==== 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 08-DEC-04 1Y75 . COMPND 2 MOLECULE: PHOSPHOLIPASE A2 ISOFORM 5; . SOURCE 2 ORGANISM_SCIENTIFIC: NAJA SAGITTIFERA; . AUTHOR T.JABEEN,N.SINGH,J.JASTI,R.K.SINGH,S.SHARMA,M.PERBANDT,C.BET . 236 2 15 15 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 66.5 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 . 18 7.6 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 . 16 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 3 0 0 0 0 0 0 2 0 0 0 0 2 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 . 4 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 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 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 N >> 0 0 22 0, 0.0 4,-2.2 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 167.0 69.1 61.2 12.8 2 2 A T H 3> + 0 0 62 60,-1.9 4,-2.3 1,-0.3 5,-0.2 0.855 360.0 53.4 -46.1 -48.3 69.1 57.6 14.2 3 3 A Y H 3> S+ 0 0 178 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.860 109.4 47.9 -58.9 -39.8 72.6 56.9 12.8 4 4 A Q H <> S+ 0 0 27 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.913 110.3 51.4 -68.4 -44.5 74.1 59.9 14.6 5 5 A F H X S+ 0 0 28 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.893 105.2 57.4 -59.8 -39.6 72.4 59.1 17.9 6 6 A R H X S+ 0 0 95 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.886 107.1 49.0 -59.4 -38.5 73.8 55.5 17.5 7 7 A N H X S+ 0 0 57 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.921 104.9 55.6 -68.9 -42.8 77.3 57.1 17.4 8 8 A M H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.928 109.4 50.4 -55.0 -42.4 76.8 59.3 20.4 9 9 A I H X S+ 0 0 7 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.942 109.0 47.1 -60.7 -50.9 76.0 56.2 22.3 10 10 A Q H < S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.829 113.5 56.3 -61.9 -25.9 79.0 54.2 21.2 11 11 A a H < S+ 0 0 17 -4,-2.3 62,-0.5 -5,-0.2 -2,-0.2 0.969 115.2 30.6 -68.6 -57.3 80.8 57.4 22.1 12 12 A T H < S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.735 133.2 33.3 -76.0 -23.6 79.7 57.7 25.8 13 13 A V >< + 0 0 15 -4,-3.1 3,-1.2 -5,-0.3 -1,-0.2 -0.612 62.2 160.1-134.6 73.7 79.4 53.9 26.3 14 14 A P T 3 + 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.757 70.0 71.9 -64.4 -27.1 82.1 52.1 24.3 15 15 A S T 3 S+ 0 0 103 -3,-0.1 2,-0.3 2,-0.0 -5,-0.1 0.256 98.3 59.2 -74.9 12.4 81.7 49.0 26.5 16 17 A R S < S- 0 0 67 -3,-1.2 2,-0.3 -6,-0.1 -3,-0.1 -0.999 79.3-120.8-147.3 148.5 78.4 48.3 25.0 17 18 A S > - 0 0 39 -2,-0.3 3,-2.7 1,-0.1 4,-0.2 -0.631 32.8-122.8 -80.0 140.2 76.7 47.6 21.7 18 19 A W G > S+ 0 0 69 1,-0.3 3,-1.4 -2,-0.3 -1,-0.1 0.699 111.0 72.5 -59.5 -13.6 74.0 50.1 20.8 19 20 A W G > S+ 0 0 34 1,-0.3 3,-1.9 2,-0.2 4,-0.5 0.777 78.3 74.1 -70.0 -23.5 71.7 47.1 20.7 20 21 A D G < S+ 0 0 21 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.639 104.0 40.6 -62.3 -11.7 72.0 46.9 24.4 21 22 A F G < S+ 0 0 14 -3,-1.4 3,-0.3 -4,-0.2 -1,-0.3 0.227 92.0 83.9-118.9 7.4 69.7 50.0 24.3 22 23 A A S < S+ 0 0 23 -3,-1.9 -2,-0.1 1,-0.2 -3,-0.1 0.580 110.5 15.9 -88.0 -9.4 67.3 49.0 21.5 23 24 A D S S+ 0 0 9 -4,-0.5 87,-4.1 6,-0.0 2,-0.4 -0.243 88.7 133.9-159.5 57.0 65.1 46.9 23.9 24 25 A Y B > -AB 28 109A 0 4,-1.1 4,-1.8 -3,-0.3 3,-0.3 -0.939 67.4 -32.0-115.9 134.3 65.8 47.9 27.5 25 26 A G T 4 S- 0 0 2 83,-3.9 86,-0.2 -2,-0.4 85,-0.1 -0.136 100.7 -53.1 57.4-154.7 63.2 48.6 30.1 26 27 A b T 4 S+ 0 0 7 8,-0.1 6,-0.4 90,-0.1 5,-0.3 0.654 133.5 36.5 -92.8 -16.2 59.9 50.2 29.1 27 28 A Y T >4 S+ 0 0 23 -3,-0.3 3,-3.9 3,-0.2 2,-1.7 0.705 80.5 95.2-113.9 -22.8 61.4 53.2 27.2 28 29 A c B 3< S+A 24 0A 6 -4,-1.8 -4,-1.1 1,-0.3 -1,-0.1 -0.570 104.1 29.5 -77.0 93.4 64.6 52.3 25.4 29 30 A G T 3 S- 0 0 47 -2,-1.7 -1,-0.3 -6,-0.2 -2,-0.1 0.065 132.9 -98.7 131.6 -3.0 62.8 51.7 22.1 30 32 A d S < S+ 0 0 48 -3,-3.9 -3,-0.2 119,-0.0 -2,-0.1 0.991 72.4 119.3 61.3 100.1 60.2 54.3 23.3 31 33 A G - 0 0 25 -5,-0.3 2,-0.3 2,-0.0 -4,-0.1 -0.094 50.8 -81.7-142.6-116.6 56.9 53.4 24.9 32 34 A S + 0 0 47 -6,-0.4 2,-0.3 -2,-0.1 12,-0.0 -0.985 59.3 75.0-163.5 165.5 55.1 53.9 28.2 33 35 A G S S- 0 0 30 -2,-0.3 84,-0.1 85,-0.1 85,-0.1 -0.790 83.6 -25.3 123.1-166.9 54.7 52.8 31.8 34 36 A T - 0 0 122 82,-0.4 -8,-0.1 -2,-0.3 -2,-0.1 -0.745 70.0-113.5 -85.0 113.2 56.7 53.0 35.1 35 37 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.214 18.1-148.0 -47.1 130.8 60.5 53.5 34.4 36 38 A V - 0 0 43 1,-0.1 2,-0.3 72,-0.1 3,-0.1 0.622 67.7 -26.9 -73.8 -22.9 62.2 50.4 35.6 37 39 A D S > S- 0 0 24 1,-0.1 4,-2.3 71,-0.0 5,-0.2 -0.978 79.6 -67.5-177.2-179.2 65.4 52.4 36.6 38 40 A D H > S+ 0 0 89 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.906 127.4 49.5 -52.5 -48.7 67.6 55.4 36.0 39 41 A L H > S+ 0 0 0 64,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.880 110.3 50.5 -59.5 -40.9 68.7 54.2 32.5 40 42 A D H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 108.0 52.9 -65.0 -41.0 65.1 53.6 31.5 41 43 A R H X S+ 0 0 104 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.832 101.4 61.4 -62.8 -33.8 64.1 57.1 32.7 42 44 A e H X S+ 0 0 3 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.951 107.7 43.1 -55.8 -48.6 66.9 58.4 30.5 43 45 A c H X S+ 0 0 6 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.823 109.3 58.9 -67.5 -31.4 65.0 56.9 27.5 44 46 A Q H X S+ 0 0 73 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.925 107.7 44.8 -62.8 -45.9 61.8 58.3 28.9 45 47 A V H X S+ 0 0 94 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.809 111.5 56.0 -67.0 -30.1 63.1 61.8 28.8 46 48 A H H X S+ 0 0 13 -4,-1.5 4,-2.0 -5,-0.2 -2,-0.2 0.936 106.5 46.5 -70.5 -44.5 64.5 61.2 25.4 47 49 A d H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.925 114.1 48.3 -63.4 -44.9 61.1 60.1 23.8 48 50 A N H X S+ 0 0 87 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.831 108.8 55.7 -62.3 -31.3 59.4 63.1 25.4 49 51 A f H X S+ 0 0 35 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.888 108.0 47.0 -66.4 -41.9 62.2 65.2 24.0 50 52 A Y H X S+ 0 0 20 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.842 107.7 58.1 -67.5 -35.8 61.6 63.9 20.5 51 53 A R H < S+ 0 0 153 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.837 106.6 46.8 -66.1 -34.1 57.9 64.6 21.0 52 54 A Q H >< S+ 0 0 106 -4,-1.5 3,-1.4 1,-0.2 -1,-0.2 0.872 108.9 54.7 -74.4 -38.4 58.5 68.2 21.7 53 55 A A H >< S+ 0 0 4 -4,-1.6 3,-1.8 1,-0.3 -2,-0.2 0.821 97.7 65.5 -63.2 -31.1 60.8 68.5 18.7 54 56 A G T 3< S+ 0 0 45 -4,-1.5 5,-0.3 1,-0.3 -1,-0.3 0.703 87.5 69.5 -64.6 -18.7 58.0 67.1 16.6 55 57 A E T < S+ 0 0 141 -3,-1.4 2,-0.7 -4,-0.3 -1,-0.3 0.527 77.4 91.3 -77.8 -5.9 56.0 70.3 17.3 56 58 A I S X S- 0 0 56 -3,-1.8 3,-2.1 3,-0.2 -3,-0.0 -0.836 97.9-104.0 -90.6 114.7 58.4 72.3 15.2 57 59 A S T 3 S+ 0 0 120 -2,-0.7 -2,-0.1 1,-0.3 27,-0.1 -0.111 101.9 8.4 -44.9 120.0 56.8 72.2 11.7 58 60 A G T 3 S+ 0 0 75 -4,-0.2 2,-0.8 1,-0.2 -1,-0.3 0.556 91.8 140.9 84.9 12.4 58.7 69.8 9.4 59 61 A g < - 0 0 12 -3,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 -0.775 26.8-179.4 -99.1 105.6 60.8 68.3 12.2 60 62 A R >> - 0 0 128 -2,-0.8 4,-3.1 1,-0.2 3,-2.1 -0.801 7.4-168.9-106.1 90.2 61.3 64.6 12.0 61 63 A P T 34 S+ 0 0 11 0, 0.0 -1,-0.2 0, 0.0 -10,-0.1 0.796 84.4 55.5 -48.1 -42.8 63.4 63.7 14.9 62 64 A K T 34 S+ 0 0 84 1,-0.2 -60,-1.9 -61,-0.1 -2,-0.0 0.742 124.5 25.8 -66.0 -16.2 64.2 60.1 13.7 63 65 A F T <4 S+ 0 0 94 -3,-2.1 2,-0.2 -62,-0.2 -1,-0.2 0.662 83.5 117.8-119.5 -21.4 65.5 61.6 10.5 64 66 A K < - 0 0 66 -4,-3.1 2,-0.4 1,-0.1 -5,-0.0 -0.310 56.3-141.8 -56.3 117.5 66.8 65.1 11.0 65 67 A T - 0 0 93 -2,-0.2 2,-0.2 -61,-0.0 20,-0.1 -0.697 27.6-179.1 -84.0 129.7 70.5 65.2 10.3 66 68 A Y - 0 0 10 -2,-0.4 2,-0.6 -65,-0.1 20,-0.1 -0.744 29.9-106.9-124.4 171.7 72.4 67.5 12.7 67 69 A T + 0 0 40 11,-0.2 11,-2.2 -2,-0.2 2,-0.3 -0.893 51.5 143.8-102.9 122.8 75.9 68.7 13.3 68 70 A Y E -C 77 0B 45 -2,-0.6 2,-0.4 9,-0.3 9,-0.3 -0.961 36.9-141.7-150.2 165.0 77.6 67.2 16.4 69 71 A E E -C 76 0B 96 7,-3.1 7,-3.3 -2,-0.3 2,-0.5 -0.999 8.7-168.4-133.6 131.7 81.0 66.1 17.6 70 72 A a E +C 75 0B 43 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.942 14.4 169.8-123.5 104.4 81.5 63.1 19.8 71 73 A S E > -C 74 0B 62 3,-3.0 3,-1.1 -2,-0.5 -2,-0.0 -0.867 64.2 -45.3-123.5 98.8 85.0 63.0 21.2 72 74 A G T 3 S- 0 0 74 -2,-0.5 -1,-0.1 1,-0.3 -60,-0.1 0.934 124.2 -28.0 44.6 76.2 85.7 60.4 23.9 73 75 A G T 3 S+ 0 0 47 -62,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.289 120.3 112.3 74.9 -12.2 82.8 60.7 26.3 74 76 A T E < -C 71 0B 80 -3,-1.1 -3,-3.0 -63,-0.1 2,-0.4 -0.827 47.2-173.9 -97.3 125.2 82.6 64.3 25.1 75 77 A L E +C 70 0B 15 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.976 3.8 179.3-122.9 133.3 79.6 65.3 23.1 76 78 A T E -C 69 0B 72 -7,-3.3 -7,-3.1 -2,-0.4 2,-0.5 -0.982 17.3-153.8-138.4 123.3 79.1 68.7 21.4 77 79 A h E -C 68 0B 29 -2,-0.4 -9,-0.3 -9,-0.3 2,-0.2 -0.827 31.1-124.3 -92.3 130.6 76.2 69.9 19.3 78 80 A K > - 0 0 75 -11,-2.2 3,-1.0 -2,-0.5 -11,-0.2 -0.492 5.5-128.5 -81.6 145.1 77.4 72.6 16.9 79 81 A G T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -2,-0.2 7,-0.1 0.824 96.9 83.4 -57.9 -33.3 75.9 76.0 16.7 80 82 A D T 3 S+ 0 0 113 6,-0.0 2,-0.3 -14,-0.0 -1,-0.3 0.401 73.1 111.4 -56.0 9.3 75.4 75.8 12.9 81 83 A N < - 0 0 24 -3,-1.0 -15,-0.1 -14,-0.1 2,-0.0 -0.683 63.8-136.1 -91.8 137.9 72.2 73.9 13.8 82 84 A N > - 0 0 79 -2,-0.3 4,-3.6 1,-0.1 5,-0.3 -0.201 41.6 -84.4 -78.8 177.2 68.7 75.3 13.1 83 85 A A H > S+ 0 0 64 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.888 128.9 42.0 -50.7 -48.5 65.9 75.0 15.7 84 86 A g H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.939 120.4 41.2 -66.6 -49.7 64.8 71.5 14.6 85 87 A A H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.843 115.5 51.9 -67.1 -36.2 68.4 70.1 14.3 86 88 A A H X S+ 0 0 29 -4,-3.6 4,-1.8 2,-0.2 -2,-0.2 0.892 112.5 44.9 -67.8 -42.2 69.5 71.9 17.4 87 89 A S H X S+ 0 0 44 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.933 114.6 47.9 -68.0 -46.7 66.6 70.5 19.5 88 90 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 3,-0.5 0.952 110.9 51.6 -59.4 -50.5 67.1 67.0 18.1 89 91 A h H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.881 108.4 50.6 -56.3 -41.3 70.8 67.1 18.7 90 92 A D H X S+ 0 0 61 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.817 108.6 54.2 -68.1 -29.0 70.4 68.2 22.4 91 93 A f H X S+ 0 0 5 -4,-1.6 4,-2.6 -3,-0.5 5,-0.2 0.990 114.1 38.7 -65.2 -60.1 67.9 65.3 22.9 92 94 A D H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.908 117.3 50.5 -55.9 -48.1 70.3 62.6 21.6 93 95 A R H X S+ 0 0 73 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.937 112.9 45.0 -56.8 -51.2 73.4 64.2 23.3 94 96 A L H X S+ 0 0 86 -4,-2.0 4,-2.7 -5,-0.2 -1,-0.2 0.882 114.7 49.1 -64.3 -37.1 71.7 64.5 26.7 95 97 A A H X S+ 0 0 4 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.911 111.0 50.6 -68.1 -41.2 70.3 61.0 26.4 96 98 A A H X S+ 0 0 0 -4,-3.1 4,-1.5 -5,-0.2 -2,-0.2 0.907 113.5 44.8 -62.2 -41.6 73.8 59.7 25.4 97 99 A I H X S+ 0 0 76 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.921 111.5 54.4 -67.5 -42.0 75.3 61.5 28.4 98 100 A e H >X S+ 0 0 49 -4,-2.7 3,-1.4 1,-0.2 4,-0.7 0.921 105.1 52.3 -57.6 -48.7 72.4 60.2 30.6 99 101 A F H >< S+ 0 0 10 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.898 103.5 60.1 -54.8 -41.6 73.1 56.5 29.6 100 102 A A H 3< S+ 0 0 57 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.709 108.8 42.6 -62.2 -22.0 76.7 57.1 30.6 101 103 A G H << S+ 0 0 72 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.438 100.4 81.2-104.9 -0.2 75.7 57.9 34.2 102 104 A A S << S- 0 0 15 -3,-1.2 -65,-0.0 -4,-0.7 -1,-0.0 -0.907 81.8-114.0-111.7 132.3 73.1 55.2 34.7 103 105 A P - 0 0 96 0, 0.0 2,-0.7 0, 0.0 -64,-0.4 -0.216 25.9-131.4 -57.5 147.9 73.8 51.5 35.7 104 106 A Y - 0 0 34 -65,-0.1 2,-0.8 -66,-0.1 3,-0.0 -0.915 18.4-159.5-109.3 110.4 72.9 49.0 33.0 105 107 A N > - 0 0 73 -2,-0.7 3,-1.8 1,-0.1 4,-0.2 -0.792 10.9-154.6 -95.1 107.4 70.9 46.1 34.5 106 108 A D G > S+ 0 0 118 -2,-0.8 3,-1.2 1,-0.3 -1,-0.1 0.752 95.1 64.0 -47.8 -29.0 71.0 42.9 32.4 107 109 A N G 3 S+ 0 0 127 1,-0.2 -1,-0.3 -3,-0.0 -82,-0.1 0.913 96.8 56.6 -63.0 -41.0 67.7 42.0 34.0 108 110 A N G < S+ 0 0 14 -3,-1.8 -83,-3.9 -84,-0.1 3,-0.5 0.363 84.5 103.6 -76.7 8.3 66.0 45.0 32.5 109 111 A Y B < S-B 24 0A 42 -3,-1.2 -85,-0.3 -85,-0.3 -88,-0.1 -0.720 93.5 -4.1 -92.0 141.3 66.9 44.1 28.9 110 112 A N S S+ 0 0 33 -87,-4.1 -1,-0.2 -2,-0.3 -86,-0.1 0.866 88.9 173.1 45.8 49.4 64.2 42.6 26.6 111 113 A I - 0 0 9 -3,-0.5 2,-0.9 -86,-0.2 -1,-0.1 -0.386 46.5 -85.1 -80.9 163.7 61.6 42.6 29.4 112 114 A D > - 0 0 59 1,-0.2 4,-2.0 -2,-0.1 5,-0.2 -0.584 44.4-174.2 -72.9 103.3 57.9 41.7 28.8 113 115 A L H > S+ 0 0 22 -2,-0.9 4,-2.1 2,-0.2 5,-0.3 0.877 78.9 56.6 -69.0 -39.8 56.5 45.0 27.7 114 116 A K H 4 S+ 0 0 76 24,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.930 119.1 32.1 -57.7 -44.5 52.9 43.9 27.6 115 117 A A H 4 S+ 0 0 64 3,-0.2 -1,-0.2 1,-0.1 -2,-0.2 0.726 126.8 38.8 -87.0 -23.2 53.0 42.7 31.2 116 118 A R H < S+ 0 0 134 -4,-2.0 -82,-0.4 1,-0.1 -3,-0.2 0.601 120.6 35.8-106.8 -10.3 55.4 45.3 32.6 117 119 A b < 0 0 9 -4,-2.1 -3,-0.1 -5,-0.2 -2,-0.1 0.309 360.0 360.0-123.4 6.1 54.6 48.6 31.0 118 120 A N 0 0 139 -4,-0.3 -3,-0.2 -5,-0.3 -4,-0.1 0.751 360.0 360.0-118.8 360.0 50.9 48.2 30.8 119 !* 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 0.0 120 1 B N > 0 0 26 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 179.3 46.7 59.0 16.0 121 2 B I H > + 0 0 59 60,-1.3 4,-3.2 1,-0.2 5,-0.2 0.836 360.0 59.5 -60.2 -34.3 48.3 56.0 17.9 122 3 B K H > S+ 0 0 143 59,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.924 110.1 43.0 -61.2 -40.4 45.6 56.2 20.5 123 4 B Q H > S+ 0 0 29 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.810 112.7 53.0 -73.8 -31.1 43.0 55.6 17.8 124 5 B F H X S+ 0 0 22 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.920 103.0 57.2 -69.8 -42.9 45.3 52.9 16.2 125 6 B N H X S+ 0 0 26 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.920 113.1 41.5 -52.7 -43.9 45.6 51.0 19.5 126 7 B N H X S+ 0 0 84 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.870 107.3 59.8 -73.6 -38.0 41.8 50.8 19.5 127 8 B M H >X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.8 0.957 102.9 55.7 -50.6 -51.1 41.5 50.0 15.8 128 9 B I H 3X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.871 106.1 49.4 -48.5 -46.0 43.6 47.0 16.6 129 10 B Q H 3< S+ 0 0 92 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.794 101.2 64.1 -67.3 -29.0 41.1 45.8 19.2 130 11 B i H << S+ 0 0 11 -4,-1.7 -1,-0.2 -3,-0.8 -2,-0.2 0.939 115.9 29.3 -57.7 -48.3 38.2 46.3 16.8 131 12 B T H < S+ 0 0 24 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.746 135.3 30.9 -85.5 -27.0 39.6 43.5 14.5 132 13 B V >< + 0 0 21 -4,-2.0 3,-1.9 -5,-0.3 -1,-0.2 -0.562 66.1 160.5-132.7 67.6 41.3 41.5 17.2 133 14 B P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.776 71.9 67.6 -57.1 -32.5 39.2 42.0 20.4 134 15 B A T 3 S+ 0 0 103 -3,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.581 108.3 42.4 -67.3 -9.8 40.7 38.9 22.0 135 17 B R S < S- 0 0 74 -3,-1.9 2,-0.3 -6,-0.1 -3,-0.1 -0.772 74.2-132.9-130.7 174.7 44.0 40.8 22.1 136 18 B S > - 0 0 32 -2,-0.2 3,-1.7 1,-0.0 4,-0.3 -0.822 35.9-104.8-122.9 164.3 45.4 44.3 22.9 137 19 B W T >> S+ 0 0 65 -2,-0.3 3,-2.6 1,-0.3 4,-0.7 0.818 114.0 75.2 -58.9 -29.9 47.8 46.4 20.9 138 20 B W H 3> S+ 0 0 17 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.764 82.3 64.9 -54.2 -29.6 50.5 45.4 23.5 139 21 B D H <4 S+ 0 0 8 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.711 111.0 39.1 -66.5 -17.7 50.7 42.0 21.9 140 22 B F H X4 S+ 0 0 13 -3,-2.6 3,-0.8 -4,-0.3 -1,-0.2 0.460 93.2 85.0-107.6 -7.2 52.1 43.9 18.9 141 23 B A H 3< S+ 0 0 15 -4,-0.7 -2,-0.2 -3,-0.5 -3,-0.1 0.854 108.4 21.3 -64.1 -31.6 54.2 46.4 20.8 142 24 B D T 3< S+ 0 0 12 -4,-0.7 87,-2.6 6,-0.1 2,-0.4 -0.468 91.3 130.0-137.0 60.7 57.0 44.0 21.0 143 25 B Y B X> -DE 147 228C 0 4,-1.6 4,-1.3 -3,-0.8 3,-0.8 -0.967 67.3 -35.8-124.3 131.1 56.6 41.4 18.2 144 26 B G T 34 S- 0 0 4 83,-3.3 86,-0.1 -2,-0.4 85,-0.1 -0.221 100.9 -48.2 61.8-149.6 59.1 40.3 15.7 145 27 B j T 34 S+ 0 0 10 8,-0.1 6,-0.4 90,-0.1 -1,-0.2 0.387 133.5 26.8-102.4 3.2 61.6 42.8 14.2 146 28 B Y T X4 S+ 0 0 32 -3,-0.8 2,-1.6 4,-0.2 3,-0.6 0.642 82.4 97.7-133.5 -36.7 59.1 45.6 13.4 147 29 B k B 3< S+D 143 0C 7 -4,-1.3 -4,-1.6 1,-0.2 3,-0.1 -0.451 101.3 27.2 -63.0 91.1 56.0 45.7 15.5 148 30 B G T 3 S- 0 0 58 -2,-1.6 -1,-0.2 1,-0.4 2,-0.1 -0.256 138.6 -24.1 151.3 -54.1 57.4 48.3 17.9 149 31 B S S < S- 0 0 81 -3,-0.6 -1,-0.4 2,-0.1 2,-0.3 -0.320 87.4 -80.6-151.2-126.0 60.0 50.4 15.9 150 33 B G + 0 0 45 -2,-0.1 -4,-0.2 -3,-0.1 2,-0.2 -0.916 56.1 104.1-163.2 138.4 61.9 49.2 12.7 151 34 B S + 0 0 38 -6,-0.4 86,-0.1 -2,-0.3 2,-0.1 -0.665 51.3 14.7 160.6 145.4 64.9 47.1 11.5 152 35 B G S S- 0 0 22 -2,-0.2 84,-0.2 85,-0.1 -1,-0.1 -0.321 91.2 -24.0 83.3-160.9 66.1 43.8 10.0 153 36 B S - 0 0 83 82,-0.5 -8,-0.1 -2,-0.1 84,-0.1 -0.825 68.6-107.0 -99.0 124.1 64.4 41.0 8.2 154 37 B P - 0 0 28 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.015 22.4-152.2 -41.6 156.2 60.7 40.3 8.7 155 38 B V - 0 0 36 1,-0.3 2,-0.3 72,-0.1 -11,-0.1 0.721 62.8 -29.4-106.9 -31.8 59.9 37.3 10.8 156 39 B D S > S- 0 0 24 1,-0.1 4,-0.7 71,-0.1 -1,-0.3 -0.896 81.2 -65.6-165.3-168.8 56.5 36.3 9.5 157 40 B D H >> S+ 0 0 90 -2,-0.3 4,-2.4 2,-0.2 3,-1.0 0.948 130.8 48.4 -58.6 -50.6 53.3 37.6 8.0 158 41 B L H 3> S+ 0 0 1 64,-0.4 4,-1.7 1,-0.3 -1,-0.2 0.949 108.7 51.2 -54.5 -55.4 52.5 39.5 11.2 159 42 B D H 3> S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.671 111.7 52.3 -57.9 -15.4 55.9 41.0 11.5 160 43 B R H X S+ 0 0 55 -4,-0.7 4,-2.2 -3,-0.3 3,-0.6 0.998 111.8 42.3 -57.1 -66.1 56.8 46.6 8.2 164 47 B V H 3X S+ 0 0 86 -4,-1.9 4,-3.5 1,-0.3 5,-0.2 0.895 109.2 58.4 -44.9 -55.6 54.3 48.0 5.6 165 48 B H H 3X S+ 0 0 14 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.3 0.897 108.3 46.3 -42.8 -51.5 52.3 50.0 8.3 166 49 B D H < S+ 0 0 2 -4,-1.7 3,-1.5 -3,-0.5 -2,-0.2 0.734 100.0 66.9 -79.7 -24.1 52.1 59.9 4.9 173 56 B G T 3< S+ 0 0 26 -4,-2.0 5,-0.3 1,-0.3 -1,-0.2 0.731 92.2 64.8 -64.6 -22.0 54.9 61.9 6.6 174 57 B G T 3 S+ 0 0 62 -3,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 0.724 83.2 87.4 -73.7 -21.2 55.5 63.0 3.0 175 58 B V S X S- 0 0 48 -3,-1.5 3,-1.0 -4,-0.2 2,-0.3 -0.488 102.4 -89.0 -69.2 157.2 52.0 64.7 3.1 176 59 B T T 3 S- 0 0 135 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.544 98.8 -8.6 -79.7 131.1 52.6 68.2 4.5 177 60 B G T 3 S+ 0 0 75 -2,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.780 96.1 149.7 58.0 27.5 52.5 68.9 8.2 178 61 B n < - 0 0 13 -3,-1.0 -1,-0.2 -5,-0.3 -3,-0.1 -0.834 24.9-179.7 -98.4 118.5 51.2 65.3 8.5 179 62 B A >> - 0 0 52 -2,-0.6 4,-3.3 1,-0.2 3,-1.2 -0.911 11.4-162.8-120.9 102.4 52.1 63.6 11.8 180 63 B P T 34 S+ 0 0 13 0, 0.0 -1,-0.2 0, 0.0 -10,-0.0 0.910 87.9 47.2 -44.7 -61.5 50.8 60.0 12.0 181 64 B K T 34 S+ 0 0 124 -61,-0.2 -60,-1.3 1,-0.2 -59,-0.4 0.640 125.2 33.5 -58.8 -16.7 51.1 59.3 15.7 182 65 B S T <4 S+ 0 0 87 -3,-1.2 2,-0.4 -62,-0.2 -1,-0.2 0.718 85.5 98.0-119.0 -26.1 49.5 62.6 16.4 183 66 B K < - 0 0 82 -4,-3.3 2,-0.5 20,-0.1 -5,-0.0 -0.549 65.7-139.2 -72.8 125.4 46.9 63.6 13.8 184 67 B T - 0 0 87 -2,-0.4 2,-0.2 -64,-0.0 20,-0.1 -0.703 24.2-171.2 -83.7 122.3 43.4 62.7 15.1 185 68 B Y - 0 0 4 -2,-0.5 2,-0.7 19,-0.1 20,-0.0 -0.560 26.3-111.8-109.3 175.8 41.1 61.2 12.4 186 69 B T + 0 0 53 11,-0.2 11,-3.3 -2,-0.2 2,-0.3 -0.928 51.1 150.3-111.0 109.4 37.4 60.3 12.3 187 70 B Y E -F 196 0D 60 -2,-0.7 2,-0.3 9,-0.3 9,-0.3 -0.787 29.5-143.9-131.6 174.7 36.9 56.5 12.1 188 71 B E E -F 195 0D 124 7,-2.4 7,-2.4 -2,-0.3 2,-0.5 -1.000 2.2-154.4-145.8 145.8 34.4 53.9 13.1 189 72 B i E +F 194 0D 63 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.979 15.8 173.9-119.4 122.5 34.4 50.4 14.4 190 73 B S E > -F 193 0D 68 3,-2.6 3,-1.3 -2,-0.5 -2,-0.0 -0.867 69.7 -39.6-134.7 101.6 31.4 48.2 13.8 191 74 B Q T 3 S- 0 0 193 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.936 124.0 -36.5 46.9 63.6 31.7 44.5 14.8 192 75 B G T 3 S+ 0 0 35 1,-0.2 2,-0.5 -62,-0.1 -1,-0.3 0.375 118.4 107.2 78.0 -6.5 35.2 43.9 13.7 193 76 B T E < -F 190 0D 79 -3,-1.3 -3,-2.6 -63,-0.1 2,-0.3 -0.928 55.6-150.5-114.1 127.1 35.0 46.1 10.6 194 77 B L E -F 189 0D 14 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.631 11.8-175.6 -94.4 149.2 36.7 49.6 10.4 195 78 B T E -F 188 0D 71 -7,-2.4 -7,-2.4 -2,-0.3 2,-0.4 -0.978 16.0-149.1-145.2 126.1 35.6 52.6 8.4 196 79 B o E -F 187 0D 31 -2,-0.4 -9,-0.3 -9,-0.3 2,-0.1 -0.811 29.7-126.7 -92.8 135.8 37.4 55.9 8.0 197 80 B S > - 0 0 48 -11,-3.3 3,-0.6 -2,-0.4 -11,-0.2 -0.313 11.5-119.0 -79.6 167.6 34.9 58.8 7.6 198 81 B G T 3 S+ 0 0 77 1,-0.2 7,-0.1 -2,-0.1 -1,-0.1 0.821 99.5 75.0 -76.7 -32.9 34.9 61.3 4.8 199 82 B E T 3 S+ 0 0 146 5,-0.0 2,-0.3 6,-0.0 -1,-0.2 0.318 71.6 120.8 -65.3 11.5 35.4 64.6 6.7 200 83 B N < - 0 0 18 -3,-0.6 -15,-0.1 -14,-0.1 -4,-0.0 -0.631 66.8-120.0 -82.2 133.2 39.1 63.6 7.2 201 84 B S > - 0 0 53 -2,-0.3 4,-3.1 1,-0.1 5,-0.4 -0.208 38.7 -93.5 -64.4 161.1 41.7 66.0 5.8 202 85 B A H > S+ 0 0 74 1,-0.3 4,-1.2 2,-0.2 -1,-0.1 0.812 130.7 45.7 -45.1 -36.3 44.1 64.6 3.2 203 86 B n H > S+ 0 0 8 2,-0.2 4,-2.1 3,-0.1 -1,-0.3 0.893 113.2 46.6 -76.1 -44.5 46.5 63.8 6.1 204 87 B A H > S+ 0 0 1 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.940 112.2 51.1 -63.5 -48.5 43.9 62.2 8.4 205 88 B A H X S+ 0 0 41 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.849 111.3 47.6 -57.7 -39.7 42.4 60.1 5.7 206 89 B T H X S+ 0 0 55 -4,-1.2 4,-2.2 -5,-0.4 -1,-0.2 0.928 116.5 42.4 -69.3 -46.8 45.8 58.7 4.7 207 90 B V H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.951 112.2 53.9 -63.4 -53.7 46.9 57.9 8.2 208 91 B o H X S+ 0 0 0 -4,-3.4 4,-2.5 1,-0.2 5,-0.2 0.939 110.6 47.1 -46.4 -55.5 43.5 56.5 9.1 209 92 B D H X S+ 0 0 63 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.915 107.9 56.0 -54.7 -46.8 43.7 54.1 6.1 210 93 B m H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.956 111.8 44.7 -48.2 -53.9 47.2 53.1 7.1 211 94 B D H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.851 112.4 48.4 -61.6 -42.1 45.9 52.1 10.5 212 95 B R H X S+ 0 0 56 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.877 111.9 49.8 -71.2 -32.0 42.8 50.2 9.4 213 96 B L H X S+ 0 0 84 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.860 113.3 47.4 -70.2 -35.4 44.8 48.3 6.8 214 97 B A H X S+ 0 0 4 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.954 112.2 49.3 -68.2 -48.1 47.3 47.4 9.5 215 98 B A H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.898 113.3 46.8 -56.8 -43.7 44.5 46.4 11.9 216 99 B I H X S+ 0 0 82 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.854 111.3 52.3 -67.5 -35.6 42.9 44.3 9.2 217 100 B l H X S+ 0 0 54 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.824 107.0 53.0 -70.8 -32.0 46.3 42.7 8.4 218 101 B F H < S+ 0 0 11 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.918 105.1 53.5 -70.0 -42.9 46.9 41.9 12.0 219 102 B A H < S+ 0 0 51 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 113.4 43.6 -60.5 -35.5 43.6 40.0 12.4 220 103 B G H < S+ 0 0 69 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.769 98.5 82.8 -83.3 -27.8 44.4 37.8 9.4 221 104 B A S < S- 0 0 19 -4,-1.5 2,-0.2 -5,-0.1 -65,-0.0 -0.415 86.9-105.1 -77.4 153.4 48.0 37.0 10.1 222 105 B P - 0 0 85 0, 0.0 2,-0.6 0, 0.0 -64,-0.4 -0.527 26.5-135.4 -77.5 144.7 49.0 34.2 12.5 223 106 B Y - 0 0 44 -2,-0.2 2,-0.6 -4,-0.1 3,-0.1 -0.903 17.7-164.0-104.5 117.9 50.3 35.2 16.0 224 107 B N > - 0 0 64 -2,-0.6 3,-1.8 1,-0.2 4,-0.0 -0.891 14.1-159.1-106.0 113.8 53.4 33.2 17.1 225 108 B D G > S+ 0 0 117 -2,-0.6 3,-1.7 1,-0.3 -1,-0.2 0.835 93.9 64.8 -55.3 -34.1 54.2 33.4 20.8 226 109 B N G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.739 99.6 51.7 -61.5 -24.9 57.8 32.3 19.8 227 110 B N G < S+ 0 0 18 -3,-1.8 -83,-3.3 3,-0.1 2,-0.4 0.179 91.1 95.6-100.4 17.9 58.2 35.6 17.9 228 111 B Y B < S+E 143 0C 38 -3,-1.7 -85,-0.2 -85,-0.2 -88,-0.1 -0.883 92.4 7.4-108.7 139.6 57.1 37.8 20.8 229 112 B N S S+ 0 0 42 -87,-2.6 -1,-0.2 -2,-0.4 -86,-0.1 0.831 91.4 170.9 63.3 32.0 59.7 39.4 23.1 230 113 B I - 0 0 15 -3,-0.3 2,-1.2 -88,-0.3 -1,-0.2 -0.363 45.5-103.8 -76.2 154.5 62.5 38.2 20.9 231 114 B D >> - 0 0 65 1,-0.2 3,-1.6 -2,-0.1 4,-0.6 -0.672 34.9-169.2 -79.6 97.9 66.2 39.3 21.3 232 115 B L H >> S+ 0 0 25 -2,-1.2 4,-2.6 1,-0.3 3,-0.9 0.827 77.7 72.2 -57.5 -37.6 66.4 41.7 18.4 233 116 B K H 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.2 -214,-0.1 0.510 109.3 34.5 -59.0 -3.9 70.2 41.9 18.6 234 117 B S H <4 S+ 0 0 76 -3,-1.6 -1,-0.3 2,-0.0 -2,-0.2 0.485 126.9 32.5-127.8 -10.2 70.3 38.4 17.2 235 118 B R H << S+ 0 0 111 -3,-0.9 -82,-0.5 -4,-0.6 -2,-0.2 0.486 111.9 54.9-127.0 -6.1 67.4 38.3 14.7 236 119 B j < 0 0 1 -4,-2.6 -3,-0.1 -5,-0.2 -4,-0.1 0.102 360.0 360.0-120.6 25.1 67.1 41.8 13.3 237 120 B Q 0 0 152 -85,-0.1 -1,-0.1 -5,-0.1 -85,-0.1 -0.048 360.0 360.0 -75.9 360.0 70.4 42.8 11.9