==== 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 06-AUG-10 3OBC . COMPND 2 MOLECULE: PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 215 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 83.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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-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 . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 2 0 0 0 0 4 0 0 2 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -7 A K 0 0 132 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.6 4.3 35.3 -10.7 2 -6 A I - 0 0 153 2,-0.0 2,-0.5 1,-0.0 0, 0.0 -0.734 360.0-127.9 -93.2 138.7 1.8 32.9 -9.0 3 -5 A H - 0 0 120 -2,-0.3 2,-0.6 108,-0.1 108,-0.2 -0.759 20.4-166.7 -88.6 126.7 2.7 31.1 -5.8 4 -4 A H E -a 111 0A 90 106,-3.6 108,-3.1 -2,-0.5 2,-0.4 -0.930 4.8-165.0-117.6 105.2 2.2 27.3 -5.9 5 -3 A H E -a 112 0A 91 -2,-0.6 2,-0.5 106,-0.2 108,-0.2 -0.768 6.6-151.1 -93.9 133.7 2.4 25.7 -2.4 6 -2 A H E -a 113 0A 33 106,-3.2 108,-1.9 -2,-0.4 2,-1.1 -0.922 1.9-157.5-108.1 120.6 2.8 21.9 -2.2 7 -1 A H E > +a 114 0A 103 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 -0.607 23.1 165.0 -96.5 71.5 1.3 20.2 0.9 8 0 A H H > S+ 0 0 55 -2,-1.1 4,-1.7 106,-0.6 -1,-0.2 0.812 75.6 54.9 -58.3 -31.1 3.4 17.0 0.9 9 1 A X H > S+ 0 0 20 105,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.950 108.4 46.2 -68.3 -48.5 2.3 16.3 4.6 10 2 A E H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.834 110.2 56.5 -62.3 -31.5 -1.5 16.5 3.7 11 3 A E H X S+ 0 0 102 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.885 106.5 48.0 -69.1 -36.1 -0.7 14.2 0.7 12 4 A L H X S+ 0 0 4 -4,-1.7 4,-1.8 2,-0.2 3,-0.4 0.954 110.3 51.9 -66.3 -47.8 0.8 11.6 3.0 13 5 A L H X S+ 0 0 18 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.847 104.7 58.3 -54.0 -38.4 -2.3 11.8 5.3 14 6 A D H X S+ 0 0 70 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.913 103.5 50.6 -61.3 -41.7 -4.5 11.3 2.2 15 7 A I H X S+ 0 0 69 -4,-1.4 4,-2.0 -3,-0.4 -2,-0.2 0.940 114.1 45.3 -58.5 -48.7 -2.8 7.9 1.4 16 8 A L H X S+ 0 0 4 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.919 113.6 48.4 -60.8 -48.1 -3.4 6.8 5.1 17 9 A R H X S+ 0 0 64 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.888 110.9 51.3 -60.0 -43.6 -7.0 8.1 5.1 18 10 A E H X S+ 0 0 123 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.906 112.6 45.5 -61.8 -43.4 -7.8 6.3 1.8 19 11 A F H X S+ 0 0 12 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.922 116.1 46.3 -64.2 -49.2 -6.4 3.0 3.1 20 12 A R H <>S+ 0 0 17 -4,-2.5 5,-2.5 2,-0.2 3,-0.5 0.931 118.0 40.5 -57.5 -53.0 -8.2 3.3 6.4 21 13 A D H ><5S+ 0 0 79 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.868 107.8 59.7 -74.1 -33.7 -11.6 4.3 4.9 22 14 A S H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.725 112.9 41.0 -64.8 -25.2 -11.5 1.9 1.9 23 15 A R T 3<5S- 0 0 38 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.437 111.3-121.5-102.2 0.5 -11.3 -1.0 4.4 24 16 A G T < 5 + 0 0 42 -3,-1.0 -3,-0.2 -4,-0.4 3,-0.2 0.903 69.0 135.5 59.5 44.9 -13.8 0.5 6.9 25 17 A W >>< + 0 0 97 -5,-2.5 3,-1.6 1,-0.1 4,-0.6 0.445 36.9 94.5-103.8 -0.0 -11.3 0.4 9.7 26 18 A L G >4 S+ 0 0 81 -6,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.842 76.3 66.6 -57.4 -36.0 -12.0 4.0 11.1 27 19 A K G 34 S+ 0 0 159 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.726 101.2 49.2 -59.6 -22.0 -14.4 2.4 13.7 28 20 A Y G <4 S+ 0 0 132 -3,-1.6 2,-2.0 1,-0.2 -1,-0.3 0.625 86.3 94.5 -88.0 -18.3 -11.3 0.6 15.3 29 21 A H << + 0 0 21 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.1 -0.263 50.2 153.2 -79.4 57.1 -9.3 3.9 15.4 30 22 A T > - 0 0 14 -2,-2.0 4,-2.2 -3,-0.1 5,-0.2 -0.402 57.9-109.2 -75.2 156.9 -10.2 4.9 19.0 31 23 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.917 119.3 44.9 -55.5 -46.3 -7.6 7.2 20.8 32 24 A K H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.884 111.0 53.7 -65.9 -40.4 -6.5 4.4 23.2 33 25 A N H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 112.0 45.0 -61.8 -39.9 -6.4 1.7 20.4 34 26 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 112.5 49.9 -72.2 -40.2 -4.1 3.9 18.3 35 27 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.923 113.0 48.4 -61.3 -40.2 -1.9 4.8 21.4 36 28 A V H X S+ 0 0 56 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.916 109.4 53.6 -64.4 -39.2 -1.7 1.0 22.1 37 29 A S H X S+ 0 0 29 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.887 108.3 48.6 -64.7 -38.9 -0.8 0.4 18.4 38 30 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.923 110.1 52.6 -65.1 -42.3 2.1 2.9 18.6 39 31 A S H X S+ 0 0 40 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.915 109.6 48.9 -59.4 -43.9 3.3 1.1 21.8 40 32 A I H X S+ 0 0 87 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.920 112.7 47.2 -60.7 -46.6 3.2 -2.3 20.0 41 33 A E H X S+ 0 0 21 -4,-2.1 4,-1.9 1,-0.2 3,-0.2 0.891 107.5 54.4 -67.8 -38.8 5.2 -0.9 17.0 42 34 A V H X S+ 0 0 2 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.877 107.0 53.3 -62.3 -34.6 7.9 0.9 19.2 43 35 A A H X S+ 0 0 54 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.844 105.7 52.7 -68.2 -31.9 8.5 -2.5 20.9 44 36 A E H X S+ 0 0 82 -4,-1.3 4,-0.7 -3,-0.2 -2,-0.2 0.879 111.4 47.6 -69.7 -32.4 9.0 -4.1 17.4 45 37 A L H >X S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 4,-0.5 0.943 112.5 48.4 -69.4 -45.4 11.6 -1.3 16.8 46 38 A L H >< S+ 0 0 39 -4,-2.8 3,-1.2 1,-0.2 4,-0.3 0.822 100.4 66.4 -62.6 -37.3 13.2 -2.0 20.2 47 39 A E H >< S+ 0 0 100 -4,-2.1 3,-1.1 1,-0.3 4,-0.3 0.803 89.9 65.3 -55.7 -33.6 13.4 -5.7 19.6 48 40 A I H << S+ 0 0 8 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.867 113.2 32.2 -58.2 -35.6 15.9 -5.1 16.7 49 41 A F T X< S+ 0 0 1 -3,-1.2 3,-1.8 -4,-0.5 -1,-0.2 0.282 85.2 126.0-104.8 9.8 18.4 -3.9 19.3 50 42 A Q T < S+ 0 0 93 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.792 79.8 25.5 -37.4 -61.4 17.3 -6.2 22.2 51 43 A W T 3 S+ 0 0 206 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.240 84.0 133.5-101.6 16.9 20.6 -7.8 23.2 52 44 A T < - 0 0 16 -3,-1.8 3,-0.1 1,-0.1 -3,-0.0 -0.283 35.5-166.4 -64.5 146.4 23.2 -5.2 22.0 53 45 A R + 0 0 221 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.260 62.9 30.6-122.5 10.4 25.9 -4.5 24.6 54 46 A S S > S- 0 0 47 1,-0.1 4,-1.9 0, 0.0 -1,-0.2 -0.966 73.2-117.0-163.7 153.3 27.6 -1.3 23.3 55 47 A S H > S+ 0 0 59 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.887 119.0 56.9 -56.2 -39.2 26.8 1.9 21.3 56 48 A D H > S+ 0 0 126 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.922 106.8 46.7 -57.1 -48.7 29.4 0.5 18.7 57 49 A E H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.829 105.0 61.8 -65.6 -33.1 27.4 -2.8 18.3 58 50 A E H X S+ 0 0 14 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.894 104.1 47.4 -60.9 -41.5 24.1 -0.8 18.0 59 51 A F H X S+ 0 0 94 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.792 110.2 53.4 -71.7 -25.8 25.3 0.9 14.8 60 52 A E H X S+ 0 0 113 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.924 112.2 43.8 -72.3 -40.0 26.5 -2.4 13.4 61 53 A V H X S+ 0 0 16 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.921 111.3 55.0 -69.1 -41.8 23.0 -3.9 14.0 62 54 A L H < S+ 0 0 10 -4,-2.7 7,-0.2 1,-0.2 -2,-0.2 0.923 111.2 44.7 -55.9 -45.7 21.4 -0.7 12.5 63 55 A E H >< S+ 0 0 77 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.908 116.5 45.4 -66.2 -43.5 23.5 -1.2 9.3 64 56 A R H 3< S+ 0 0 175 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.774 126.1 29.9 -69.7 -34.4 22.8 -5.0 9.0 65 57 A R T >X S+ 0 0 76 -4,-2.5 4,-1.9 -5,-0.2 3,-0.6 -0.070 76.1 131.6-121.0 35.3 19.1 -4.7 9.7 66 58 A K H <> S+ 0 0 81 -3,-0.8 4,-2.7 1,-0.2 5,-0.1 0.839 72.2 56.8 -58.9 -37.5 18.4 -1.2 8.3 67 59 A G H 3> S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 107.9 47.4 -59.9 -40.8 15.3 -2.4 6.3 68 60 A E H <> S+ 0 0 88 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.890 112.1 49.7 -67.9 -40.9 13.7 -3.7 9.5 69 61 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.930 109.3 52.7 -62.9 -44.7 14.4 -0.4 11.4 70 62 A E H X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.892 109.3 49.3 -57.4 -44.0 12.9 1.5 8.5 71 63 A E H X S+ 0 0 55 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.892 112.2 46.6 -64.6 -43.4 9.7 -0.6 8.6 72 64 A E H X S+ 0 0 25 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.860 110.9 51.7 -71.6 -32.8 9.2 -0.2 12.4 73 65 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.936 111.7 48.7 -63.5 -43.5 9.8 3.6 12.2 74 66 A A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.926 110.5 50.8 -61.2 -43.9 7.1 3.7 9.4 75 67 A D H X S+ 0 0 8 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.913 110.6 48.4 -62.2 -44.2 4.7 1.6 11.6 76 68 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.957 115.4 44.5 -59.6 -49.6 5.2 4.0 14.6 77 69 A L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.892 108.7 57.2 -65.0 -43.0 4.7 7.1 12.4 78 70 A I H X S+ 0 0 7 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.954 112.4 40.1 -51.5 -56.0 1.6 5.6 10.6 79 71 A Y H X S+ 0 0 69 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.849 113.4 55.5 -66.3 -32.4 -0.3 5.0 13.8 80 72 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.913 110.8 44.7 -64.8 -41.5 0.9 8.4 15.2 81 73 A L H X S+ 0 0 2 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.869 109.9 55.1 -70.6 -35.8 -0.5 10.2 12.2 82 74 A F H X S+ 0 0 11 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.890 110.1 47.5 -61.2 -37.7 -3.8 8.1 12.4 83 75 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.930 108.4 54.0 -69.3 -42.7 -4.1 9.4 16.0 84 76 A C H X>S+ 0 0 5 -4,-2.3 5,-2.5 1,-0.2 4,-0.7 0.863 109.5 49.6 -57.2 -38.7 -3.4 13.0 14.9 85 77 A D H ><5S+ 0 0 32 -4,-2.1 3,-0.5 3,-0.2 -1,-0.2 0.942 114.2 42.1 -66.3 -49.2 -6.2 12.7 12.4 86 78 A V H 3<5S+ 0 0 31 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.887 121.0 42.9 -66.6 -36.1 -8.8 11.3 15.0 87 79 A A H 3<5S- 0 0 5 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.495 106.2-126.9 -87.7 -6.8 -7.6 13.8 17.7 88 80 A E T <<5 + 0 0 170 -4,-0.7 2,-0.4 -3,-0.5 -3,-0.2 0.952 57.2 150.8 54.8 50.8 -7.5 16.8 15.2 89 81 A I < - 0 0 13 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.957 46.8-139.7-114.4 132.7 -3.9 17.5 16.2 90 82 A N > - 0 0 92 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 -0.844 13.4-162.4 -89.2 109.8 -1.3 19.1 13.9 91 83 A P H > S+ 0 0 9 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.832 87.6 54.6 -67.5 -30.1 2.0 17.1 14.8 92 84 A I H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.926 112.2 42.9 -65.1 -47.1 4.3 19.7 13.2 93 85 A E H > S+ 0 0 42 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.857 112.2 55.6 -66.3 -36.5 2.7 22.5 15.4 94 86 A A H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.934 109.4 46.0 -61.3 -46.1 2.8 20.2 18.4 95 87 A V H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.922 111.7 50.4 -62.4 -48.8 6.6 19.6 17.9 96 88 A K H X S+ 0 0 110 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.893 112.4 48.5 -58.0 -40.7 7.4 23.3 17.4 97 89 A R H X S+ 0 0 87 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.901 113.1 46.3 -65.2 -45.8 5.4 24.2 20.6 98 90 A K H X S+ 0 0 21 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.876 110.3 53.4 -67.0 -36.7 7.2 21.4 22.7 99 91 A X H X S+ 0 0 7 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.883 107.5 51.6 -67.2 -34.7 10.6 22.5 21.4 100 92 A E H X S+ 0 0 138 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.910 111.5 47.4 -65.3 -39.9 9.9 26.1 22.5 101 93 A K H X S+ 0 0 110 -4,-1.8 4,-1.6 1,-0.2 3,-0.4 0.918 110.7 51.8 -65.4 -43.3 9.0 24.7 26.0 102 94 A N H X S+ 0 0 39 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.836 104.2 58.3 -61.7 -35.1 12.2 22.6 26.0 103 95 A E H < S+ 0 0 61 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.862 109.6 43.1 -63.8 -37.3 14.3 25.8 25.1 104 96 A R H < S+ 0 0 127 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.776 116.9 46.4 -78.3 -31.7 13.0 27.5 28.3 105 97 A K H < S+ 0 0 76 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.837 124.5 32.1 -79.7 -36.8 13.4 24.4 30.5 106 98 A Y S < S- 0 0 39 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.733 89.9-169.4-118.0 75.2 17.0 23.6 29.2 107 99 A P 0 0 93 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.257 360.0 360.0 -69.8 159.5 18.4 27.2 28.4 108 100 A K 0 0 203 -5,-0.1 23,-0.1 0, 0.0 22,-0.0 -0.416 360.0 360.0 -70.3 360.0 21.6 27.8 26.5 109 !* 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 0.0 110 -6 B I 0 0 58 0, 0.0 -106,-3.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 103.4 7.0 30.2 -7.8 111 -5 B H E -a 4 0A 123 -108,-0.2 2,-0.6 -106,-0.1 -106,-0.2 -0.820 360.0-167.9-100.7 127.5 6.9 26.7 -6.3 112 -4 B H E -a 5 0A 68 -108,-3.1 -106,-3.2 -2,-0.5 2,-0.8 -0.946 4.0-163.7-114.9 110.2 7.0 26.1 -2.5 113 -3 B H E -a 6 0A 92 -2,-0.6 2,-0.8 -108,-0.2 -106,-0.1 -0.849 10.6-151.9 -98.0 103.5 7.7 22.5 -1.5 114 -2 B H E +a 7 0A 44 -108,-1.9 -106,-0.6 -2,-0.8 2,-0.6 -0.717 20.8 172.9 -80.9 106.5 6.7 22.1 2.2 115 -1 B H > + 0 0 86 -2,-0.8 4,-2.0 1,-0.1 3,-0.4 -0.784 5.1 175.7-110.5 77.3 8.8 19.3 3.8 116 0 B H H > S+ 0 0 50 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.777 74.5 52.5 -58.3 -36.2 7.7 19.8 7.4 117 1 B X H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 110.8 49.0 -67.4 -40.7 9.6 16.7 8.9 118 2 B E H > S+ 0 0 135 -3,-0.4 4,-1.2 2,-0.2 -2,-0.2 0.905 112.8 47.7 -60.1 -45.8 12.8 18.0 7.3 119 3 B E H X S+ 0 0 84 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.862 110.5 51.4 -64.8 -42.1 12.1 21.5 8.7 120 4 B L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 3,-0.4 0.932 104.2 58.1 -60.5 -46.3 11.4 20.1 12.2 121 5 B L H X S+ 0 0 26 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.840 101.1 56.3 -54.8 -34.3 14.7 18.2 12.1 122 6 B D H X S+ 0 0 85 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.923 109.8 44.5 -64.6 -43.6 16.6 21.5 11.6 123 7 B I H X S+ 0 0 61 -4,-1.3 4,-2.0 -3,-0.4 -2,-0.2 0.922 115.7 48.6 -62.9 -44.0 15.1 22.9 14.8 124 8 B L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.885 110.2 50.1 -65.7 -41.4 15.8 19.6 16.6 125 9 B R H X S+ 0 0 98 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.886 109.8 51.7 -64.0 -41.9 19.5 19.5 15.3 126 10 B E H X S+ 0 0 132 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.913 113.0 44.7 -61.8 -43.7 20.1 23.1 16.6 127 11 B F H X S+ 0 0 19 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.920 116.3 46.1 -65.1 -48.2 18.7 22.2 20.0 128 12 B R H <>S+ 0 0 14 -4,-2.4 5,-2.7 1,-0.2 6,-0.4 0.910 117.9 40.5 -60.8 -49.5 20.6 18.9 20.3 129 13 B D H ><5S+ 0 0 77 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.830 107.0 60.2 -77.8 -31.5 24.0 20.3 19.1 130 14 B S H 3<5S+ 0 0 69 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.769 115.0 38.9 -63.8 -24.4 23.9 23.6 21.0 131 15 B R T 3<5S- 0 0 41 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.454 110.9-123.0-103.4 -1.3 23.7 21.4 24.1 132 16 B G T < 5 + 0 0 40 -3,-0.7 3,-0.2 -4,-0.3 -3,-0.2 0.908 66.7 137.1 59.7 45.9 26.2 18.8 22.9 133 17 B W >>< + 0 0 99 -5,-2.7 3,-1.7 1,-0.2 4,-0.6 0.442 36.5 95.2-103.7 0.4 23.7 15.9 23.4 134 18 B L G >4 S+ 0 0 81 -6,-0.4 3,-1.3 1,-0.3 -1,-0.2 0.841 75.6 67.2 -57.2 -36.3 24.3 14.0 20.1 135 19 B K G 34 S+ 0 0 160 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.723 100.8 49.2 -59.1 -21.8 26.8 11.7 22.0 136 20 B Y G <4 S+ 0 0 134 -3,-1.7 2,-2.0 1,-0.2 -1,-0.3 0.638 86.4 94.5 -88.3 -18.8 23.7 10.3 23.9 137 21 B H << + 0 0 22 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.1 -0.253 49.9 154.1 -78.4 56.7 21.7 9.7 20.7 138 22 B T > - 0 0 8 -2,-2.0 4,-2.2 -3,-0.1 5,-0.2 -0.384 57.2-109.4 -74.7 156.8 22.6 6.1 20.1 139 23 B P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.915 119.3 44.8 -55.3 -45.8 20.0 4.1 18.1 140 24 B K H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.882 110.8 54.0 -66.9 -39.8 18.9 2.0 21.1 141 25 B N H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.876 112.0 45.0 -61.8 -39.4 18.7 5.1 23.5 142 26 B L H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 112.3 50.2 -72.9 -39.7 16.4 6.9 21.0 143 27 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.924 112.9 48.4 -61.6 -39.7 14.2 3.7 20.5 144 28 B V H X S+ 0 0 56 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.914 109.3 53.6 -65.0 -38.5 14.1 3.5 24.4 145 29 B S H X S+ 0 0 27 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.883 108.3 48.6 -65.1 -38.4 13.2 7.3 24.4 146 30 B I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.921 110.0 52.9 -65.6 -42.0 10.3 6.7 22.0 147 31 B S H X S+ 0 0 40 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.917 109.6 48.7 -58.8 -44.0 9.1 3.8 24.2 148 32 B I H X S+ 0 0 86 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.913 112.5 47.8 -61.3 -46.8 9.1 6.0 27.2 149 33 B E H X S+ 0 0 22 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.888 108.0 52.5 -66.9 -40.7 7.1 8.8 25.5 150 34 B V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.826 107.4 54.8 -65.5 -27.1 4.4 6.5 24.0 151 35 B A H X S+ 0 0 52 -4,-1.4 4,-2.2 -5,-0.2 -1,-0.2 0.865 105.5 51.9 -72.4 -30.4 3.8 5.2 27.6 152 36 B E H X S+ 0 0 82 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.875 111.3 48.0 -71.0 -31.4 3.3 8.8 28.7 153 37 B L H >X S+ 0 0 0 -4,-1.8 3,-0.9 1,-0.2 4,-0.5 0.943 112.4 48.1 -69.7 -45.8 0.7 9.1 25.9 154 38 B L H >< S+ 0 0 42 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.827 100.7 66.4 -62.2 -37.5 -0.9 5.8 27.0 155 39 B E H >< S+ 0 0 97 -4,-2.2 3,-1.1 1,-0.3 4,-0.3 0.800 90.0 64.9 -56.1 -33.6 -1.0 6.9 30.6 156 40 B I H << S+ 0 0 6 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.858 112.8 33.3 -59.4 -34.1 -3.6 9.7 29.7 157 41 B F T X< S+ 0 0 0 -3,-1.2 3,-1.7 -4,-0.5 -1,-0.3 0.257 85.1 125.9-103.8 9.5 -6.1 6.9 28.8 158 42 B Q T < S+ 0 0 95 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 0.809 79.3 25.9 -36.8 -61.5 -5.0 4.4 31.4 159 43 B W T 3 S+ 0 0 208 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.241 83.9 133.8-101.4 17.1 -8.3 3.6 33.2 160 44 B T < - 0 0 16 -3,-1.7 3,-0.1 1,-0.1 -3,-0.0 -0.272 34.8-167.2 -64.2 147.0 -10.9 4.4 30.4 161 45 B R + 0 0 222 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.262 63.1 31.0-123.7 9.8 -13.6 1.7 30.1 162 46 B S S > S- 0 0 46 1,-0.1 4,-1.9 0, 0.0 -1,-0.2 -0.968 73.2-117.6-163.0 152.7 -15.2 2.6 26.7 163 47 B S H > S+ 0 0 58 -2,-0.3 4,-1.5 1,-0.2 5,-0.2 0.892 118.7 57.4 -57.5 -37.3 -14.5 4.2 23.4 164 48 B D H > S+ 0 0 117 1,-0.2 4,-1.1 2,-0.2 3,-0.3 0.924 106.6 46.6 -56.9 -48.9 -17.1 6.9 24.4 165 49 B E H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.830 105.1 61.8 -65.6 -33.1 -15.0 7.7 27.6 166 50 B E H X S+ 0 0 15 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.893 104.1 47.6 -60.9 -41.4 -11.7 7.8 25.5 167 51 B F H X S+ 0 0 91 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.794 110.2 53.6 -71.7 -25.0 -13.0 10.7 23.4 168 52 B E H X S+ 0 0 139 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.930 112.0 43.4 -72.8 -43.6 -14.2 12.5 26.6 169 53 B V H X S+ 0 0 29 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.914 111.7 55.1 -64.2 -44.8 -10.6 12.2 28.1 170 54 B L H < S+ 0 0 10 -4,-2.7 7,-0.2 1,-0.2 -2,-0.2 0.924 111.4 44.3 -54.5 -45.7 -9.1 13.2 24.7 171 55 B E H >< S+ 0 0 72 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.925 116.8 45.1 -65.9 -44.9 -11.2 16.4 24.7 172 56 B R H 3< S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.770 125.1 32.0 -69.5 -33.0 -10.5 17.2 28.4 173 57 B R T 3X S+ 0 0 79 -4,-2.7 4,-2.0 -5,-0.2 3,-0.4 -0.114 74.8 132.9-120.2 37.3 -6.7 16.5 28.2 174 58 B K H <> S+ 0 0 87 -3,-0.9 4,-2.6 1,-0.2 5,-0.1 0.857 73.1 55.3 -53.7 -43.7 -6.1 17.6 24.6 175 59 B G H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.878 108.1 47.6 -58.5 -42.0 -3.0 19.6 25.6 176 60 B E H > S+ 0 0 87 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.890 112.2 49.2 -67.1 -42.2 -1.4 16.6 27.3 177 61 B V H X S+ 0 0 0 -4,-2.0 4,-2.4 -7,-0.2 5,-0.2 0.936 109.6 52.7 -62.5 -45.2 -2.1 14.3 24.3 178 62 B E H X S+ 0 0 56 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.891 109.5 49.2 -56.7 -44.3 -0.6 17.0 22.0 179 63 B E H X S+ 0 0 50 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.896 112.2 46.6 -64.4 -43.9 2.7 17.1 24.1 180 64 B E H X S+ 0 0 24 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.861 110.9 51.6 -71.5 -32.8 3.1 13.3 24.2 181 65 B I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.935 111.7 48.8 -63.3 -43.6 2.5 13.0 20.4 182 66 B A H X S+ 0 0 0 -4,-2.2 4,-2.9 -5,-0.2 -2,-0.2 0.921 110.5 50.7 -61.3 -44.2 5.2 15.8 20.0 183 67 B D H X S+ 0 0 6 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.917 110.2 48.9 -61.6 -44.9 7.6 13.9 22.3 184 68 B V H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.954 114.6 45.3 -58.8 -49.8 7.1 10.6 20.3 185 69 B L H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.884 108.4 57.2 -63.4 -41.9 7.8 12.4 17.0 186 70 B I H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.955 112.5 39.6 -54.0 -53.7 10.8 14.4 18.4 187 71 B Y H X S+ 0 0 69 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.857 113.5 55.6 -68.6 -31.9 12.7 11.2 19.3 188 72 B L H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.916 110.8 45.0 -64.1 -41.3 11.5 9.4 16.1 189 73 B L H X S+ 0 0 4 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.888 110.1 54.1 -70.4 -36.7 13.0 12.3 14.0 190 74 B F H X S+ 0 0 9 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.880 110.6 47.6 -62.0 -36.6 16.2 12.2 16.1 191 75 B L H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.930 108.2 54.3 -70.1 -42.0 16.4 8.4 15.3 192 76 B C H X>S+ 0 0 7 -4,-2.3 5,-2.4 1,-0.2 4,-0.7 0.851 108.7 50.7 -57.3 -38.7 15.8 9.1 11.6 193 77 B D H ><5S+ 0 0 26 -4,-2.0 3,-0.6 3,-0.2 -1,-0.2 0.947 114.3 41.1 -64.9 -49.8 18.7 11.5 11.7 194 78 B V H 3<5S+ 0 0 29 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.878 120.7 43.3 -69.5 -32.5 21.2 9.1 13.3 195 79 B A H 3<5S- 0 0 5 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.507 105.9-127.2 -89.2 -6.2 20.0 6.1 11.2 196 80 B E T <<5 + 0 0 164 -4,-0.7 2,-0.4 -3,-0.6 -3,-0.2 0.955 57.1 151.1 54.8 51.1 19.9 8.2 7.9 197 81 B I < - 0 0 12 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.957 47.3-138.9-115.4 132.9 16.2 7.2 7.3 198 82 B N > - 0 0 98 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 -0.842 14.7-162.6 -88.0 109.7 13.6 9.3 5.5 199 83 B P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.838 85.7 55.0 -67.0 -31.4 10.4 8.8 7.6 200 84 B I H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.923 112.6 41.4 -66.5 -45.6 8.1 10.0 4.8 201 85 B E H > S+ 0 0 99 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.859 111.3 57.5 -70.9 -33.9 9.4 7.5 2.3 202 86 B A H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.949 109.9 45.0 -57.6 -46.5 9.5 4.8 5.0 203 87 B V H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.922 112.4 50.9 -63.1 -46.8 5.7 5.4 5.5 204 88 B K H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.927 112.0 46.9 -57.1 -47.6 5.0 5.4 1.7 205 89 B R H X S+ 0 0 168 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.873 113.8 47.8 -64.3 -39.9 6.8 2.1 1.2 206 90 B K H X S+ 0 0 24 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.898 110.5 51.2 -68.6 -38.9 5.1 0.5 4.1 207 91 B X H X S+ 0 0 4 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.889 109.3 51.1 -64.8 -36.9 1.6 1.7 3.0 208 92 B E H X S+ 0 0 108 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.905 111.4 47.8 -65.6 -39.4 2.4 0.2 -0.5 209 93 B K H X S+ 0 0 100 -4,-1.9 4,-1.6 1,-0.2 3,-0.4 0.917 110.6 51.8 -65.1 -43.4 3.3 -3.1 1.2 210 94 B N H X S+ 0 0 39 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.843 104.3 58.1 -61.6 -36.0 0.0 -2.9 3.3 211 95 B E H < S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.857 109.9 42.6 -62.7 -38.0 -2.0 -2.3 0.1 212 96 B R H < S+ 0 0 179 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.757 116.4 47.7 -80.5 -27.4 -0.8 -5.7 -1.4 213 97 B K H < S+ 0 0 77 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.2 0.848 124.2 31.7 -80.7 -37.0 -1.2 -7.6 1.9 214 98 B Y S < S- 0 0 41 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.1 -0.736 90.0-170.5-117.7 75.4 -4.7 -6.2 2.5 215 99 B P 0 0 94 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.274 360.0 360.0 -70.4 160.0 -6.1 -5.8 -1.1 216 100 B K 0 0 189 -5,-0.1 -193,-0.1 0, 0.0 -194,-0.0 -0.404 360.0 360.0 -70.8 360.0 -9.4 -4.0 -1.9