==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-SEP-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 09-SEP-11 3TQU . COMPND 2 MOLECULE: NON-CANONICAL PURINE NTP PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: COXIELLA BURNETII; . AUTHOR J.CHEUNG,M.FRANKLIN,M.RUDOLPH,M.CASSIDY,E.GARY,F.BURSHTEYN,J . 788 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 1 0.1 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 . 59 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 226 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.6 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 4 0 0 4 0 0 0 0 8 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 0 4 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 10 0 0 0 0 0 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 4 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 X 0 0 138 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 117.2 23.9 49.9 125.8 2 2 A L E -a 26 0A 84 23,-1.8 25,-3.1 1,-0.0 2,-0.5 -0.538 360.0-151.7 -67.5 127.1 26.5 50.1 123.0 3 3 A E E +a 27 0A 81 -2,-0.3 2,-0.4 23,-0.2 25,-0.2 -0.912 16.6 178.3-107.1 122.9 25.0 52.1 120.1 4 4 A I E -a 28 0A 5 23,-2.3 25,-2.3 -2,-0.5 2,-0.4 -0.986 23.3-132.5-124.9 131.4 26.2 51.3 116.5 5 5 A V E -ab 29 65A 0 59,-2.8 61,-3.1 -2,-0.4 2,-0.6 -0.652 12.4-146.7 -83.0 132.7 24.9 53.0 113.4 6 6 A L E -ab 30 66A 6 23,-2.4 25,-2.7 -2,-0.4 26,-0.3 -0.888 1.6-158.2 -98.3 121.3 23.9 50.9 110.5 7 7 A A + 0 0 8 59,-2.3 60,-0.1 -2,-0.6 -1,-0.1 0.779 64.5 94.2 -69.7 -25.4 24.6 52.6 107.1 8 8 A S - 0 0 29 58,-0.4 23,-0.3 1,-0.1 24,-0.2 -0.335 57.5-160.4 -74.3 146.0 22.0 50.5 105.3 9 9 A Q + 0 0 123 21,-0.1 2,-0.6 22,-0.1 -1,-0.1 0.282 59.5 119.9 -97.3 5.3 18.4 51.4 104.6 10 10 A N > - 0 0 65 1,-0.2 4,-1.6 2,-0.1 3,-0.2 -0.635 52.4-159.7 -81.6 115.3 17.7 47.8 104.0 11 11 A S H > S+ 0 0 100 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.822 90.6 53.6 -65.3 -34.4 15.1 46.5 106.5 12 12 A S H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.861 106.3 53.9 -69.6 -33.7 16.0 42.8 106.1 13 13 A K H > S+ 0 0 34 -3,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.900 110.0 46.6 -65.8 -40.9 19.7 43.7 106.8 14 14 A L H X S+ 0 0 34 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.924 113.9 48.2 -65.0 -45.3 18.7 45.4 110.1 15 15 A A H X S+ 0 0 51 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.905 109.8 51.6 -62.6 -43.6 16.4 42.5 111.1 16 16 A E H X S+ 0 0 45 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.882 112.2 48.2 -59.7 -37.7 19.0 39.9 110.3 17 17 A X H X S+ 0 0 6 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.910 109.1 50.6 -71.0 -45.5 21.5 41.8 112.5 18 18 A Q H < S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.898 112.9 47.7 -60.6 -40.7 19.1 42.2 115.4 19 19 A E H >< S+ 0 0 118 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.899 111.1 52.4 -63.4 -42.0 18.4 38.5 115.3 20 20 A L H 3< S+ 0 0 45 -4,-1.9 3,-0.3 1,-0.2 -2,-0.2 0.878 119.6 31.6 -62.6 -42.0 22.2 37.8 115.1 21 21 A L T >< S+ 0 0 8 -4,-2.3 3,-2.0 1,-0.2 5,-0.4 0.013 77.3 127.6-109.8 27.8 23.1 39.8 118.2 22 22 A R T < S+ 0 0 159 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.729 75.8 48.6 -59.3 -24.7 19.9 39.3 120.2 23 23 A D T 3 S+ 0 0 134 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.409 98.6 83.0 -99.0 1.9 21.9 38.2 123.3 24 24 A L S < S- 0 0 41 -3,-2.0 2,-1.9 2,-0.1 171,-0.1 -0.765 85.9-116.4-104.8 151.3 24.4 41.0 123.3 25 25 A E S S+ 0 0 134 -2,-0.3 -23,-1.8 2,-0.0 2,-0.4 -0.472 73.2 120.1 -84.9 68.2 23.8 44.5 124.7 26 26 A I E -a 2 0A 29 -2,-1.9 2,-0.5 -5,-0.4 -23,-0.2 -0.997 45.8-159.4-134.0 138.2 24.1 46.3 121.4 27 27 A K E -a 3 0A 100 -25,-3.1 -23,-2.3 -2,-0.4 2,-0.4 -0.963 8.9-152.4-120.4 117.9 21.6 48.5 119.6 28 28 A F E -a 4 0A 16 -2,-0.5 -23,-0.2 -25,-0.2 -25,-0.0 -0.746 9.9-166.8 -89.6 133.2 21.8 49.2 115.9 29 29 A I E -a 5 0A 27 -25,-2.3 -23,-2.4 -2,-0.4 5,-0.1 -0.973 22.4-123.4-122.9 119.2 20.4 52.4 114.6 30 30 A P E > -a 6 0A 28 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.310 23.1-122.6 -57.9 141.4 19.8 53.0 110.8 31 31 A Q G > >S+ 0 0 6 -25,-2.7 3,-2.1 1,-0.3 5,-1.9 0.773 108.8 73.2 -59.6 -24.4 21.7 56.1 109.6 32 32 A T G > 5S+ 0 0 57 -26,-0.3 3,-1.1 1,-0.3 -1,-0.3 0.726 83.9 67.0 -61.0 -21.3 18.3 57.4 108.4 33 33 A E G < 5S+ 0 0 148 -3,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.563 105.3 42.5 -77.2 -7.8 17.5 58.0 112.1 34 34 A F G < 5S- 0 0 82 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.191 118.9-113.5-113.7 7.7 20.2 60.7 112.1 35 35 A S T < 5 + 0 0 109 -3,-1.1 -3,-0.2 1,-0.2 -2,-0.1 0.850 57.4 165.5 57.8 38.2 19.1 62.0 108.7 36 36 A V < - 0 0 9 -5,-1.9 -1,-0.2 1,-0.0 -2,-0.1 -0.742 29.5-136.2 -84.0 125.4 22.3 60.8 107.1 37 37 A P - 0 0 87 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 -0.405 27.7 -93.4 -76.5 157.1 22.1 60.8 103.3 38 38 A D - 0 0 108 -2,-0.1 2,-0.4 1,-0.0 -30,-0.0 -0.391 38.2-142.6 -62.9 146.7 23.5 57.9 101.2 39 39 A I - 0 0 66 -3,-0.1 2,-0.2 -2,-0.1 14,-0.0 -0.897 25.3 -99.1-112.7 146.9 27.0 58.3 100.0 40 40 A E - 0 0 147 -2,-0.4 2,-0.8 1,-0.1 -1,-0.0 -0.406 26.7-130.3 -69.1 132.7 28.2 57.2 96.5 41 41 A E + 0 0 63 -2,-0.2 8,-0.1 1,-0.2 -1,-0.1 -0.744 40.4 158.4 -82.1 109.5 30.0 53.9 96.3 42 42 A T + 0 0 93 -2,-0.8 -1,-0.2 6,-0.1 2,-0.1 0.351 32.7 111.1-116.3 2.7 33.1 54.7 94.2 43 43 A G - 0 0 10 2,-0.1 -2,-0.0 1,-0.1 3,-0.0 -0.353 60.9-142.8 -80.1 159.6 35.4 51.8 95.2 44 44 A S S S+ 0 0 53 -2,-0.1 2,-0.3 284,-0.1 39,-0.3 0.455 86.5 53.6 -99.4 -3.5 36.6 49.0 93.0 45 45 A T S > S- 0 0 0 1,-0.1 4,-1.7 37,-0.1 285,-0.2 -0.939 83.9-123.2-125.7 153.8 36.4 46.5 95.8 46 46 A F H > S+ 0 0 0 283,-2.2 4,-2.8 -2,-0.3 5,-0.2 0.911 113.3 55.9 -57.6 -42.6 33.6 45.6 98.2 47 47 A V H > S+ 0 0 5 282,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.893 104.6 52.4 -61.6 -39.6 35.9 46.4 101.2 48 48 A E H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 112.4 44.8 -61.6 -41.4 36.5 49.9 99.8 49 49 A N H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.896 110.2 54.6 -70.6 -39.7 32.8 50.6 99.5 50 50 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.916 112.8 43.8 -58.1 -44.0 32.0 49.1 102.9 51 51 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.924 109.9 55.5 -67.7 -44.8 34.6 51.4 104.5 52 52 A I H X S+ 0 0 23 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.901 113.5 41.5 -53.2 -43.9 33.4 54.4 102.5 53 53 A K H X S+ 0 0 44 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.867 116.1 47.3 -78.0 -37.5 29.8 54.0 103.8 54 54 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.914 112.0 50.0 -69.1 -43.0 30.8 53.2 107.4 55 55 A R H X S+ 0 0 55 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.886 110.6 51.4 -62.2 -39.2 33.2 56.1 107.6 56 56 A H H X S+ 0 0 31 -4,-1.5 4,-2.2 -5,-0.3 5,-0.2 0.950 111.0 46.4 -61.2 -51.6 30.5 58.4 106.2 57 57 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 6,-0.3 0.896 114.3 48.0 -59.3 -42.5 27.9 57.2 108.8 58 58 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 70,-0.2 0.887 109.7 53.3 -66.3 -40.4 30.4 57.5 111.6 59 59 A K H < S+ 0 0 122 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.929 114.7 39.7 -59.8 -47.8 31.4 61.0 110.5 60 60 A Q H < S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 124.7 35.6 -74.8 -33.6 27.9 62.4 110.5 61 61 A T H < S- 0 0 25 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.750 91.1-134.0 -95.1 -27.0 26.6 60.7 113.6 62 62 A G S < S+ 0 0 61 -4,-2.4 -4,-0.1 1,-0.3 -3,-0.1 0.513 73.0 105.4 81.3 4.7 29.6 60.7 115.9 63 63 A L S S- 0 0 36 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 -0.692 85.4 -84.1-109.0 164.3 28.9 57.0 116.7 64 64 A P - 0 0 17 0, 0.0 -59,-2.8 0, 0.0 2,-0.4 -0.371 52.9-154.8 -57.7 149.7 30.6 53.8 115.7 65 65 A A E -bC 5 125A 0 60,-2.1 60,-2.9 -61,-0.2 2,-0.4 -0.989 14.6-158.8-139.4 145.3 29.2 52.7 112.3 66 66 A L E +bC 6 124A 4 -61,-3.1 -59,-2.3 -2,-0.4 -58,-0.4 -0.979 18.0 164.9-125.4 131.7 28.8 49.4 110.4 67 67 A A E - C 0 123A 3 56,-2.5 56,-3.3 -2,-0.4 2,-0.3 -0.943 14.0-159.7-138.8 161.8 28.4 49.0 106.7 68 68 A D E - C 0 122A 12 -2,-0.3 2,-0.3 54,-0.3 54,-0.2 -0.964 5.5-161.4-136.7 157.6 28.6 46.2 104.1 69 69 A D E + C 0 121A 16 52,-2.0 52,-2.7 -2,-0.3 2,-0.3 -0.991 18.3 178.2-134.0 146.7 29.1 45.8 100.4 70 70 A S E + C 0 120A 41 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.927 7.0 148.2-143.2 163.4 28.3 42.6 98.5 71 71 A G E - C 0 119A 6 48,-1.7 48,-2.5 -2,-0.3 2,-0.4 -0.988 41.3 -92.0-179.6 175.3 28.2 41.2 95.0 72 72 A L E - C 0 118A 1 10,-0.4 10,-2.3 -2,-0.3 2,-0.4 -0.905 31.0-164.5-106.8 132.3 28.5 38.3 92.6 73 73 A T E -DC 81 117A 8 44,-3.0 44,-2.4 -2,-0.4 2,-0.5 -0.980 2.5-160.3-119.4 131.2 31.9 37.5 91.0 74 74 A I E > > - C 0 116A 0 6,-1.8 5,-2.1 -2,-0.4 3,-1.5 -0.941 12.0-149.0-117.5 120.2 32.1 35.2 88.0 75 75 A A G > 5S+ 0 0 54 40,-1.7 3,-1.6 -2,-0.5 -1,-0.1 0.886 98.4 50.6 -51.7 -50.1 35.5 33.5 87.2 76 76 A A G 3 5S+ 0 0 22 39,-0.5 -1,-0.3 37,-0.4 40,-0.1 0.676 110.7 52.2 -65.6 -17.1 34.9 33.4 83.4 77 77 A L G X 5S- 0 0 30 -3,-1.5 3,-2.0 3,-0.2 -1,-0.3 -0.005 121.0-103.5-108.7 27.8 34.0 37.1 83.5 78 78 A N T < 5S- 0 0 84 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.868 82.0 -50.7 53.0 40.3 37.2 38.2 85.3 79 79 A S T 3 S+D 73 0A 3 0, 0.0 3,-2.7 0, 0.0 -1,-0.3 -0.981 85.7 135.6 -75.1 -16.3 29.9 41.9 87.8 82 82 A G G > S+ 0 0 3 -10,-2.3 3,-1.6 -3,-0.5 -10,-0.4 -0.209 84.5 1.0 53.0-124.4 31.7 42.4 91.1 83 83 A V G 3 S+ 0 0 14 -39,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.586 134.5 60.7 -72.6 -8.2 31.1 45.9 92.5 84 84 A F G <> + 0 0 106 -3,-2.7 4,-1.2 1,-0.2 3,-0.3 0.125 68.7 117.1 -99.7 17.6 28.9 46.5 89.4 85 85 A S T <4 S+ 0 0 12 -3,-1.6 3,-0.3 1,-0.3 4,-0.2 0.881 82.0 38.7 -51.5 -43.5 26.6 43.7 90.5 86 86 A S T 4 S+ 0 0 78 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.717 121.8 43.7 -81.6 -21.3 23.7 46.1 90.9 87 87 A R T >4 S+ 0 0 113 -3,-0.3 3,-2.2 1,-0.2 -2,-0.2 0.393 79.9 109.1-102.1 1.3 24.6 48.2 87.8 88 88 A Y T 3< S+ 0 0 38 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.1 0.742 84.8 36.6 -57.9 -31.1 25.4 45.3 85.5 89 89 A A T 3 S- 0 0 25 1,-0.4 -1,-0.3 -3,-0.2 5,-0.1 0.007 122.9 -92.9-111.3 28.1 22.3 45.8 83.3 90 90 A G X - 0 0 40 -3,-2.2 3,-0.8 3,-0.1 -1,-0.4 -0.144 60.6 -47.2 87.1 173.5 22.2 49.6 83.3 91 91 A K T 3 S+ 0 0 185 1,-0.2 3,-0.1 -3,-0.1 -4,-0.1 -0.502 123.1 22.3 -79.6 151.2 20.3 51.9 85.6 92 92 A N T 3 S+ 0 0 162 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.662 92.2 141.3 67.5 17.2 16.6 51.3 86.3 93 93 A A < - 0 0 15 -3,-0.8 -1,-0.2 -7,-0.2 2,-0.1 -0.485 45.8-124.8 -87.2 161.5 17.0 47.6 85.4 94 94 A T > - 0 0 72 -2,-0.1 4,-2.0 -5,-0.1 5,-0.1 -0.462 24.4-106.8 -98.6 171.9 15.3 44.7 87.2 95 95 A D H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 122.3 54.5 -62.0 -41.7 16.7 41.6 88.8 96 96 A A H > S+ 0 0 64 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 107.4 49.6 -59.1 -42.6 15.4 39.6 85.9 97 97 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.918 110.3 49.7 -63.0 -45.8 17.2 41.8 83.4 98 98 A R H X S+ 0 0 35 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.885 108.0 54.2 -61.1 -40.8 20.5 41.5 85.3 99 99 A I H X S+ 0 0 10 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.906 109.1 48.9 -58.7 -42.6 20.1 37.7 85.4 100 100 A Q H X S+ 0 0 92 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.868 108.6 52.2 -67.7 -37.5 19.7 37.7 81.6 101 101 A K H X S+ 0 0 84 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.898 110.2 48.8 -66.5 -39.7 22.8 39.9 81.0 102 102 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.925 112.0 48.8 -62.9 -44.5 24.9 37.5 83.1 103 103 A L H X S+ 0 0 20 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.899 113.4 46.8 -63.0 -41.4 23.6 34.5 81.2 104 104 A E H X S+ 0 0 108 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.903 110.0 53.8 -65.3 -42.7 24.3 36.2 77.9 105 105 A A H X S+ 0 0 24 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.907 111.8 43.7 -60.0 -45.5 27.8 37.3 79.0 106 106 A L H X>S+ 0 0 3 -4,-2.3 4,-1.1 2,-0.2 5,-0.7 0.926 112.0 54.1 -65.1 -45.2 28.7 33.7 80.0 107 107 A E H <5S+ 0 0 136 -4,-2.3 3,-0.3 -5,-0.2 -2,-0.2 0.901 112.8 43.9 -51.4 -44.5 27.1 32.4 76.7 108 108 A A H <5S+ 0 0 78 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.846 109.1 54.5 -74.5 -36.2 29.3 34.9 74.8 109 109 A A H <5S- 0 0 44 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.680 89.0-159.2 -68.1 -15.9 32.5 34.1 76.8 110 110 A D T <5 + 0 0 146 -4,-1.1 2,-0.6 -3,-0.3 -3,-0.1 0.853 33.4 153.3 30.1 55.5 31.8 30.5 75.8 111 111 A D < - 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0 0 20 -2,-2.1 24,-0.3 59,-0.1 23,-0.3 -0.971 59.6-156.5-157.0 138.3 57.4 46.6 98.5 207 9 B Q + 0 0 122 -2,-0.3 2,-0.6 21,-0.1 -2,-0.1 0.270 62.2 118.6 -96.6 8.9 61.1 47.6 98.1 208 10 B N > - 0 0 68 1,-0.2 4,-1.5 2,-0.0 5,-0.1 -0.677 50.9-161.3 -82.8 118.0 61.8 46.3 101.6 209 11 B S H > S+ 0 0 99 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.826 89.4 53.9 -69.8 -33.0 64.4 43.5 101.6 210 12 B S H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 106.8 51.5 -69.2 -38.8 63.5 42.2 105.0 211 13 B K H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.866 111.1 48.4 -65.3 -36.0 59.8 41.9 104.1 212 14 B L H X S+ 0 0 31 -4,-1.5 4,-2.6 2,-0.2 5,-0.2 0.921 112.3 48.3 -67.9 -45.3 60.7 39.9 101.0 213 15 B A H X S+ 0 0 52 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.912 110.3 51.3 -60.4 -44.8 63.0 37.6 103.0 214 16 B E H X S+ 0 0 50 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.883 111.8 48.5 -58.7 -39.9 60.3 37.1 105.7 215 17 B X H X S+ 0 0 4 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.950 111.2 47.3 -67.2 -52.6 57.9 36.1 102.9 216 18 B Q H < S+ 0 0 103 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 114.6 48.7 -55.0 -44.6 60.2 33.7 101.2 217 19 B E H >< S+ 0 0 116 -4,-2.6 3,-1.0 -5,-0.2 -1,-0.2 0.907 111.9 49.8 -60.3 -43.6 61.0 32.2 104.6 218 20 B L H 3< S+ 0 0 30 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.888 120.3 32.8 -65.2 -43.1 57.3 31.9 105.4 219 21 B L T >< S+ 0 0 8 -4,-2.6 3,-1.7 1,-0.2 5,-0.4 -0.016 77.8 127.2-107.4 29.8 56.2 30.3 102.2 220 22 B R T < S+ 0 0 154 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.770 75.2 49.7 -59.1 -28.0 59.4 28.2 101.6 221 23 B D T 3 S+ 0 0 136 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.3 0.532 97.6 87.0 -90.0 -6.4 57.4 25.0 101.3 222 24 B L S < S- 0 0 35 -3,-1.7 2,-1.9 2,-0.1 171,-0.1 -0.678 84.1-120.0 -95.8 148.5 54.9 26.5 98.8 223 25 B E S S+ 0 0 132 -2,-0.3 -23,-1.1 2,-0.0 2,-0.4 -0.491 73.0 118.0 -83.6 68.2 55.3 26.6 95.0 224 26 B I E -h 200 0B 28 -2,-1.9 2,-0.5 -5,-0.4 -23,-0.2 -1.000 49.4-155.1-135.5 133.5 55.1 30.4 94.8 225 27 B K E -h 201 0B 105 -25,-3.0 -23,-2.7 -2,-0.4 2,-0.5 -0.947 10.4-151.7-108.1 125.7 57.8 32.9 93.6 226 28 B F E -h 202 0B 13 -2,-0.5 -23,-0.2 -25,-0.2 -25,-0.0 -0.850 10.1-166.4 -96.3 126.8 57.6 36.4 95.0 227 29 B I E -h 203 0B 21 -25,-2.4 -23,-2.1 -2,-0.5 5,-0.0 -0.952 20.8-126.7-116.1 117.7 59.0 39.1 92.7 228 30 B P E > -h 204 0B 28 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.336 23.7-120.7 -59.7 143.1 59.6 42.6 94.0 229 31 B Q G > >S+ 0 0 10 -25,-2.2 5,-1.9 1,-0.3 3,-1.7 0.686 108.6 75.8 -63.5 -16.7 57.9 45.2 91.9 230 32 B T G > 5S+ 0 0 63 -24,-0.3 3,-0.9 1,-0.3 -1,-0.3 0.764 82.1 67.3 -62.9 -25.5 61.3 46.7 91.3 231 33 B E G < 5S+ 0 0 143 -3,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.597 107.4 40.4 -70.2 -9.2 61.9 43.8 88.9 232 34 B F G < 5S- 0 0 81 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.326 113.6-118.4-116.3 1.5 59.2 45.5 86.8 233 35 B S T < 5 - 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