==== 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-OCT-07 2RH6 . COMPND 2 MOLECULE: PHOSPHODIESTERASE-NUCLEOTIDE PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS AXONOPODIS PV. CITRI; . AUTHOR J.G.ZALATAN,T.D.FENN,A.T.BRUNGER,D.HERSHLAG . 764 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 492 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 11.0 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 42 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 5 0 3 1 2 6 2 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 2 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 PARALLEL BRIDGES PER LADDER . 8 4 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 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 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 44 A T 0 0 130 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 123.7 -3.6 27.7 26.9 2 45 A P - 0 0 71 0, 0.0 2,-0.1 0, 0.0 204,-0.0 -0.310 360.0 -89.4 -67.8 154.1 -0.6 28.4 29.2 3 46 A H - 0 0 64 1,-0.1 204,-0.2 204,-0.1 2,-0.1 -0.375 43.5-128.5 -64.9 133.1 0.6 32.0 29.8 4 47 A A E -a 207 0A 4 202,-1.3 204,-2.9 199,-0.2 2,-0.4 -0.359 12.8-135.7 -76.7 161.7 3.2 33.2 27.3 5 48 A L E -ab 208 158A 0 152,-2.7 154,-2.3 202,-0.2 2,-0.5 -0.989 10.1-161.6-120.9 127.0 6.6 34.7 28.4 6 49 A L E -ab 209 159A 0 202,-2.8 204,-2.4 -2,-0.4 2,-0.5 -0.970 9.8-165.2-105.6 120.9 7.9 37.8 26.7 7 50 A L E -ab 210 160A 2 152,-2.6 154,-2.6 -2,-0.5 2,-0.5 -0.952 6.2-173.5-114.6 116.4 11.7 38.2 27.3 8 51 A I E -ab 211 161A 0 202,-2.7 204,-2.7 -2,-0.5 2,-0.5 -0.954 6.9-164.9-115.2 128.6 13.2 41.6 26.5 9 52 A S E -ab 212 162A 0 152,-2.5 154,-2.2 -2,-0.5 2,-0.7 -0.962 6.3-165.4-112.0 129.1 16.9 42.4 26.6 10 53 A I E > - b 0 163A 4 202,-2.4 3,-1.7 -2,-0.5 204,-0.2 -0.909 29.7-132.2-108.8 97.6 18.1 46.0 26.5 11 54 A D T 3 S+ 0 0 0 152,-2.4 156,-0.6 -2,-0.7 155,-0.2 -0.231 80.9 2.0 -53.3 130.0 21.8 45.6 25.7 12 55 A G T 3 S+ 0 0 0 1,-0.2 2,-0.7 203,-0.2 -1,-0.2 0.583 80.6 153.2 74.4 10.1 24.1 47.6 28.0 13 56 A L < - 0 0 3 -3,-1.7 319,-0.4 199,-0.1 -1,-0.2 -0.673 38.7-139.2 -74.6 113.7 21.4 49.1 30.3 14 57 A R > - 0 0 22 -2,-0.7 3,-1.9 317,-0.1 317,-0.2 -0.405 17.5-115.8 -75.9 149.0 23.2 49.8 33.6 15 58 A A G > S+ 0 0 8 315,-1.7 3,-0.9 312,-0.3 -1,-0.1 0.797 111.1 55.9 -59.4 -32.3 21.2 48.9 36.8 16 59 A D G > S+ 0 0 57 1,-0.2 3,-1.7 311,-0.2 -1,-0.3 0.584 84.0 86.4 -77.0 -8.5 21.0 52.5 38.1 17 60 A M G X S+ 0 0 2 -3,-1.9 3,-0.6 1,-0.3 5,-0.4 0.580 76.5 66.3 -75.4 -8.9 19.4 53.8 34.9 18 61 A L G < S+ 0 0 9 -3,-0.9 3,-0.3 1,-0.2 -1,-0.3 0.538 97.6 57.7 -77.9 -8.9 15.9 52.9 36.1 19 62 A D G < S+ 0 0 104 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.038 84.5 78.2-116.7 23.9 16.3 55.6 38.8 20 63 A R S < S- 0 0 108 -3,-0.6 -1,-0.2 0, 0.0 -2,-0.1 0.240 103.6-107.2-116.7 8.0 16.9 58.7 36.7 21 64 A G S S+ 0 0 74 -3,-0.3 -3,-0.1 2,-0.1 -2,-0.1 0.712 95.0 104.5 71.0 23.2 13.4 59.5 35.5 22 65 A I + 0 0 10 -5,-0.4 166,-0.2 1,-0.2 3,-0.1 0.313 67.7 60.0-116.4 6.8 14.2 58.3 32.0 23 66 A T > + 0 0 0 -5,-0.2 4,-3.3 1,-0.1 5,-0.3 -0.465 53.9 157.1-132.6 60.4 12.3 55.0 32.0 24 67 A P H > S+ 0 0 81 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.896 78.3 44.0 -56.1 -42.7 8.6 55.8 32.7 25 68 A N H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.933 118.1 42.6 -70.3 -45.2 7.3 52.6 31.1 26 69 A L H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.876 113.4 52.9 -67.7 -39.5 9.9 50.3 32.7 27 70 A S H X S+ 0 0 25 -4,-3.3 4,-2.0 2,-0.2 -2,-0.2 0.898 111.2 47.2 -61.2 -41.2 9.6 52.0 36.1 28 71 A H H X S+ 0 0 90 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.950 110.8 51.7 -66.0 -45.8 5.8 51.6 36.0 29 72 A L H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.898 109.8 50.4 -53.1 -45.0 6.2 47.9 35.0 30 73 A A H < S+ 0 0 11 -4,-2.4 313,-0.3 1,-0.2 314,-0.3 0.885 108.3 50.9 -63.7 -42.3 8.6 47.4 37.9 31 74 A R H < S+ 0 0 160 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.5 47.5 -63.6 -38.9 6.2 49.0 40.4 32 75 A E H < S+ 0 0 69 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.819 130.0 7.7 -67.2 -34.4 3.4 46.7 39.2 33 76 A G S < S- 0 0 1 -4,-1.7 311,-2.2 309,-0.3 310,-0.8 0.239 104.4 -40.7-119.3-125.0 5.7 43.6 39.3 34 77 A V E -Cd 335 344A 0 301,-3.5 301,-2.4 309,-0.2 2,-0.4 -0.902 40.8-176.9-121.3 141.7 9.1 42.6 40.6 35 78 A R E -Cd 334 345A 51 309,-1.8 311,-2.3 -2,-0.4 2,-0.3 -0.983 14.8-147.2-140.2 131.8 12.4 44.4 40.4 36 79 A A E - d 0 346A 3 297,-2.5 297,-0.4 -2,-0.4 312,-0.1 -0.650 27.4-121.5 -87.0 150.1 15.9 43.3 41.6 37 80 A R S S- 0 0 61 309,-2.3 2,-0.3 -2,-0.3 -1,-0.1 0.904 87.0 -38.7 -55.9 -38.1 18.3 45.9 42.9 38 81 A W - 0 0 48 308,-0.2 311,-1.2 309,-0.1 2,-0.4 -0.937 54.7-126.8-172.1 173.1 20.6 44.8 40.1 39 82 A M E -Hi 331 349B 0 292,-2.0 292,-3.3 -2,-0.3 311,-0.2 -0.999 23.3-134.6-137.4 125.9 21.7 41.6 38.4 40 83 A A E - i 0 350B 10 309,-2.8 311,-2.4 -2,-0.4 312,-0.2 -0.707 18.0-133.3 -83.3 133.9 25.4 40.7 38.0 41 84 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 4,-0.1 -0.246 22.5-111.5 -70.6 169.0 26.7 39.5 34.7 42 85 A S - 0 0 1 2,-0.2 4,-0.2 172,-0.2 8,-0.1 -0.614 54.9 -54.6 -93.7 161.4 28.9 36.5 34.3 43 86 A Y S S+ 0 0 4 238,-0.5 18,-0.3 -2,-0.2 2,-0.1 -0.696 122.9 37.2 -81.2 133.2 32.5 36.6 33.3 44 87 A P S S- 0 0 0 0, 0.0 2,-2.7 0, 0.0 -2,-0.2 0.553 82.8-143.2 -83.8 153.5 33.3 38.0 30.7 45 88 A S + 0 0 0 277,-0.3 276,-1.4 -4,-0.1 2,-0.2 -0.288 58.4 124.6 -81.7 60.5 30.9 40.9 30.9 46 89 A L > - 0 0 5 -2,-2.7 4,-1.9 -4,-0.2 5,-0.2 -0.719 69.8-106.7-118.7 167.1 30.3 40.9 27.1 47 90 A T H > S+ 0 0 12 -2,-0.2 4,-2.4 2,-0.2 5,-0.3 0.904 108.5 39.7 -67.4 -53.4 27.2 40.6 24.9 48 91 A F H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.961 116.6 49.1 -68.4 -49.6 27.3 37.1 23.4 49 92 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.897 117.3 41.2 -52.5 -47.2 28.5 35.3 26.5 50 93 A N H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.869 112.0 51.3 -76.4 -35.5 26.0 36.9 28.8 51 94 A H H X S+ 0 0 0 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.894 113.6 48.1 -64.3 -36.8 22.9 36.8 26.5 52 95 A Y H X S+ 0 0 0 -4,-2.2 4,-0.9 -5,-0.3 6,-0.3 0.902 109.5 52.2 -73.4 -37.8 23.7 33.1 26.1 53 96 A T H >X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 3,-0.7 0.899 104.4 58.4 -56.4 -43.5 24.1 32.6 29.8 54 97 A L H 3< S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.0 37.9 -56.8 -43.1 20.7 34.2 30.4 55 98 A V H 3< S+ 0 0 0 -4,-1.3 42,-1.7 1,-0.1 -1,-0.2 0.510 126.1 36.1 -89.7 -8.1 18.8 31.7 28.2 56 99 A T H << S- 0 0 1 -4,-0.9 39,-0.3 -3,-0.7 -2,-0.2 0.571 91.7-131.3-114.4 -21.0 20.8 28.6 29.3 57 100 A G < + 0 0 0 -4,-2.6 313,-2.5 1,-0.3 314,-0.4 0.613 68.2 123.7 74.4 12.1 21.6 29.2 33.0 58 101 A L - 0 0 20 -5,-0.3 -1,-0.3 -6,-0.3 -2,-0.2 -0.840 65.4-119.2-108.2 141.9 25.2 28.3 32.3 59 102 A R >> - 0 0 23 -2,-0.4 3,-2.2 1,-0.1 4,-2.2 -0.446 35.1-110.0 -66.4 148.9 28.4 30.3 32.9 60 103 A P H 3> S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.841 118.4 64.9 -49.9 -35.6 30.3 31.1 29.7 61 104 A D H 34 S+ 0 0 13 221,-0.5 5,-0.1 -18,-0.3 222,-0.1 0.752 112.5 35.3 -59.2 -23.8 33.1 28.7 30.9 62 105 A H H <4 S+ 0 0 106 -3,-2.2 -1,-0.2 3,-0.1 32,-0.2 0.816 116.4 48.5 -99.6 -40.6 30.5 25.9 30.5 63 106 A H H < S- 0 0 2 -4,-2.2 30,-2.5 30,-0.1 -2,-0.2 0.682 100.6-127.9 -80.9 -13.2 28.4 26.9 27.5 64 107 A G S < S+ 0 0 1 -4,-1.9 2,-1.6 -5,-0.3 3,-0.1 0.269 78.1 113.6 90.5 -10.8 31.4 27.6 25.3 65 108 A I + 0 0 0 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 -0.703 38.5 160.5 -89.9 78.6 30.6 31.1 24.1 66 109 A V - 0 0 2 -2,-1.6 2,-0.3 -5,-0.1 -1,-0.2 0.504 60.0 -1.5 -88.2 -8.7 33.6 32.3 26.1 67 110 A H S S- 0 0 17 -3,-0.1 3,-0.1 -7,-0.1 -1,-0.1 -0.940 74.6-103.7-162.7 168.6 34.0 35.7 24.3 68 111 A N S S+ 0 0 26 -2,-0.3 2,-0.4 1,-0.2 12,-0.1 0.804 115.7 41.7 -65.5 -33.0 32.4 37.6 21.4 69 112 A S S S+ 0 0 45 10,-0.2 2,-0.3 -3,-0.1 10,-0.2 -0.979 79.3 161.0-119.2 129.9 35.5 36.5 19.4 70 113 A M E -J 78 0C 7 8,-2.6 8,-2.4 -2,-0.4 2,-0.3 -0.943 30.1-143.8-144.6 162.1 36.9 33.0 19.6 71 114 A R E -J 77 0C 149 217,-0.5 6,-0.2 -2,-0.3 3,-0.1 -0.978 15.4-173.4-127.2 142.6 39.1 30.4 17.9 72 115 A D E > -J 76 0C 28 4,-2.0 4,-2.0 -2,-0.3 216,-0.1 -0.997 29.0-129.9-135.6 137.5 38.5 26.6 18.0 73 116 A P T 4 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.884 108.0 24.3 -54.4 -42.1 40.8 23.9 16.7 74 117 A T T 4 S+ 0 0 122 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.883 128.1 41.7 -90.1 -46.1 38.1 22.2 14.7 75 118 A L T 4 S- 0 0 31 1,-0.3 2,-0.3 15,-0.1 -1,-0.1 0.662 92.3-150.6 -84.8 -16.6 35.5 24.9 14.1 76 119 A G E < -J 72 0C 32 -4,-2.0 -4,-2.0 2,-0.0 -1,-0.3 -0.635 48.6 -0.4 85.6-140.7 37.9 27.8 13.3 77 120 A G E -J 71 0C 16 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.582 54.8-171.0 -93.3 150.7 37.1 31.4 14.0 78 121 A F E +J 70 0C 0 -8,-2.4 -8,-2.6 -2,-0.2 2,-0.3 -0.996 17.5 146.0-139.1 128.7 34.0 32.9 15.5 79 122 A W > - 0 0 117 -2,-0.4 3,-1.9 3,-0.2 7,-0.3 -0.941 57.9 -92.9-154.7 173.3 32.9 36.6 15.9 80 123 A L T 3 S+ 0 0 78 1,-0.3 -11,-0.1 -2,-0.3 6,-0.1 0.783 121.2 42.8 -63.6 -35.9 29.7 38.5 15.8 81 124 A S T 3 S+ 0 0 103 1,-0.1 2,-1.4 5,-0.0 -1,-0.3 0.406 87.1 98.8 -89.6 -0.0 29.6 39.4 12.0 82 125 A K X> - 0 0 51 -3,-1.9 4,-2.5 1,-0.2 3,-1.5 -0.665 56.2-173.7 -89.0 86.9 30.8 35.9 10.9 83 126 A S H 3> S+ 0 0 72 -2,-1.4 4,-2.4 1,-0.3 -1,-0.2 0.782 75.7 51.6 -56.2 -40.6 27.3 34.5 10.1 84 127 A E H 34 S+ 0 0 137 2,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.665 114.2 45.9 -78.3 -12.5 28.2 30.8 9.3 85 128 A A H X4 S+ 0 0 3 -3,-1.5 3,-1.8 -6,-0.2 6,-0.3 0.884 114.4 45.8 -83.6 -51.5 30.1 30.6 12.6 86 129 A V H 3< S+ 0 0 7 -4,-2.5 31,-0.2 -7,-0.3 -2,-0.2 0.863 114.8 49.9 -58.7 -34.5 27.3 32.3 14.6 87 130 A G T 3< S+ 0 0 21 -4,-2.4 2,-0.7 -5,-0.3 32,-0.4 0.379 88.1 100.1 -85.1 3.2 24.8 30.0 12.8 88 131 A D X - 0 0 35 -3,-1.8 3,-1.9 30,-0.2 4,-0.3 -0.837 62.5-154.2 -97.7 108.6 26.7 26.8 13.5 89 132 A A G > S+ 0 0 30 -2,-0.7 3,-1.1 1,-0.3 32,-0.2 0.660 83.9 78.8 -54.0 -23.1 25.2 24.9 16.4 90 133 A R G 3 S+ 0 0 166 1,-0.3 -1,-0.3 30,-0.1 -15,-0.1 0.696 89.2 56.0 -65.8 -19.6 28.5 23.3 17.3 91 134 A W G < S+ 0 0 2 -3,-1.9 2,-0.7 -6,-0.3 -1,-0.3 0.755 95.1 78.8 -72.6 -28.4 29.7 26.5 19.1 92 135 A W < - 0 0 10 -3,-1.1 29,-0.3 -4,-0.3 -28,-0.2 -0.760 63.5-167.3-101.8 112.4 26.7 26.6 21.4 93 136 A G + 0 0 25 -30,-2.5 -30,-0.1 -2,-0.7 -35,-0.1 -0.293 48.1 18.2 -87.9 173.0 26.6 24.4 24.5 94 137 A G S S- 0 0 31 -32,-0.2 275,-0.1 1,-0.1 -37,-0.1 -0.150 94.3 -65.0 66.5-162.3 23.7 23.6 26.8 95 138 A E - 0 0 37 -39,-0.3 272,-0.2 273,-0.2 -1,-0.1 -0.909 41.8-148.5-132.7 103.5 20.0 24.0 26.1 96 139 A P >> - 0 0 0 0, 0.0 4,-1.6 0, 0.0 3,-1.5 -0.353 33.0-106.0 -70.8 154.2 18.6 27.5 25.5 97 140 A V H 3> S+ 0 0 0 -42,-1.7 4,-2.4 1,-0.3 5,-0.1 0.785 117.3 59.8 -51.9 -34.5 15.0 28.1 26.6 98 141 A W H 3> S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.835 104.1 50.7 -65.4 -33.9 13.6 28.1 23.1 99 142 A V H <> S+ 0 0 0 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.936 110.4 49.7 -65.4 -45.6 14.9 24.6 22.4 100 143 A G H < S+ 0 0 3 -4,-1.6 4,-0.5 1,-0.2 -2,-0.2 0.903 112.1 48.6 -55.4 -45.6 13.2 23.4 25.6 101 144 A V H ><>S+ 0 0 0 -4,-2.4 5,-1.6 -5,-0.2 3,-1.4 0.950 111.5 47.4 -62.8 -50.2 10.0 25.1 24.5 102 145 A E H ><5S+ 0 0 34 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.873 105.9 60.5 -62.2 -34.2 10.1 23.6 21.0 103 146 A N T 3<5S+ 0 0 101 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.594 100.1 55.3 -72.8 -9.9 10.8 20.1 22.4 104 147 A T T < 5S- 0 0 60 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.330 124.8-101.7 -95.5 3.5 7.5 20.2 24.4 105 148 A G T < 5S+ 0 0 58 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.431 89.5 114.7 88.5 1.0 5.5 20.8 21.2 106 149 A Q < - 0 0 42 -5,-1.6 2,-0.3 -6,-0.2 -1,-0.3 -0.373 62.2-114.4 -93.9 178.5 5.1 24.5 21.9 107 150 A H E -e 156 0A 47 48,-0.5 50,-1.7 -2,-0.1 51,-1.6 -0.891 17.4-160.2-126.0 148.4 6.6 27.3 19.9 108 151 A A E -e 158 0A 0 -2,-0.3 19,-1.8 48,-0.2 18,-1.4 -0.958 1.4-164.5-122.4 141.0 9.2 30.1 20.3 109 152 A A E -ef 159 127A 0 49,-2.5 51,-2.4 -2,-0.4 2,-0.5 -0.992 11.7-169.0-127.5 124.5 9.7 33.3 18.4 110 153 A T E -e 160 0A 0 17,-2.7 2,-1.0 -2,-0.4 19,-0.3 -0.956 19.2-157.3-121.5 124.2 13.0 35.2 18.7 111 154 A W S S- 0 0 10 49,-1.8 51,-0.3 -2,-0.5 17,-0.1 -0.784 80.1 -45.6 -92.7 90.9 13.9 38.7 17.5 112 155 A S S S+ 0 0 8 -2,-1.0 -1,-0.2 17,-0.2 18,-0.1 0.955 76.5 166.7 52.4 67.7 17.7 38.4 17.3 113 156 A W > - 0 0 2 -3,-0.1 3,-2.8 47,-0.1 4,-0.2 -0.956 51.1 -96.1-101.7 131.2 18.8 36.7 20.5 114 157 A P T 3 S+ 0 0 11 0, 0.0 -28,-0.0 0, 0.0 0, 0.0 -0.278 114.5 23.0 -46.1 121.5 22.4 35.5 20.4 115 158 A G T > S+ 0 0 2 -29,-0.1 3,-1.6 -19,-0.0 5,-0.3 0.060 91.2 106.5 105.3 -18.5 22.2 31.8 19.4 116 159 A S T < S+ 0 0 0 -3,-2.8 -6,-0.1 1,-0.3 -4,-0.1 0.523 70.1 63.3 -74.5 -6.9 18.8 32.0 17.7 117 160 A E T 3 S+ 0 0 24 -4,-0.2 -1,-0.3 -31,-0.2 2,-0.2 0.401 97.0 71.6 -94.8 0.7 20.3 31.7 14.2 118 161 A A S < S- 0 0 0 -3,-1.6 2,-0.9 -30,-0.1 -30,-0.2 -0.685 85.6-119.7-109.0 164.7 21.6 28.2 14.9 119 162 A A > - 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0 0 0 119,-1.2 -202,-0.2 -2,-0.3 118,-0.1 -0.905 18.7-133.3-127.4 168.3 45.3 42.7 57.7 597 257 B D S S- 0 0 0 1,-0.3 2,-0.3 -2,-0.3 -172,-0.2 0.735 77.5 -31.9 -91.0 -26.2 42.1 40.9 58.2 598 258 B H - 0 0 0 115,-0.2 -1,-0.3 -202,-0.1 115,-0.2 -0.943 62.0-105.8-176.9 171.5 39.7 43.4 56.4 599 259 B G - 0 0 0 113,-1.3 2,-0.3 -2,-0.3 113,-0.2 0.193 32.0-110.8 -93.7-146.6 39.3 47.1 55.7 600 260 B M - 0 0 0 111,-1.5 2,-0.3 113,-0.2 103,-0.2 -0.966 19.0-159.1-159.0 133.5 37.0 49.7 57.1 601 261 B A E -E 702 0M 2 101,-2.8 101,-2.1 -2,-0.3 2,-0.2 -0.874 28.9-102.3-117.7 153.2 34.0 51.7 55.7 602 262 B E E -E 701 0M 103 -2,-0.3 2,-0.5 99,-0.2 99,-0.3 -0.535 24.0-159.3 -74.2 139.8 32.5 55.0 56.8 603 263 B V E -E 700 0M 5 97,-2.7 97,-2.6 -2,-0.2 80,-0.1 -0.961 17.1-147.9-120.9 105.6 29.2 54.9 58.8 604 264 B A > - 0 0 39 -2,-0.5 3,-1.5 78,-0.4 95,-0.1 -0.219 34.3 -76.1 -72.2 161.3 27.5 58.2 58.5 605 265 B P T 3 S+ 0 0 76 0, 0.0 -1,-0.2 0, 0.0 94,-0.1 -0.305 119.0 22.7 -54.7 138.2 25.3 59.7 61.3 606 266 B G T 3 S+ 0 0 53 92,-0.1 -2,-0.1 -3,-0.1 77,-0.0 0.564 85.6 120.8 81.6 10.4 21.9 58.1 61.6 607 267 B H < + 0 0 55 -3,-1.5 77,-2.6 75,-0.1 2,-0.4 -0.078 48.3 94.6 -98.2 32.1 23.0 54.9 59.8 608 268 B A E +f 684 0N 25 75,-0.2 2,-0.2 77,-0.1 77,-0.2 -0.991 45.6 174.2-125.6 132.7 22.1 52.6 62.7 609 269 B I E -f 685 0N 32 75,-2.3 77,-2.8 -2,-0.4 2,-0.4 -0.649 36.3 -96.9-118.9 176.7 18.9 50.6 63.2 610 270 B S E >> -f 686 0N 10 75,-0.2 3,-1.8 -2,-0.2 4,-0.6 -0.799 19.8-131.8 -93.0 142.9 17.9 48.0 65.7 611 271 B V H >> S+ 0 0 0 75,-2.4 4,-1.5 -2,-0.4 3,-1.0 0.819 110.9 63.3 -58.2 -28.4 18.1 44.3 64.9 612 272 B E H 34 S+ 0 0 87 74,-0.4 -1,-0.3 1,-0.3 75,-0.1 0.623 89.7 65.8 -76.3 -10.9 14.5 44.2 66.3 613 273 B D H <4 S+ 0 0 109 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.704 102.8 49.5 -71.3 -25.9 13.5 46.5 63.4 614 274 B I H << S- 0 0 6 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.1 0.933 134.8 -6.1 -77.9 -50.3 14.4 43.5 61.1 615 275 B A S < S- 0 0 1 -4,-1.5 -1,-0.3 5,-0.1 7,-0.1 -0.970 76.5-117.6-145.4 131.4 12.5 40.9 63.1 616 276 B P >> - 0 0 51 0, 0.0 4,-1.8 0, 0.0 3,-1.7 -0.336 29.3-116.0 -66.6 151.0 10.6 41.3 66.4 617 277 B P T 34 S+ 0 0 56 0, 0.0 17,-0.0 0, 0.0 -5,-0.0 0.698 110.5 68.6 -63.7 -16.3 11.9 39.2 69.3 618 278 B Q T 34 S+ 0 0 136 1,-0.2 3,-0.1 15,-0.0 16,-0.0 0.744 111.6 29.7 -72.0 -25.9 8.5 37.3 69.4 619 279 B I T <4 S+ 0 0 24 -3,-1.7 15,-2.2 1,-0.3 2,-0.3 0.708 130.2 12.7-106.4 -24.1 9.2 35.6 66.0 620 280 B A E < -H 633 0O 2 -4,-1.8 2,-0.5 13,-0.3 -1,-0.3 -0.983 61.6-130.3-157.3 143.5 13.0 35.4 66.0 621 281 B T E -H 632 0O 58 11,-2.4 11,-2.3 -2,-0.3 2,-0.7 -0.790 23.5-133.4 -91.8 123.6 16.1 35.8 68.2 622 282 B A E -H 631 0O 17 -2,-0.5 9,-0.2 9,-0.2 3,-0.1 -0.725 22.3-176.8 -72.9 116.8 19.0 38.0 66.9 623 283 B I + 0 0 27 7,-3.1 2,-0.3 -2,-0.7 -1,-0.2 0.823 68.7 15.4 -84.9 -35.3 22.1 35.9 67.5 624 284 B T - 0 0 7 6,-0.9 2,-0.2 -13,-0.0 -1,-0.2 -0.938 64.6-163.3-134.6 155.1 24.5 38.6 66.3 625 285 B D + 0 0 23 -2,-0.3 2,-0.7 4,-0.1 3,-0.4 -0.637 52.9 66.2-120.8-172.8 24.3 42.3 65.6 626 286 B G B S-G 685 0N 8 59,-3.4 59,-2.7 -2,-0.2 3,-0.1 -0.871 114.4 -31.5 106.1-104.2 26.6 44.7 63.7 627 287 B Q S S+ 0 0 20 -2,-0.7 52,-2.8 1,-0.3 2,-0.6 0.618 131.0 55.7-127.1 -28.4 26.6 44.0 59.9 628 288 B V E S- I 0 678O 3 -3,-0.4 2,-0.6 50,-0.2 -1,-0.3 -0.944 75.8-169.1-110.7 105.8 26.1 40.3 59.6 629 289 B I E - I 0 677O 0 48,-2.9 48,-2.8 -2,-0.6 2,-0.4 -0.881 6.0-162.8-111.3 111.8 22.9 39.6 61.5 630 290 B G E - I 0 676O 2 -2,-0.6 -7,-3.1 46,-0.2 -6,-0.9 -0.789 6.4-168.3 -96.9 133.5 21.9 36.0 62.3 631 291 B F E -HI 622 675O 1 44,-2.8 44,-2.3 -2,-0.4 -9,-0.2 -0.985 11.0-162.8-121.9 135.7 18.3 35.2 63.2 632 292 B E E -H 621 0O 77 -11,-2.3 -11,-2.4 -2,-0.4 -2,-0.0 -0.951 25.4-130.7-113.7 109.2 17.0 32.0 64.7 633 293 B P E -H 620 0O 13 0, 0.0 -13,-0.3 0, 0.0 5,-0.2 -0.242 25.0-112.2 -54.5 141.7 13.2 31.8 64.4 634 294 B L > - 0 0 54 -15,-2.2 3,-2.6 1,-0.2 4,-0.3 -0.326 55.1 -69.2 -68.0 159.8 11.4 30.8 67.6 635 295 B P T 3 S+ 0 0 126 0, 0.0 -1,-0.2 0, 0.0 -15,-0.0 -0.273 124.4 7.7 -55.8 133.0 9.7 27.4 67.5 636 296 B G T 3 S+ 0 0 81 -3,-0.1 4,-0.2 1,-0.1 3,-0.1 0.538 109.8 94.1 73.7 6.6 6.7 27.4 65.1 637 297 B Q <> + 0 0 68 -3,-2.6 4,-3.1 1,-0.1 5,-0.3 0.316 43.3 106.8-111.0 6.6 7.7 30.9 63.9 638 298 B Q H > S+ 0 0 74 -4,-0.3 4,-2.9 1,-0.2 5,-0.2 0.916 84.0 46.7 -52.0 -46.9 9.8 29.9 60.8 639 299 B A H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.913 114.6 46.0 -64.5 -43.8 7.0 31.1 58.4 640 300 B A H > S+ 0 0 37 2,-0.2 4,-1.9 -4,-0.2 -2,-0.2 0.932 114.9 47.6 -62.1 -47.0 6.4 34.4 60.3 641 301 B A H X S+ 0 0 0 -4,-3.1 4,-2.4 -22,-0.3 5,-0.3 0.941 114.1 46.4 -60.5 -50.0 10.2 35.1 60.5 642 302 B E H X S+ 0 0 36 -4,-2.9 4,-2.0 -5,-0.3 -1,-0.2 0.915 109.9 53.9 -59.1 -44.2 10.7 34.3 56.9 643 303 B A H < S+ 0 0 87 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.872 118.6 35.2 -59.2 -36.9 7.8 36.4 55.8 644 304 B S H < S+ 0 0 62 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.733 127.8 33.2 -90.0 -25.6 9.1 39.4 57.6 645 305 B V H < S+ 0 0 0 -4,-2.4 9,-0.2 -5,-0.2 -3,-0.2 0.834 88.9 94.6-101.6 -42.7 12.9 38.9 57.1 646 306 B L S < S+ 0 0 46 -4,-2.0 2,-0.2 -5,-0.3 9,-0.2 -0.238 76.9 13.1 -64.1 143.9 13.6 37.4 53.7 647 307 B G E S-J 654 0O 19 7,-2.3 7,-2.3 2,-0.0 2,-0.4 -0.627 99.9 -16.1 104.5-159.1 14.4 39.5 50.7 648 308 B A E +J 653 0O 20 -303,-1.0 2,-0.2 -2,-0.2 5,-0.2 -0.720 55.4 171.2 -92.1 135.8 15.3 43.1 50.1 649 309 B H - 0 0 51 3,-2.6 3,-0.4 -2,-0.4 -35,-0.0 -0.736 50.2 -79.5-132.5-179.0 14.8 45.9 52.6 650 310 B D S S+ 0 0 129 -2,-0.2 -1,-0.0 1,-0.2 3,-0.0 0.924 120.8 0.9 -51.2 -56.7 15.8 49.6 52.8 651 311 B H S S+ 0 0 59 29,-0.0 29,-3.0 -3,-0.0 2,-0.3 -0.000 129.4 38.1-129.3 26.8 19.5 49.1 53.9 652 312 B Y E - K 0 679O 23 -3,-0.4 -3,-2.6 27,-0.3 2,-0.3 -0.978 58.0-144.3-165.2 166.0 19.9 45.4 54.1 653 313 B D E -JK 648 678O 14 25,-1.6 25,-2.6 -2,-0.3 2,-0.3 -0.969 15.5-155.4-135.8 151.8 19.0 42.0 52.5 654 314 B b E +JK 647 677O 3 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.3 -0.973 11.4 177.1-133.4 149.6 18.3 38.7 54.1 655 315 B W E - K 0 676O 39 21,-2.6 21,-2.8 -2,-0.3 2,-0.2 -0.960 40.3 -98.3-139.7 154.7 18.5 35.1 53.0 656 316 B R E > - K 0 675O 87 -2,-0.3 3,-2.2 19,-0.2 4,-0.3 -0.560 49.0-114.9 -62.5 142.2 18.0 31.5 54.3 657 317 B K G > S+ 0 0 47 17,-2.9 3,-1.1 1,-0.3 -1,-0.1 0.858 116.1 52.3 -59.2 -33.4 21.6 30.4 55.2 658 318 B A G 3 S+ 0 0 86 16,-0.3 -1,-0.3 1,-0.2 10,-0.1 0.641 110.5 50.0 -73.2 -14.1 21.6 27.7 52.5 659 319 B E G < S+ 0 0 55 -3,-2.2 -1,-0.2 8,-0.1 -2,-0.2 0.192 78.5 132.8-111.1 14.1 20.5 30.3 49.9 660 320 B L S < S- 0 0 11 -3,-1.1 5,-0.1 -4,-0.3 6,-0.1 -0.300 77.3 -72.0 -62.4 149.9 23.1 33.0 50.6 661 321 B P > - 0 0 26 0, 0.0 3,-1.8 0, 0.0 5,-0.3 -0.174 44.6-132.4 -46.0 127.6 24.8 34.5 47.5 662 322 B A G > S+ 0 0 79 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.795 99.6 67.9 -58.4 -33.7 27.2 31.8 46.2 663 323 B R G 3 S+ 0 0 90 1,-0.3 -1,-0.3 2,-0.1 -383,-0.0 0.709 92.9 59.9 -61.3 -21.8 30.2 34.1 45.9 664 324 B W G < S- 0 0 15 -3,-1.8 -238,-0.4 2,-0.1 -1,-0.3 0.593 93.0-147.5 -80.9 -12.3 30.3 34.5 49.7 665 325 B Q < + 0 0 85 -3,-1.8 -221,-0.4 -4,-0.3 2,-0.3 0.901 56.1 118.6 46.3 55.0 30.9 30.7 50.1 666 326 B Y + 0 0 17 -5,-0.3 -6,-0.2 -9,-0.1 -1,-0.2 -0.994 27.7 65.8-151.1 144.6 29.1 30.8 53.4 667 327 B G S S+ 0 0 5 -2,-0.3 -1,-0.1 -3,-0.1 -8,-0.1 0.315 71.9 90.7 125.7 -5.4 26.0 29.2 54.9 668 328 B S + 0 0 86 -10,-0.1 -10,-0.1 -3,-0.1 -2,-0.0 0.591 61.7 101.1 -89.3 -17.2 26.7 25.4 55.0 669 329 B H S > S- 0 0 33 1,-0.1 3,-1.6 -12,-0.1 -224,-0.1 -0.515 73.0-134.6 -76.1 133.7 28.2 25.4 58.5 670 330 B P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 4,-0.0 0.785 100.8 62.9 -56.3 -28.4 25.8 24.2 61.3 671 331 B R T 3 S+ 0 0 36 2,-0.1 -217,-0.4 -216,-0.1 -2,-0.0 0.652 80.2 98.3 -72.6 -14.0 26.8 27.1 63.6 672 332 B I S < S- 0 0 2 -3,-1.6 -15,-0.1 1,-0.1 4,-0.1 -0.558 84.3-110.7 -77.4 130.9 25.4 29.7 61.2 673 333 B P - 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