S+ 0 0 37 -3,-2.3 -84,-0.2 -4,-0.3 -88,-0.1 -0.522 91.5 13.5 -71.5 145.7 11.7 18.9 33.2 109 119 A L T 3 S- 0 0 36 -90,-0.2 -1,-0.3 1,-0.2 -85,-0.2 0.890 92.4-177.4 54.7 40.5 9.0 20.0 30.7 110 120 A Y < - 0 0 32 -87,-1.5 2,-0.6 -3,-1.0 -1,-0.2 -0.525 36.5-101.9 -73.5 132.6 6.6 20.2 33.6 111 121 A P > - 0 0 38 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.396 24.3-156.0 -59.4 104.0 3.0 21.1 32.6 112 122 A D G > S+ 0 0 66 -2,-0.6 3,-1.9 1,-0.3 109,-0.1 0.823 90.2 73.9 -48.7 -30.7 2.7 24.8 33.5 113 124 A F G 3 S+ 0 0 112 1,-0.3 -1,-0.3 107,-0.3 108,-0.0 0.877 84.2 61.0 -50.7 -47.0 -1.0 23.9 33.6 114 125 A L G < S+ 0 0 96 -3,-1.7 2,-0.7 2,-0.0 -1,-0.3 0.605 87.0 89.2 -61.1 -11.4 -0.6 22.1 37.0 115 126 A a < + 0 0 11 -3,-1.9 2,-0.4 -4,-0.4 -81,-0.2 -0.801 57.9 174.1 -93.3 115.8 0.6 25.3 38.6 116 127 A K + 0 0 156 -2,-0.7 -81,-0.1 -83,-0.1 -2,-0.0 -0.973 34.3 24.1-128.0 135.4 -2.3 27.3 40.0 117 128 A G S S- 0 0 48 -2,-0.4 -83,-3.5 -83,-0.1 2,-0.6 0.075 72.8 -91.9 99.7 150.7 -2.3 30.5 42.1 118 129 A E - 0 0 159 -85,-0.2 2,-0.2 -83,-0.0 -85,-0.1 -0.893 31.4-153.0-108.0 115.5 -0.0 33.5 42.7 119 130 A L - 0 0 76 -2,-0.6 2,-0.2 -85,-0.4 -2,-0.0 -0.547 26.9-111.2 -80.3 144.6 2.4 33.3 45.6 120 131 A K 0 0 186 -2,-0.2 -1,-0.1 1,-0.1 0, 0.0 -0.549 360.0 360.0 -73.3 145.1 3.5 36.6 47.2 121 133 A d 0 0 128 -2,-0.2 -1,-0.1 -72,-0.1 -3,-0.0 -0.548 360.0 360.0 -73.2 360.0 7.1 37.3 46.5 122 !* 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 S >> 0 0 6 0, 0.0 4,-2.1 0, 0.0 3,-1.9 0.000 360.0 360.0 360.0 162.2 14.8 17.7 9.7 124 2 B L H 3> + 0 0 77 58,-1.9 4,-2.6 1,-0.3 5,-0.2 0.700 360.0 67.2 -55.6 -21.6 11.6 19.7 9.5 125 3 B L H 3> S+ 0 0 122 57,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.849 107.2 38.6 -69.9 -32.2 9.9 16.6 8.0 126 4 B E H <> S+ 0 0 17 -3,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.885 115.5 52.9 -80.9 -42.8 10.4 14.8 11.3 127 5 B F H X S+ 0 0 23 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.902 109.1 49.7 -59.3 -41.5 9.6 17.8 13.4 128 6 B G H X S+ 0 0 19 -4,-2.6 4,-2.2 1,-0.2 11,-0.3 0.842 108.3 54.1 -67.1 -32.5 6.4 18.4 11.5 129 7 B K H X S+ 0 0 118 -4,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.941 108.0 47.9 -66.9 -47.1 5.5 14.7 12.1 130 8 B M H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.909 110.7 53.7 -59.0 -43.6 5.9 15.0 15.9 131 9 B I H X>S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 5,-0.8 0.935 109.6 45.6 -57.3 -49.9 3.8 18.2 15.8 132 10 B L H X5S+ 0 0 79 -4,-2.2 4,-0.8 3,-0.2 -1,-0.2 0.843 116.5 48.0 -63.1 -33.9 0.9 16.5 14.0 133 11 B E H <5S+ 0 0 74 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.948 118.1 37.1 -70.9 -51.6 1.2 13.5 16.3 134 12 B E H <5S+ 0 0 22 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.803 134.7 20.9 -73.3 -32.5 1.3 15.4 19.6 135 13 B T H <5S- 0 0 18 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.734 87.3-132.6-109.4 -29.3 -1.1 18.2 18.8 136 14 B G S < - 0 0 108 -2,-0.3 5,-0.7 1,-0.2 4,-0.3 -0.619 19.1-131.1 -82.5 133.3 -0.5 20.8 11.0 139 18 B A T >5S+ 0 0 32 -2,-0.3 4,-1.7 -11,-0.3 5,-0.2 0.938 98.3 72.8 -44.3 -50.0 2.9 22.3 11.4 140 19 B I T 45S+ 0 0 115 2,-0.2 2,-0.3 3,-0.1 -2,-0.1 -0.847 112.4 0.9 -95.8 131.8 1.7 24.5 8.6 141 20 B P T >>5S+ 0 0 72 0, 0.0 3,-1.6 0, 0.0 4,-1.0 -0.975 128.6 56.9 -77.8 -55.4 -0.9 27.0 9.5 142 21 B S T 345S+ 0 0 19 -4,-0.3 -3,-0.2 -2,-0.3 -2,-0.2 0.734 125.9 15.2 -32.8 -44.7 -1.2 26.2 13.2 143 22 B Y T 3< S-BC 150 230B 0 4,-1.2 4,-1.4 84,-0.2 3,-0.5 -0.939 70.9 -42.2-116.3 124.8 1.6 32.1 15.4 147 26 B G T 4 S- 0 0 14 82,-3.0 85,-0.2 -2,-0.5 90,-0.1 -0.219 98.3 -45.3 63.0-147.9 2.7 34.9 17.7 148 27 B h T 4 S+ 0 0 11 9,-0.1 7,-1.5 88,-0.1 6,-0.4 0.569 132.8 25.0 -98.3 -11.8 6.2 36.5 17.5 149 28 B Y T 4 S+ 0 0 13 -3,-0.5 2,-1.4 5,-0.2 -2,-0.2 0.693 81.9 100.2-127.2 -25.6 8.2 33.3 17.3 150 29 B i B < S+B 146 0B 7 -4,-1.4 -4,-1.2 2,-0.1 2,-0.4 -0.516 94.9 13.1 -70.7 98.7 6.5 30.3 15.8 151 30 B G S S- 0 0 25 -2,-1.4 -6,-0.1 -6,-0.2 -7,-0.1 -0.994 112.2 -53.5 144.0-132.5 7.9 30.5 12.4 152 31 B W S S+ 0 0 197 -2,-0.4 -1,-0.1 -8,-0.4 -7,-0.1 0.660 105.9 79.7-122.3 -26.8 10.7 32.5 10.8 153 32 B G - 0 0 71 -3,-0.1 -4,-0.1 2,-0.0 -5,-0.1 0.947 65.5-176.1 -47.8 -61.5 10.2 36.2 11.7 154 33 B G + 0 0 29 -6,-0.4 2,-0.3 1,-0.2 -5,-0.2 0.975 22.8 129.9 61.4 69.1 11.6 35.8 15.2 155 34 B K + 0 0 142 -7,-1.5 -1,-0.2 85,-0.1 2,-0.2 -0.999 43.8 6.4-150.7 150.9 11.3 39.2 17.0 156 35 B G S S- 0 0 4 83,-0.5 81,-0.1 -2,-0.3 83,-0.1 -0.477 94.7 -30.2 87.5-154.0 10.0 40.7 20.2 157 36 B T - 0 0 63 -2,-0.2 81,-0.2 83,-0.0 -9,-0.1 -0.924 67.0-102.4-112.1 128.6 8.7 39.1 23.4 158 37 B P - 0 0 17 0, 0.0 3,-0.1 0, 0.0 -11,-0.1 -0.103 27.5-151.1 -43.8 140.4 6.8 35.8 23.3 159 38 B K - 0 0 58 1,-0.2 2,-0.3 70,-0.1 -12,-0.1 0.692 62.7 -14.6 -93.3 -21.9 3.1 36.4 23.6 160 39 B D S > S- 0 0 17 1,-0.1 4,-2.5 69,-0.0 5,-0.2 -0.955 84.2 -66.8-164.9-178.0 2.0 33.2 25.4 161 40 B A H > S+ 0 0 14 -2,-0.3 4,-1.8 1,-0.2 -1,-0.1 0.902 129.0 43.7 -47.0 -53.3 2.8 29.6 26.4 162 41 B T H > S+ 0 0 0 59,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.884 111.6 54.0 -63.8 -39.2 2.8 28.3 22.8 163 42 B D H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.873 108.4 50.3 -64.5 -34.4 4.8 31.3 21.6 164 43 B R H X S+ 0 0 99 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.872 99.8 63.6 -70.4 -36.5 7.4 30.6 24.2 165 44 B j H X S+ 0 0 5 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.850 109.3 41.6 -53.6 -35.0 7.6 27.0 23.2 166 45 B i H X S+ 0 0 8 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.688 110.1 56.1 -87.1 -23.2 8.9 28.2 19.8 167 46 B F H X S+ 0 0 14 -4,-1.2 4,-0.7 2,-0.2 -2,-0.2 0.932 110.3 45.1 -71.1 -47.2 11.2 30.9 21.3 168 47 B V H X S+ 0 0 35 -4,-2.9 4,-1.6 1,-0.2 3,-0.3 0.869 109.4 60.6 -62.7 -35.2 12.9 28.2 23.3 169 48 B H H X S+ 0 0 18 -4,-1.0 4,-1.8 -5,-0.3 3,-0.3 0.948 107.2 38.3 -64.4 -52.6 13.0 26.0 20.3 170 49 B D H < S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.568 113.0 60.4 -78.3 1.5 15.1 28.3 17.8 171 50 B k H < S+ 0 0 3 -4,-0.7 4,-0.4 -3,-0.3 3,-0.3 0.811 105.4 47.7 -81.9 -35.6 17.2 29.2 20.9 172 51 B l H >< S+ 0 0 12 -4,-1.6 3,-1.1 -3,-0.3 -2,-0.2 0.872 107.9 54.2 -67.3 -39.1 17.9 25.4 21.0 173 52 B Y G >< S+ 0 0 44 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.649 100.7 63.1 -70.8 -16.2 18.7 25.5 17.3 174 53 B G G 3 S+ 0 0 43 -3,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.626 92.6 60.5 -83.1 -14.8 21.2 28.2 18.1 175 54 B N G < S+ 0 0 77 -3,-1.1 -1,-0.2 -4,-0.4 3,-0.2 0.412 95.2 70.0 -89.8 0.6 23.3 26.0 20.3 176 55 B L X + 0 0 10 -3,-0.6 3,-1.6 1,-0.2 -1,-0.2 -0.437 51.0 145.1-115.3 56.6 23.9 23.7 17.3 177 56 B P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.883 72.2 58.1 -60.6 -37.9 26.2 25.8 15.0 178 59 B D T 3 S+ 0 0 108 -3,-0.2 2,-0.2 2,-0.0 25,-0.1 0.353 107.4 55.2 -75.9 7.5 28.0 22.7 13.8 179 61 B m S < S- 0 0 16 -3,-1.6 -3,-0.1 -6,-0.2 25,-0.0 -0.724 72.9-133.2-128.8 178.6 24.8 21.2 12.5 180 67 B N >> - 0 0 96 -2,-0.2 4,-2.0 1,-0.1 3,-1.2 -0.661 18.6-177.3-141.4 83.8 21.9 22.1 10.1 181 68 B P T 34 S+ 0 0 14 0, 0.0 -57,-0.1 0, 0.0 -1,-0.1 0.681 73.3 71.0 -47.4 -35.5 18.5 21.3 11.8 182 69 B K T 34 S+ 0 0 164 -59,-0.2 -58,-1.9 1,-0.1 -57,-0.3 0.887 119.1 7.1 -58.1 -40.4 16.4 22.3 8.8 183 70 B S T <4 S+ 0 0 66 -3,-1.2 2,-0.3 -60,-0.2 -1,-0.1 0.743 90.4 105.3-120.4 -27.2 17.4 19.3 6.7 184 71 B D < - 0 0 48 -4,-2.0 2,-0.4 1,-0.1 -5,-0.0 -0.435 65.1-136.6 -61.1 122.4 19.5 16.6 8.4 185 72 B R + 0 0 147 -2,-0.3 2,-0.2 -60,-0.0 19,-0.1 -0.678 25.8 179.0 -90.2 133.3 17.1 13.7 9.0 186 73 B Y - 0 0 7 -2,-0.4 2,-0.4 -63,-0.1 13,-0.1 -0.699 21.7-122.8-120.0 173.0 17.0 11.7 12.2 187 74 B K + 0 0 165 -2,-0.2 11,-1.7 11,-0.2 2,-0.3 -0.925 28.3 168.4-122.0 146.3 14.9 8.9 13.5 188 75 B Y E -D 197 0C 26 -2,-0.4 2,-0.3 9,-0.3 9,-0.2 -0.934 5.3-179.0-146.4 165.8 12.8 8.7 16.6 189 76 B K E -D 196 0C 92 7,-2.3 7,-3.0 -2,-0.3 2,-0.4 -0.863 29.2 -98.0-153.1-177.1 10.2 6.3 17.9 190 77 B R E -D 195 0C 83 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.914 22.6-170.2-117.9 143.4 7.8 5.8 20.8 191 78 B V E > S-D 194 0C 65 3,-1.9 3,-1.4 -2,-0.4 -2,-0.0 -0.955 85.5 -14.4-133.7 110.3 8.5 3.7 23.9 192 79 B N T 3 S- 0 0 168 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.939 132.1 -54.8 58.2 45.4 5.5 3.3 26.1 193 80 B G T 3 S+ 0 0 58 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.420 112.3 121.9 70.7 0.2 4.0 6.2 24.1 194 81 B A E < -D 191 0C 50 -3,-1.4 -3,-1.9 1,-0.0 2,-0.3 -0.735 68.3-111.0 -98.7 144.9 6.9 8.6 24.8 195 82 B I E -D 190 0C 5 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.554 38.6-177.9 -73.4 128.9 9.0 10.2 22.1 196 83 B V E -D 189 0C 57 -7,-3.0 -7,-2.3 -2,-0.3 2,-0.6 -0.996 25.1-129.9-133.2 127.7 12.5 8.8 22.0 197 84 B n E -D 188 0C 14 -2,-0.4 -9,-0.3 -9,-0.2 3,-0.1 -0.663 26.8-131.9 -79.8 118.0 15.3 9.9 19.7 198 85 B E - 0 0 85 -11,-1.7 -11,-0.2 -2,-0.6 2,-0.1 -0.152 36.1 -87.1 -60.8 162.9 16.9 6.9 18.1 199 86 B K S S+ 0 0 172 -13,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.460 70.4 112.6 -78.9 148.9 20.7 6.8 18.1 200 88 B G - 0 0 33 -2,-0.1 2,-0.1 -3,-0.1 -14,-0.1 -0.789 63.0 -11.3-172.9-143.6 22.8 8.4 15.5 201 89 B T > - 0 0 73 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.444 67.3-109.2 -77.4 155.5 25.3 11.3 14.9 202 90 B S H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.880 120.0 50.8 -51.8 -41.3 25.7 13.8 17.7 203 91 B m H > S+ 0 0 22 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.969 107.3 50.1 -61.6 -56.8 23.9 16.4 15.5 204 92 B E H > S+ 0 0 44 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 113.5 48.3 -50.5 -42.2 20.9 14.2 14.7 205 93 B N H X S+ 0 0 24 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.912 114.8 42.5 -67.4 -43.5 20.5 13.4 18.4 206 94 B R H X S+ 0 0 74 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.907 113.1 52.2 -70.1 -42.3 20.7 17.0 19.6 207 95 B I H X S+ 0 0 0 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.917 110.6 50.5 -57.4 -43.2 18.5 18.4 16.8 208 96 B n H X S+ 0 0 0 -4,-1.8 4,-3.7 -5,-0.3 -1,-0.2 0.845 105.1 54.7 -64.6 -38.6 15.9 15.8 17.8 209 97 B E H X S+ 0 0 82 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.896 107.7 51.3 -64.0 -38.6 16.0 16.7 21.5 210 98 B l H X S+ 0 0 7 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.943 116.1 41.1 -60.4 -48.5 15.2 20.3 20.5 211 99 B D H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.907 111.6 55.1 -66.0 -46.1 12.3 19.1 18.4 212 100 B K H X S+ 0 0 54 -4,-3.7 4,-1.9 1,-0.2 -2,-0.2 0.936 111.1 44.4 -53.2 -52.7 11.1 16.5 20.9 213 101 B A H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 112.3 52.8 -60.9 -43.8 10.8 19.1 23.7 214 102 B A H X S+ 0 0 4 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.922 109.1 48.0 -60.5 -46.3 9.1 21.6 21.4 215 103 B A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.882 113.1 48.0 -63.7 -39.2 6.4 19.2 20.2 216 104 B I H X S+ 0 0 24 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.895 109.5 54.1 -67.3 -38.9 5.6 18.2 23.8 217 105 B j H X S+ 0 0 25 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.876 105.8 53.4 -61.3 -40.0 5.5 21.8 24.8 218 106 B F H < S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.875 110.9 46.2 -64.5 -37.6 3.0 22.5 22.1 219 107 B R H >< S+ 0 0 115 -4,-1.5 3,-1.6 1,-0.2 4,-0.2 0.899 107.0 55.4 -72.6 -41.1 0.7 19.7 23.4 220 108 B Q H 3< S+ 0 0 41 -4,-2.4 -107,-0.3 1,-0.3 -1,-0.2 0.704 115.2 42.3 -64.2 -17.7 1.0 20.7 27.1 221 109 B N T >X S+ 0 0 12 -4,-0.9 3,-1.1 -3,-0.2 4,-0.7 0.169 72.9 109.8-115.2 16.8 -0.2 24.2 26.0 222 110 B L T <4 S+ 0 0 62 -3,-1.6 3,-0.2 1,-0.2 -1,-0.1 0.718 73.6 72.1 -61.5 -16.8 -3.0 23.2 23.6 223 111 B N T 34 S+ 0 0 124 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.860 104.9 30.1 -67.8 -40.1 -5.1 24.6 26.4 224 112 B T T <4 S+ 0 0 72 -3,-1.1 2,-0.3 2,-0.1 -1,-0.2 0.359 84.7 129.1-102.8 4.4 -4.3 28.3 25.9 225 113 B Y < - 0 0 31 -4,-0.7 2,-0.4 -3,-0.2 -3,-0.0 -0.459 39.4-176.5 -62.1 117.0 -3.7 28.0 22.1 226 114 B S > - 0 0 21 -2,-0.3 3,-1.2 1,-0.1 4,-0.1 -0.938 36.5-135.4-124.5 146.6 -5.8 30.9 20.7 227 115 B K G > S+ 0 0 175 -2,-0.4 3,-1.5 1,-0.2 -1,-0.1 0.623 94.6 81.5 -71.7 -13.0 -6.6 32.0 17.2 228 116 B K G 3 S+ 0 0 144 1,-0.3 -1,-0.2 -82,-0.0 -3,-0.0 0.648 88.7 56.0 -68.6 -11.6 -6.1 35.7 18.1 229 117 B Y G X S+ 0 0 40 -3,-1.2 -82,-3.0 3,-0.1 3,-0.9 0.403 80.4 110.5-100.6 1.9 -2.3 35.1 17.8 230 118 B M B < S+C 146 0B 58 -3,-1.5 -84,-0.2 1,-0.3 -88,-0.1 -0.593 89.6 5.3 -80.8 139.3 -2.4 33.9 14.2 231 119 B L T 3 S- 0 0 143 -86,-3.4 -1,-0.3 -2,-0.3 -85,-0.1 0.896 91.9-169.5 55.8 40.5 -0.9 36.1 11.5 232 120 B Y < - 0 0 54 -3,-0.9 -1,-0.2 -87,-0.5 -3,-0.1 -0.386 24.0-105.2 -63.5 134.6 0.1 38.4 14.4 233 121 B P > - 0 0 51 0, 0.0 3,-1.6 0, 0.0 4,-0.1 -0.345 16.5-128.7 -67.2 143.1 1.3 41.8 13.2 234 122 B D G > S+ 0 0 127 1,-0.3 3,-2.0 2,-0.2 -2,-0.1 0.860 105.8 61.1 -56.4 -43.0 5.0 42.7 13.3 235 124 B F G 3 S+ 0 0 164 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.608 96.3 62.3 -65.8 -10.1 4.5 46.0 15.1 236 125 B L G < S+ 0 0 52 -3,-1.6 2,-0.9 1,-0.1 -1,-0.3 0.395 80.4 89.7 -94.5 1.6 3.0 44.0 18.1 237 126 B h < + 0 0 23 -3,-2.0 -81,-0.2 1,-0.2 -1,-0.1 -0.860 64.7 175.8-102.5 101.7 6.2 42.1 18.7 238 127 B K + 0 0 141 -2,-0.9 -82,-0.2 -81,-0.2 -1,-0.2 0.908 27.1 44.3 -72.8-112.9 8.0 44.5 21.2 239 128 B G S S- 0 0 40 1,-0.1 2,-0.6 -84,-0.1 -83,-0.5 0.588 74.7 -95.9 -33.6 179.4 11.3 44.2 23.2 240 129 B E + 0 0 146 -85,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.948 46.5 172.8-108.2 124.9 14.8 43.1 22.3 241 130 B L - 0 0 27 -2,-0.6 2,-0.3 -85,-0.1 -85,-0.1 -0.998 4.9-179.8-137.0 131.3 15.5 39.5 23.2 242 131 B K 0 0 134 -182,-0.4 -240,-0.2 -2,-0.4 -239,-0.1 -0.908 360.0 360.0-131.7 158.6 18.5 37.4 22.5 243 133 B k 0 0 86 -2,-0.3 -1,-0.1 -241,-0.1 -69,-0.0 0.289 360.0 360.0-162.4 360.0 19.8 33.8 23.1