==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-APR-02 1LE7 . COMPND 2 MOLECULE: GROUP X SECRETORY PHOSPHOLIPASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.H.PAN,M.K.JAIN,B.J.BAHNSON . 246 2 16 16 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 62.2 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 . 17 6.9 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 . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 34.6 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+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 0 0 0 0 0 0 0 2 0 0 0 0 0 1 3 0 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 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 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 G >> 0 0 2 0, 0.0 4,-2.5 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 175.3 47.6 9.6 1.1 2 2 A I H 3> + 0 0 89 59,-1.2 4,-2.4 1,-0.2 5,-0.2 0.796 360.0 57.7 -57.9 -30.8 45.5 12.8 1.1 3 3 A L H 3> S+ 0 0 142 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.898 110.3 42.0 -68.2 -39.8 42.9 10.9 3.1 4 4 A E H <> S+ 0 0 27 -3,-0.5 4,-3.1 2,-0.2 5,-0.3 0.860 112.5 55.7 -72.8 -36.8 45.4 10.1 5.9 5 5 A L H X S+ 0 0 34 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.943 111.1 42.6 -60.5 -48.9 46.9 13.6 5.7 6 6 A A H X S+ 0 0 44 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.893 115.1 53.5 -65.2 -37.1 43.5 15.2 6.3 7 7 A G H X S+ 0 0 25 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.924 109.6 43.7 -63.3 -49.6 42.8 12.6 9.0 8 8 A T H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.910 113.9 50.9 -64.4 -43.5 46.0 13.2 11.0 9 9 A V H X S+ 0 0 8 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.891 112.8 47.2 -61.6 -37.5 45.7 17.0 10.8 10 10 A G H < S+ 0 0 39 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.788 106.9 58.2 -73.7 -28.8 42.1 16.7 12.0 11 11 A a H < S+ 0 0 13 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.946 109.0 43.3 -65.4 -47.8 43.0 14.3 14.8 12 12 A V H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.723 103.3 166.8 -73.8 -22.7 45.4 16.8 16.4 13 13 A G < + 0 0 10 -4,-1.1 -1,-0.1 -5,-0.2 -2,-0.1 -0.154 56.1 148.8 76.8-175.1 43.2 19.9 16.0 14 14 A P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.991 86.2 17.3 -97.2 -0.7 42.4 22.7 16.6 15 15 A R S S- 0 0 58 -6,-0.2 -2,-0.2 1,-0.1 -3,-0.0 -0.812 89.6 -72.3-128.5 168.6 40.8 23.6 13.3 16 16 A T > - 0 0 80 -2,-0.3 3,-2.2 1,-0.1 4,-0.2 -0.316 37.4-128.3 -60.6 138.5 39.3 21.9 10.2 17 17 A P G > S+ 0 0 39 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.763 107.3 69.7 -56.5 -27.7 41.9 20.4 7.8 18 18 A I G > S+ 0 0 104 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.708 80.0 77.1 -65.6 -19.5 40.2 22.3 5.0 19 19 A A G < S+ 0 0 14 -3,-2.2 -1,-0.3 1,-0.3 3,-0.1 0.690 99.9 41.1 -64.9 -17.7 41.6 25.5 6.6 20 20 A Y G < S+ 0 0 18 -3,-1.7 3,-0.5 -4,-0.2 -1,-0.3 0.301 79.7 107.2-113.0 7.9 45.0 24.7 5.1 21 21 A M S < S+ 0 0 113 -3,-1.3 2,-0.3 1,-0.3 8,-0.2 0.884 102.6 4.1 -51.7 -44.4 43.9 23.4 1.7 22 22 A K S S+ 0 0 78 -4,-0.4 87,-2.0 -3,-0.1 2,-0.3 -0.820 91.4 139.8-147.2 100.8 45.3 26.6 0.1 23 23 A Y B > -AB 27 108A 0 4,-1.8 4,-2.1 -3,-0.5 3,-0.4 -0.999 55.6 -24.2-147.9 142.2 47.1 29.0 2.5 24 24 A G T 4 S- 0 0 0 83,-2.6 86,-0.1 -2,-0.3 91,-0.1 -0.096 103.2 -48.2 55.2-152.0 50.2 31.1 2.3 25 25 A b T 4 S+ 0 0 6 9,-0.1 7,-1.0 1,-0.1 -1,-0.2 0.603 135.1 30.8 -92.4 -12.5 53.0 30.3 -0.2 26 26 A F T 4 S+ 0 0 6 -3,-0.4 2,-0.9 5,-0.2 -2,-0.2 0.602 85.2 95.5-124.1 -13.5 53.2 26.6 0.6 27 27 A c B < S+A 23 0A 4 -4,-2.1 -4,-1.8 2,-0.0 2,-0.2 -0.716 83.0 34.3 -85.7 110.4 50.0 25.1 1.8 28 28 A G S S- 0 0 26 -2,-0.9 -6,-0.1 -6,-0.2 -7,-0.1 -0.561 112.7 -22.2 131.6 165.1 48.5 23.5 -1.4 29 29 A L S S- 0 0 159 -8,-0.2 -2,-0.0 -2,-0.2 -8,-0.0 -0.064 116.4 -24.0 -42.3 126.3 49.8 21.8 -4.5 30 30 A G S S- 0 0 48 1,-0.1 2,-0.2 -4,-0.0 -2,-0.1 -0.217 75.3-166.6 64.8-155.8 53.5 22.9 -5.0 31 31 A G - 0 0 37 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.496 13.6-176.0 143.4 147.2 54.7 26.1 -3.5 32 32 A H + 0 0 54 -7,-1.0 2,-0.2 -2,-0.2 87,-0.2 -0.981 38.7 50.2-161.2 163.6 57.6 28.6 -3.6 33 33 A G S S- 0 0 0 -2,-0.3 82,-0.1 82,-0.2 79,-0.0 -0.617 91.0 -27.4 105.3-164.2 58.8 31.8 -1.9 34 34 A Q - 0 0 91 -2,-0.2 -9,-0.1 85,-0.2 82,-0.1 -0.822 69.9-108.8 -95.5 122.4 59.3 33.0 1.6 35 35 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.191 22.6-147.2 -48.3 138.0 57.0 31.3 4.2 36 36 A R - 0 0 33 1,-0.1 2,-0.3 71,-0.1 -12,-0.1 0.790 65.1 -29.0 -80.4 -31.8 54.4 33.8 5.4 37 37 A D S > S- 0 0 22 1,-0.1 4,-1.8 70,-0.0 5,-0.2 -0.915 83.5 -60.1-165.5-171.6 54.1 32.4 9.0 38 38 A A H > S+ 0 0 52 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.889 129.4 48.8 -53.1 -48.3 54.3 29.4 11.3 39 39 A I H > S+ 0 0 0 63,-0.3 4,-2.0 1,-0.2 3,-0.4 0.943 110.3 50.3 -59.4 -49.4 51.5 27.5 9.4 40 40 A D H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.826 108.5 55.2 -60.0 -29.1 53.2 28.2 6.0 41 41 A W H X S+ 0 0 114 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.857 103.5 53.8 -72.0 -35.5 56.4 26.9 7.6 42 42 A d H X S+ 0 0 4 -4,-1.7 4,-1.9 -3,-0.4 -2,-0.2 0.912 109.8 47.6 -64.7 -41.9 54.7 23.7 8.5 43 43 A c H X S+ 0 0 7 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.834 108.9 55.3 -68.7 -30.3 53.7 23.2 4.9 44 44 A H H X S+ 0 0 12 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.957 110.2 44.4 -65.5 -49.9 57.2 24.0 3.8 45 45 A G H X S+ 0 0 24 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.844 112.2 53.7 -62.7 -33.7 58.6 21.3 5.9 46 46 A H H X S+ 0 0 11 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.939 107.0 50.2 -67.9 -45.2 55.9 18.9 4.8 47 47 A D H X S+ 0 0 45 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.945 111.2 50.0 -56.1 -48.4 56.7 19.6 1.1 48 48 A e H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.940 110.1 50.1 -54.7 -49.0 60.3 18.9 1.9 49 49 A f H X S+ 0 0 7 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.920 110.3 50.0 -57.0 -46.5 59.4 15.6 3.7 50 50 A Y H X S+ 0 0 21 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.874 108.0 53.4 -62.6 -36.6 57.2 14.5 0.7 51 51 A T H X S+ 0 0 61 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.925 108.1 50.9 -64.1 -41.6 60.1 15.2 -1.7 52 52 A R H X S+ 0 0 111 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.884 110.2 49.1 -61.6 -39.8 62.4 13.0 0.4 53 53 A A H <>S+ 0 0 3 -4,-2.0 5,-1.2 2,-0.2 3,-0.3 0.911 108.7 52.9 -66.7 -41.9 59.8 10.2 0.3 54 54 A E H ><5S+ 0 0 92 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.921 108.9 49.8 -59.1 -42.0 59.4 10.5 -3.4 55 55 A E H 3<5S+ 0 0 150 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.762 103.8 60.1 -67.9 -23.5 63.2 10.2 -3.7 56 56 A A T 3<5S- 0 0 40 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.377 129.0 -99.7 -83.5 5.1 63.0 7.1 -1.5 57 57 A G T < 5S+ 0 0 61 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.916 81.3 126.5 78.5 45.4 60.7 5.6 -4.2 58 58 A g < - 0 0 20 -5,-1.2 -1,-0.2 -4,-0.2 -2,-0.0 -0.788 59.8-129.5-127.7 172.3 57.3 6.3 -2.6 59 59 A S >> - 0 0 52 -2,-0.2 4,-1.9 1,-0.1 3,-1.8 -0.681 23.3-179.5-126.7 77.4 54.0 8.0 -3.5 60 60 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 0.727 79.7 49.1 -45.4 -35.9 53.2 10.4 -0.7 61 61 A K T 34 S+ 0 0 105 -60,-0.1 -59,-1.2 -11,-0.1 -58,-0.2 0.627 121.6 26.8 -87.9 -11.3 49.9 11.6 -2.2 62 62 A T T <4 S+ 0 0 103 -3,-1.8 -59,-0.1 -61,-0.2 2,-0.1 0.811 88.3 90.8-119.0 -45.6 48.4 8.2 -3.0 63 63 A E < - 0 0 52 -4,-1.9 2,-0.1 -62,-0.1 -1,-0.0 -0.350 63.6-138.9 -64.6 131.7 49.4 5.3 -0.9 64 64 A R - 0 0 130 -2,-0.1 2,-0.3 -61,-0.1 23,-0.1 -0.376 20.5-173.6 -82.5 163.7 47.2 4.6 2.1 65 65 A Y - 0 0 6 -2,-0.1 2,-0.2 14,-0.1 14,-0.1 -0.984 24.6-107.6-157.2 152.5 48.6 3.6 5.5 66 66 A S + 0 0 43 12,-0.7 11,-1.8 -2,-0.3 2,-0.3 -0.573 45.2 148.1 -84.3 146.9 47.2 2.6 8.9 67 67 A W E -C 76 0B 63 9,-0.2 2,-0.3 -2,-0.2 9,-0.2 -0.972 31.8-129.6-168.5 162.9 47.3 4.8 12.0 68 68 A Q E -C 75 0B 121 7,-2.5 7,-2.6 -2,-0.3 2,-0.6 -0.927 6.6-144.3-125.6 149.2 45.4 5.7 15.2 69 69 A a E +C 74 0B 66 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.958 27.1 171.3-110.5 117.4 44.1 8.9 16.8 70 70 A V E > -C 73 0B 63 3,-2.9 3,-1.0 -2,-0.6 -2,-0.0 -0.983 70.0 -18.7-132.0 122.3 44.4 8.8 20.6 71 71 A N T 3 S- 0 0 149 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.896 128.7 -53.5 49.8 44.5 43.8 11.8 22.9 72 72 A Q T 3 S+ 0 0 126 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.808 116.1 122.2 60.1 33.8 44.3 13.9 19.7 73 73 A S E < -C 70 0B 60 -3,-1.0 -3,-2.9 2,-0.0 2,-0.5 -0.983 60.1-129.1-127.8 138.6 47.6 12.3 19.1 74 74 A V E -C 69 0B 7 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.742 18.4-169.7 -91.0 128.8 48.7 10.4 16.0 75 75 A L E -C 68 0B 84 -7,-2.6 -7,-2.5 -2,-0.5 2,-0.4 -0.978 18.5-138.2-117.9 119.9 50.2 6.9 16.4 76 76 A h E -C 67 0B 60 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.2 -0.651 36.7 -93.6 -87.0 129.2 51.7 5.4 13.2 77 77 A G - 0 0 25 -11,-1.8 2,-0.1 -2,-0.4 -2,-0.1 -0.628 24.6 -84.8 130.4 169.3 51.3 1.8 12.2 78 78 A P - 0 0 105 0, 0.0 -12,-0.7 0, 0.0 2,-0.4 0.529 61.8-163.0 -73.9 145.1 51.1 -1.0 11.5 79 79 A A - 0 0 47 -3,-0.2 3,-0.1 1,-0.1 -14,-0.1 -0.834 19.0-167.4-100.9 134.8 53.3 -0.4 8.4 80 80 A E S S+ 0 0 149 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.588 76.1 3.8 -91.6 -15.3 53.4 -2.9 5.6 81 81 A N S > S- 0 0 61 1,-0.0 4,-1.0 0, 0.0 3,-0.2 -0.938 84.0 -91.6-157.3 175.4 56.5 -1.3 4.0 82 82 A K H > S+ 0 0 107 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.796 118.2 61.0 -66.9 -29.6 59.1 1.4 4.5 83 83 A g H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.884 99.7 52.6 -66.9 -39.5 57.0 3.9 2.5 84 84 A Q H > S+ 0 0 5 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 109.4 52.2 -64.6 -31.1 54.0 3.7 4.8 85 85 A E H X S+ 0 0 120 -4,-1.0 4,-1.7 2,-0.2 -2,-0.2 0.946 112.1 45.1 -66.4 -49.9 56.4 4.5 7.6 86 86 A L H X S+ 0 0 52 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.924 113.3 48.8 -60.2 -50.5 57.8 7.6 5.8 87 87 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.932 111.8 47.5 -59.2 -49.1 54.3 8.9 4.8 88 88 A h H X S+ 0 0 1 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.856 110.0 55.1 -62.2 -33.5 52.8 8.7 8.2 89 89 A K H X S+ 0 0 128 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.907 109.4 46.4 -65.7 -42.2 55.9 10.3 9.6 90 90 A f H X S+ 0 0 2 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.966 116.7 43.0 -63.9 -52.8 55.5 13.3 7.3 91 91 A D H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.909 113.1 52.2 -60.9 -43.1 51.8 13.7 8.0 92 92 A Q H X S+ 0 0 56 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.886 110.2 51.2 -60.2 -38.5 52.3 13.2 11.7 93 93 A E H X S+ 0 0 87 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.908 111.2 43.8 -68.3 -43.5 54.9 15.9 11.7 94 94 A I H X S+ 0 0 11 -4,-2.3 4,-3.4 2,-0.2 5,-0.3 0.870 111.9 56.1 -71.5 -31.5 52.9 18.5 9.9 95 95 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.958 111.5 41.7 -62.1 -50.4 49.9 17.7 12.1 96 96 A N H X S+ 0 0 74 -4,-2.2 4,-0.9 2,-0.2 -2,-0.2 0.939 117.5 48.2 -60.9 -47.5 51.9 18.3 15.3 97 97 A d H >< S+ 0 0 47 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.966 113.5 46.6 -56.0 -56.2 53.5 21.4 13.8 98 98 A L H >< S+ 0 0 4 -4,-3.4 3,-1.9 1,-0.3 -1,-0.2 0.868 102.5 65.7 -56.2 -39.6 50.2 22.8 12.6 99 99 A A H 3< S+ 0 0 30 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.794 98.1 54.1 -54.5 -31.7 48.5 22.1 15.9 100 100 A Q T << S+ 0 0 174 -3,-1.3 -1,-0.3 -4,-0.9 2,-0.2 0.313 93.8 98.8 -88.4 8.6 50.8 24.7 17.7 101 101 A T < - 0 0 11 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.564 65.3-130.6-103.9 162.3 49.9 27.6 15.4 102 102 A E - 0 0 157 -2,-0.2 2,-0.4 2,-0.0 -63,-0.3 -0.756 34.5-118.2 -99.1 151.2 47.7 30.7 15.3 103 103 A Y - 0 0 59 -2,-0.3 2,-0.7 -65,-0.1 -84,-0.0 -0.802 18.5-160.9-100.6 132.0 45.6 31.2 12.2 104 104 A N > - 0 0 39 -2,-0.4 3,-1.9 1,-0.1 4,-0.2 -0.902 3.2-166.5-112.5 103.7 46.0 34.2 9.9 105 105 A L G > S+ 0 0 127 -2,-0.7 3,-2.1 1,-0.3 -1,-0.1 0.816 83.0 72.9 -55.9 -34.3 42.9 34.8 7.7 106 106 A K G 3 S+ 0 0 10 1,-0.3 -1,-0.3 32,-0.2 33,-0.1 0.600 97.4 49.7 -58.6 -12.8 44.9 37.3 5.6 107 107 A Y G X S+ 0 0 10 -3,-1.9 -83,-2.6 33,-0.1 3,-1.5 0.406 78.2 116.5-107.7 -0.5 46.9 34.4 4.1 108 108 A L B < S+B 23 0A 54 -3,-2.1 -85,-0.2 1,-0.3 -88,-0.1 -0.582 95.3 0.4 -70.4 121.5 43.9 32.2 3.2 109 109 A F T 3 S- 0 0 129 -87,-2.0 -1,-0.3 -2,-0.4 -86,-0.2 0.855 90.5-174.6 66.5 36.6 44.0 31.8 -0.6 110 110 A Y < - 0 0 5 -3,-1.5 2,-0.3 1,-0.1 -1,-0.2 -0.474 30.9-108.6 -66.8 128.5 47.1 34.0 -0.8 111 111 A P > - 0 0 40 0, 0.0 3,-2.6 0, 0.0 4,-0.2 -0.418 14.8-145.0 -62.1 119.4 48.0 34.7 -4.5 112 112 A Q G > S+ 0 0 123 1,-0.3 3,-1.8 -2,-0.3 -2,-0.1 0.714 96.9 76.2 -59.2 -17.9 51.2 32.8 -5.5 113 113 A F G 3 S+ 0 0 137 1,-0.3 -1,-0.3 14,-0.0 14,-0.1 0.836 93.2 51.4 -60.8 -30.7 51.9 35.8 -7.6 114 114 A L G < S+ 0 0 14 -3,-2.6 2,-0.4 2,-0.1 -1,-0.3 0.449 92.4 97.0 -85.7 -0.3 52.9 37.5 -4.4 115 115 A b S < S- 0 0 7 -3,-1.8 -82,-0.2 -4,-0.2 12,-0.0 -0.764 80.8-112.2 -94.1 134.9 55.2 34.6 -3.5 116 116 A E - 0 0 32 -2,-0.4 -1,-0.1 -82,-0.1 -2,-0.1 -0.123 18.4-121.0 -61.2 156.8 58.9 34.9 -4.3 117 117 A P S S+ 0 0 92 0, 0.0 2,-0.2 0, 0.0 -84,-0.2 0.844 92.7 63.1 -66.5 -37.4 60.6 32.8 -6.9 118 118 A D - 0 0 134 -86,-0.1 -85,-0.2 -84,-0.0 -2,-0.1 -0.576 67.4-157.0 -94.4 156.1 63.1 31.3 -4.5 119 119 A S - 0 0 58 -2,-0.2 -85,-0.2 -87,-0.2 3,-0.1 -0.928 27.3 -97.7-131.0 152.6 62.5 29.1 -1.4 120 120 A P - 0 0 36 0, 0.0 -87,-0.0 0, 0.0 -1,-0.0 -0.291 54.6 -91.3 -64.4 155.4 64.4 28.3 1.8 121 121 A K - 0 0 180 1,-0.1 2,-0.3 2,-0.0 -73,-0.1 -0.242 38.5-112.8 -68.2 156.8 66.5 25.1 1.8 122 122 A e 0 0 63 -3,-0.1 -1,-0.1 1,-0.1 -77,-0.1 -0.648 360.0 360.0 -88.9 146.7 65.0 21.8 3.0 123 123 A D 0 0 200 -2,-0.3 -1,-0.1 -78,-0.0 -2,-0.0 -0.105 360.0 360.0 -73.2 360.0 66.4 20.2 6.1 124 !* 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 0.0 125 1 B G > 0 0 2 0, 0.0 4,-2.7 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-179.3 58.7 46.6 -5.4 126 2 B I H > + 0 0 73 59,-2.3 4,-2.6 1,-0.3 5,-0.2 0.843 360.0 49.1 -39.1 -51.2 55.2 45.3 -5.7 127 3 B L H > S+ 0 0 35 58,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.930 112.8 46.5 -59.3 -47.1 56.0 42.0 -4.0 128 4 B E H > S+ 0 0 7 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.874 111.6 52.7 -63.0 -38.2 57.7 43.8 -1.1 129 5 B L H X S+ 0 0 36 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.936 112.0 44.0 -62.8 -47.9 54.8 46.2 -0.8 130 6 B A H X S+ 0 0 9 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.909 116.2 49.8 -63.9 -41.6 52.3 43.4 -0.6 131 7 B G H X S+ 0 0 7 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.961 109.8 47.2 -62.5 -53.7 54.6 41.5 1.8 132 8 B T H X S+ 0 0 0 -4,-3.3 4,-1.7 1,-0.2 5,-0.3 0.864 114.1 48.6 -57.8 -38.6 55.2 44.4 4.2 133 9 B V H X S+ 0 0 8 -4,-1.9 4,-2.3 -5,-0.2 6,-0.2 0.897 113.2 46.6 -68.6 -41.3 51.5 45.2 4.4 134 10 B G H < S+ 0 0 0 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.899 109.0 57.3 -66.8 -39.6 50.5 41.6 5.0 135 11 B i H < S+ 0 0 1 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.922 119.5 25.7 -54.9 -53.0 53.2 41.2 7.6 136 12 B V H < S+ 0 0 25 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.861 111.0 75.1 -84.2 -40.4 52.0 44.1 9.9 137 13 B G S < S- 0 0 3 -4,-2.3 86,-0.1 -5,-0.3 -31,-0.1 -0.093 74.8-125.3 -75.6 173.1 48.3 44.3 9.0 138 14 B P S S+ 0 0 80 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 0.268 86.0 50.0 -97.3 5.2 45.2 42.2 9.9 139 15 B R S S- 0 0 44 -6,-0.2 -2,-0.1 -33,-0.1 -33,-0.1 -0.944 93.5 -77.8-144.5 164.9 44.0 41.6 6.4 140 16 B T > - 0 0 43 -2,-0.3 3,-1.8 1,-0.1 4,-0.1 -0.314 37.3-127.5 -61.2 143.1 45.0 40.4 2.9 141 17 B P G > S+ 0 0 16 0, 0.0 3,-2.3 0, 0.0 4,-0.2 0.779 106.0 74.3 -61.2 -28.4 47.0 43.1 0.9 142 18 B I G > S+ 0 0 72 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.712 78.0 76.8 -58.8 -20.1 44.5 42.5 -1.9 143 19 B A G < S+ 0 0 14 -3,-1.8 -1,-0.3 1,-0.3 3,-0.1 0.631 98.1 43.5 -67.1 -13.9 42.0 44.5 0.2 144 20 B Y G < S+ 0 0 20 -3,-2.3 3,-0.5 -4,-0.1 -1,-0.3 0.290 81.2 102.8-113.9 8.3 43.8 47.7 -0.9 145 21 B M S < S+ 0 0 119 -3,-1.4 2,-0.3 1,-0.3 8,-0.2 0.915 103.0 6.1 -56.8 -46.7 44.2 46.9 -4.5 146 22 B K S S+ 0 0 61 -4,-0.4 87,-2.4 6,-0.1 2,-0.3 -0.841 92.6 133.7-142.2 98.3 41.3 49.2 -5.5 147 23 B Y B > -DE 151 232C 0 4,-2.0 4,-1.7 -3,-0.5 3,-0.4 -0.992 58.3 -22.5-151.3 139.1 39.9 51.2 -2.6 148 24 B G T 4 S- 0 0 1 83,-2.1 86,-0.1 -2,-0.3 91,-0.1 -0.168 99.4 -56.0 60.2-154.3 39.0 54.8 -2.0 149 25 B j T 4 S+ 0 0 12 9,-0.1 7,-1.1 1,-0.1 -1,-0.2 0.560 134.1 32.6 -98.4 -11.3 40.5 57.6 -4.2 150 26 B F T 4 S+ 0 0 4 -3,-0.4 2,-0.9 5,-0.2 -2,-0.2 0.603 86.3 96.2-121.6 -16.5 44.2 56.8 -3.6 151 27 B k B < S+D 147 0C 5 -4,-1.7 -4,-2.0 2,-0.0 2,-0.2 -0.695 85.7 21.6 -82.5 107.2 44.6 53.0 -3.0 152 28 B G S S- 0 0 33 -2,-0.9 -6,-0.1 -6,-0.2 -7,-0.1 -0.435 114.8 -14.8 121.9 162.5 45.7 51.6 -6.3 153 29 B L S S- 0 0 174 -8,-0.2 -2,-0.0 -2,-0.2 0, 0.0 0.071 118.7 -11.1 -31.9 126.2 47.2 52.9 -9.6 154 30 B G S S- 0 0 60 1,-0.1 2,-0.2 17,-0.0 -2,-0.0 0.011 71.9-160.0 67.2-178.6 47.0 56.7 -9.5 155 31 B G + 0 0 36 -4,-0.1 2,-0.3 16,-0.0 -5,-0.2 -0.578 17.3 157.3 162.4 133.7 45.0 58.7 -7.1 156 32 B H + 0 0 83 -7,-1.1 2,-0.2 -2,-0.2 86,-0.1 -0.980 36.8 51.1-165.2 155.3 43.4 62.2 -6.6 157 33 B G S S- 0 0 0 -2,-0.3 82,-0.1 84,-0.3 -8,-0.0 -0.708 94.0 -27.8 112.2-165.3 40.7 63.9 -4.6 158 34 B Q - 0 0 92 -2,-0.2 82,-0.1 85,-0.2 -9,-0.1 -0.795 69.4-112.5 -92.4 117.8 39.8 64.1 -0.9 159 35 B P - 0 0 7 0, 0.0 6,-0.1 0, 0.0 -11,-0.1 -0.216 23.1-148.4 -48.0 132.2 40.9 60.9 0.9 160 36 B R - 0 0 52 1,-0.1 2,-0.3 71,-0.1 3,-0.1 0.809 64.7 -18.4 -77.0 -32.2 37.7 59.2 2.0 161 37 B D S > S- 0 0 20 1,-0.1 4,-1.5 70,-0.0 5,-0.1 -0.876 82.7 -68.6-157.4-170.5 39.0 57.6 5.2 162 38 B A H >> S+ 0 0 53 -2,-0.3 4,-2.2 2,-0.2 3,-0.8 0.950 127.6 48.4 -56.2 -54.6 41.9 56.5 7.2 163 39 B I H 3> S+ 0 0 0 63,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.920 111.8 50.8 -52.0 -46.6 42.9 53.7 4.9 164 40 B D H 3> S+ 0 0 0 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.758 106.8 54.6 -64.9 -25.7 42.6 56.1 2.0 165 41 B W H XX S+ 0 0 114 -4,-1.5 4,-2.4 -3,-0.8 3,-0.5 0.887 104.5 53.8 -73.8 -39.6 44.9 58.6 3.8 166 42 B l H 3X S+ 0 0 8 -4,-2.2 4,-1.7 1,-0.3 -2,-0.2 0.898 108.2 49.7 -60.1 -40.9 47.5 56.0 4.2 167 43 B k H 3X S+ 0 0 6 -4,-1.8 4,-1.2 2,-0.2 -1,-0.3 0.695 107.8 56.8 -71.6 -18.3 47.4 55.4 0.5 168 44 B H H X S+ 0 0 68 -4,-1.8 4,-1.7 -3,-0.2 3,-1.1 0.987 107.2 42.9 -63.8 -59.8 56.6 60.1 -5.8 176 52 B R H >X S+ 0 0 108 -4,-2.0 4,-0.8 1,-0.3 3,-0.5 0.923 109.1 60.9 -50.4 -48.5 59.8 61.5 -4.2 177 53 B A H 3<>S+ 0 0 2 -4,-2.1 5,-1.6 1,-0.3 3,-0.5 0.826 105.8 46.7 -48.7 -37.8 61.3 58.0 -4.6 178 54 B E H X<5S+ 0 0 103 -4,-1.3 3,-1.9 -3,-1.1 -1,-0.3 0.826 104.0 60.7 -75.3 -33.2 60.9 58.3 -8.3 179 55 B E H <<5S+ 0 0 158 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.610 100.8 57.4 -68.9 -10.7 62.4 61.8 -8.3 180 56 B A T 3<5S- 0 0 50 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.230 128.6 -96.8-102.3 11.1 65.5 60.2 -6.9 181 57 B G T < 5S+ 0 0 65 -3,-1.9 2,-0.2 1,-0.3 -3,-0.2 0.714 82.1 134.4 82.3 21.1 65.9 57.9 -9.9 182 58 B o < - 0 0 7 -5,-1.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.676 53.8-138.4-103.6 159.5 64.1 54.9 -8.2 183 59 B S >> - 0 0 56 -2,-0.2 4,-1.8 1,-0.1 3,-1.2 -0.732 15.9-172.7-117.7 79.5 61.5 52.5 -9.5 184 60 B P T 34 S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -9,-0.0 0.697 84.1 48.2 -42.6 -29.6 59.0 52.1 -6.6 185 61 B K T 34 S+ 0 0 131 -60,-0.2 -59,-2.3 -3,-0.1 -58,-0.2 0.814 125.4 20.4 -87.7 -30.3 57.1 49.4 -8.5 186 62 B T T <4 S+ 0 0 106 -3,-1.2 -59,-0.1 -61,-0.2 -1,-0.0 0.857 87.9 104.4-106.1 -48.7 60.0 47.2 -9.7 187 63 B E < - 0 0 42 -4,-1.8 2,-0.1 1,-0.1 -5,-0.0 -0.080 60.2-142.1 -43.5 124.1 63.2 47.7 -7.6 188 64 B R + 0 0 121 -61,-0.1 2,-0.3 -60,-0.0 23,-0.1 -0.372 23.1 174.4 -84.6 166.0 63.7 44.8 -5.2 189 65 B Y - 0 0 11 -2,-0.1 2,-0.3 22,-0.1 14,-0.1 -0.951 30.5-103.6-170.3 152.6 65.1 45.1 -1.7 190 66 B S + 0 0 66 12,-0.5 11,-2.1 -2,-0.3 2,-0.3 -0.658 46.3 144.4 -89.0 136.9 65.8 43.0 1.4 191 67 B W E -F 200 0D 50 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.958 30.6-140.3-158.4 165.6 63.6 43.1 4.5 192 68 B Q E -F 199 0D 116 7,-2.4 7,-2.6 -2,-0.3 2,-0.9 -0.989 10.9-138.6-138.5 145.7 62.3 40.8 7.2 193 69 B i E > +F 198 0D 54 -2,-0.3 2,-0.6 5,-0.2 3,-0.5 -0.742 30.9 176.1-103.9 84.6 59.0 40.3 8.9 194 70 B V T 3 S- 0 0 77 3,-1.5 3,-0.4 -2,-0.9 -2,-0.1 -0.795 72.0 -15.3 -93.6 124.0 60.0 39.7 12.6 195 71 B N T 3 S- 0 0 151 -2,-0.6 -1,-0.3 1,-0.2 3,-0.1 0.912 126.6 -58.2 52.0 47.8 57.1 39.3 15.0 196 72 B Q S < S+ 0 0 97 -3,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.909 115.0 118.0 47.2 49.5 54.8 40.8 12.4 197 73 B S - 0 0 58 -3,-0.4 -3,-1.5 -5,-0.0 2,-0.3 -0.978 68.2-115.8-145.7 128.9 56.9 43.9 12.2 198 74 B V E -F 193 0D 9 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.517 26.3-170.0 -73.4 125.9 58.7 45.2 9.2 199 75 B L E -F 192 0D 88 -7,-2.6 -7,-2.4 -2,-0.3 2,-0.3 -0.972 12.0-149.0-116.3 121.4 62.5 45.3 9.4 200 76 B p E -F 191 0D 52 -2,-0.5 -9,-0.2 -9,-0.2 3,-0.2 -0.724 31.8 -39.3 -95.4 140.0 64.3 47.1 6.6 201 77 B G - 0 0 20 -11,-2.1 2,-0.1 -2,-0.3 -2,-0.1 -0.343 24.8-142.5 112.4 166.8 67.8 46.2 5.3 202 78 B P - 0 0 103 0, 0.0 2,-0.7 0, 0.0 -12,-0.5 0.404 61.7-154.6 -70.7 138.2 70.5 45.5 4.4 203 79 B A - 0 0 56 -3,-0.2 3,-0.1 1,-0.1 -14,-0.1 -0.758 13.8-167.6 -89.6 115.5 70.2 48.3 1.8 204 80 B E S S- 0 0 165 -2,-0.7 2,-0.3 1,-0.2 -1,-0.1 0.670 75.4 -2.2 -72.6 -19.2 72.4 47.7 -1.2 205 81 B N S >> S- 0 0 80 1,-0.1 4,-1.3 0, 0.0 3,-0.9 -0.973 84.8 -88.7-165.5 161.6 71.8 51.3 -2.4 206 82 B K H >> S+ 0 0 139 -2,-0.3 4,-2.3 1,-0.3 3,-0.5 0.862 120.0 58.5 -43.4 -50.4 69.8 54.4 -1.5 207 83 B o H 3> S+ 0 0 13 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.893 101.7 54.6 -50.3 -45.6 66.7 53.4 -3.5 208 84 B Q H <> S+ 0 0 26 -3,-0.9 4,-1.9 1,-0.2 -1,-0.3 0.899 108.7 49.9 -56.4 -40.5 66.4 50.2 -1.4 209 85 B E H < S+ 0 0 40 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.916 113.5 43.6 -61.2 -46.3 49.6 53.1 8.8 222 98 B L H >< S+ 0 0 2 -4,-3.5 3,-1.5 1,-0.2 -2,-0.2 0.858 99.7 69.5 -68.9 -38.2 47.2 50.5 7.4 223 99 B A T 3< S+ 0 0 34 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.633 98.4 54.6 -57.9 -12.8 47.5 48.1 10.3 224 100 B Q T < S+ 0 0 156 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.3 -0.088 92.5 89.4-114.4 34.1 45.7 50.6 12.5 225 101 B T < - 0 0 19 -3,-1.5 2,-0.4 -63,-0.1 -3,-0.0 -0.866 67.0-125.3-129.3 162.4 42.5 51.1 10.5 226 102 B E - 0 0 170 -2,-0.3 2,-0.6 2,-0.0 -63,-0.3 -0.835 33.9-114.2-104.3 146.1 39.0 49.7 10.2 227 103 B Y - 0 0 59 -2,-0.4 2,-0.8 -65,-0.1 3,-0.1 -0.717 19.7-159.0 -89.1 114.9 37.8 48.6 6.7 228 104 B N > - 0 0 70 -2,-0.6 3,-1.6 1,-0.2 4,-0.2 -0.817 5.6-158.7 -92.1 108.6 34.9 50.5 5.2 229 105 B L G > S+ 0 0 129 -2,-0.8 3,-1.8 1,-0.3 -1,-0.2 0.795 83.0 69.5 -57.4 -33.8 33.4 48.1 2.6 230 106 B K G 3 S+ 0 0 154 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.655 94.8 56.9 -64.1 -13.6 31.7 50.9 0.6 231 107 B Y G X S+ 0 0 25 -3,-1.6 -83,-2.1 3,-0.1 3,-1.5 0.515 76.6 109.0 -95.6 -4.2 35.1 52.2 -0.6 232 108 B L B < S-E 147 0C 52 -3,-1.8 -85,-0.2 1,-0.3 -88,-0.1 -0.616 100.9 -1.1 -72.8 120.5 36.2 48.9 -2.1 233 109 B F T 3 S- 0 0 133 -87,-2.4 -1,-0.3 -2,-0.5 -86,-0.2 0.896 94.6-172.6 64.4 40.7 36.1 49.5 -5.9 234 110 B Y < - 0 0 38 -3,-1.5 2,-0.7 -86,-0.1 -1,-0.2 -0.369 33.9 -99.4 -65.1 142.6 34.9 53.0 -5.3 235 111 B P > - 0 0 46 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.541 28.8-155.8 -69.4 109.5 33.8 54.9 -8.4 236 112 B Q G > S+ 0 0 106 -2,-0.7 3,-2.8 1,-0.3 -80,-0.1 0.795 88.9 71.5 -56.5 -30.2 36.8 57.1 -9.3 237 113 B F G 3 S+ 0 0 172 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.553 92.2 60.9 -65.9 -2.4 34.6 59.5 -11.2 238 114 B L G < S+ 0 0 84 -3,-2.2 2,-0.6 2,-0.1 -1,-0.3 0.366 81.7 105.0-100.5 0.3 33.4 60.5 -7.8 239 115 B j S < S- 0 0 13 -3,-2.8 -82,-0.1 -4,-0.1 -84,-0.0 -0.755 76.6-118.0 -90.2 119.7 36.9 61.6 -6.7 240 116 B E - 0 0 73 -2,-0.6 -1,-0.1 -82,-0.1 -2,-0.1 -0.015 15.4-124.6 -49.9 154.3 37.3 65.4 -6.6 241 117 B P S S+ 0 0 116 0, 0.0 2,-0.4 0, 0.0 -84,-0.3 0.910 91.5 72.4 -69.3 -46.6 39.9 67.0 -9.0 242 118 B D - 0 0 142 -86,-0.1 -2,-0.1 -84,-0.0 -86,-0.1 -0.607 68.8-162.9 -79.0 126.9 41.8 68.8 -6.2 243 119 B S - 0 0 55 -2,-0.4 -85,-0.2 -87,-0.1 -87,-0.0 -0.839 24.4-100.7-110.0 146.2 44.0 66.5 -4.1 244 120 B P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.033 45.2 -89.0 -59.3 165.0 45.5 67.4 -0.7 245 121 B K - 0 0 190 1,-0.1 2,-0.1 2,-0.0 -73,-0.1 -0.424 41.6-111.6 -78.4 151.3 49.1 68.5 -0.1 246 122 B m 0 0 50 -2,-0.1 -1,-0.1 -74,-0.1 -77,-0.1 -0.376 360.0 360.0 -80.9 160.7 51.9 66.0 0.6 247 123 B D 0 0 196 -2,-0.1 -75,-0.0 -78,-0.1 -2,-0.0 -0.006 360.0 360.0 78.9 360.0 53.9 65.6 3.8