==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-APR-11 3RHF . COMPND 2 MOLECULE: PUTATIVE POLYPHOSPHATE KINASE 2 FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR B.NOCEK,C.HATZOS-SKINTGES,B.FELDMANN,G.BABNIGG,A.JOACHIMIAK, . 1124 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46221.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 856 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 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 . 4 0.4 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 . 79 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 454 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.2 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 14 0 0 3 1 2 2 4 0 4 0 4 0 3 1 0 4 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 12 0 1 3 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 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 . 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 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 4 A V 0 0 144 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.7 51.9 46.2 76.9 2 5 A A - 0 0 76 1,-0.1 2,-0.6 41,-0.0 41,-0.2 -0.488 360.0 -82.7-102.8 162.6 50.4 44.4 80.0 3 6 A A - 0 0 48 39,-0.2 2,-0.6 -2,-0.2 37,-0.1 -0.523 34.4-169.4 -75.2 114.3 51.1 41.1 81.9 4 7 A V - 0 0 46 35,-0.6 39,-0.1 -2,-0.6 31,-0.1 -0.919 18.9-150.3 -96.6 119.1 49.4 38.1 80.4 5 8 A E - 0 0 79 -2,-0.6 29,-0.4 1,-0.2 2,-0.1 -0.386 31.3 -74.2 -85.2 167.7 49.8 35.3 82.9 6 9 A F - 0 0 28 1,-0.2 27,-0.2 27,-0.1 -1,-0.2 -0.396 32.3-154.4 -61.9 134.6 50.0 31.6 82.2 7 10 A A S S+ 0 0 74 25,-2.1 2,-0.4 1,-0.3 26,-0.2 0.879 87.9 21.8 -76.7 -43.3 46.6 30.1 81.3 8 11 A K S S- 0 0 29 24,-1.7 -1,-0.3 -3,-0.0 0, 0.0 -0.982 96.7-105.8-124.1 143.3 47.8 26.7 82.5 9 12 A S >> - 0 0 39 -2,-0.4 4,-1.8 -3,-0.1 3,-1.8 -0.372 16.4-136.4 -63.8 135.9 50.6 26.1 84.9 10 13 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 5,-0.2 0.696 102.9 72.2 -65.4 -18.1 53.9 24.8 83.4 11 14 A A H 34 S+ 0 0 43 3,-0.1 -2,-0.1 2,-0.1 4,-0.0 0.740 110.9 34.8 -62.4 -16.1 54.1 22.4 86.4 12 15 A E H <4 S+ 0 0 138 -3,-1.8 3,-0.4 2,-0.1 -1,-0.1 0.887 122.4 36.2-105.1 -58.0 51.2 20.7 84.5 13 16 A V H < S+ 0 0 62 -4,-1.8 -2,-0.1 1,-0.2 19,-0.1 0.767 122.1 44.1 -76.7 -24.3 51.7 21.1 80.8 14 17 A L S < S+ 0 0 8 -4,-1.4 224,-2.1 -5,-0.2 -1,-0.2 0.503 86.2 118.2-100.1 -3.3 55.5 20.7 80.8 15 18 A R B -A 237 0A 112 -3,-0.4 2,-0.8 222,-0.2 222,-0.2 -0.245 65.9-128.3 -62.0 143.7 55.7 17.8 83.2 16 19 A V + 0 0 9 220,-1.9 220,-0.4 215,-0.1 2,-0.1 -0.861 43.9 169.3 -94.5 103.4 57.2 14.4 82.1 17 20 A G > - 0 0 25 -2,-0.8 3,-1.8 218,-0.1 213,-0.1 -0.363 54.2 -78.7-107.4-175.8 54.5 11.9 83.1 18 21 A S T 3 S+ 0 0 141 1,-0.3 -2,-0.0 -2,-0.1 -1,-0.0 0.874 130.4 53.5 -55.4 -36.5 53.9 8.3 82.4 19 22 A G T 3 S+ 0 0 75 2,-0.0 -1,-0.3 0, 0.0 -3,-0.0 0.706 86.5 132.3 -63.1 -21.2 52.5 9.3 78.9 20 23 A F < + 0 0 56 -3,-1.8 2,-0.3 206,-0.1 -4,-0.1 0.029 25.6 167.7 -60.9 137.0 55.6 11.3 77.9 21 24 A S > - 0 0 72 1,-0.0 3,-0.7 0, 0.0 4,-0.4 -0.985 29.7-145.2-136.7 136.5 57.6 11.1 74.7 22 25 A L T 3 S+ 0 0 21 -2,-0.3 3,-0.4 1,-0.2 -1,-0.0 0.681 99.3 61.0 -72.3 -16.1 60.3 13.7 73.7 23 26 A A T 3 S+ 0 0 99 1,-0.2 -1,-0.2 3,-0.1 -3,-0.0 0.795 95.0 61.9 -79.9 -28.8 59.3 13.4 70.0 24 27 A G S < S+ 0 0 66 -3,-0.7 2,-0.4 2,-0.1 -1,-0.2 0.652 86.4 99.0 -65.5 -14.9 55.8 14.7 70.8 25 28 A V - 0 0 29 -4,-0.4 214,-0.0 -3,-0.4 -3,-0.0 -0.632 64.6-152.3 -80.2 128.4 57.4 17.9 72.1 26 29 A D > - 0 0 89 -2,-0.4 3,-1.6 1,-0.1 155,-0.1 -0.882 3.5-155.3 -99.6 112.1 57.4 20.9 69.6 27 30 A P T 3 S+ 0 0 21 0, 0.0 215,-2.0 0, 0.0 216,-0.5 0.575 93.3 55.7 -63.3 -10.9 60.4 23.1 70.4 28 31 A E T 3 S+ 0 0 81 214,-0.2 154,-0.0 213,-0.1 -3,-0.0 0.616 87.6 99.3 -97.1 -19.3 58.5 26.1 68.8 29 32 A S < - 0 0 39 -3,-1.6 214,-0.3 1,-0.1 213,-0.1 -0.139 61.4-148.3 -66.1 164.4 55.4 25.8 71.0 30 33 A T > - 0 0 35 3,-0.2 3,-2.5 211,-0.0 5,-0.1 -0.585 27.8-155.5-127.4 60.7 54.6 28.0 74.1 31 34 A P T 3 S+ 0 0 32 0, 0.0 -17,-0.1 0, 0.0 3,-0.1 -0.110 71.6 6.1 -55.9 134.8 52.6 25.5 76.1 32 35 A G T 3 S+ 0 0 20 1,-0.1 -25,-2.1 -19,-0.1 -24,-1.7 0.297 107.9 104.5 80.8 -6.8 50.2 26.9 78.6 33 36 A Y < - 0 0 10 -3,-2.5 -3,-0.2 -27,-0.2 -1,-0.1 -0.937 42.9-179.2-117.9 124.7 50.8 30.4 77.4 34 37 A T + 0 0 107 -2,-0.5 2,-0.1 -29,-0.4 -1,-0.1 0.375 60.1 79.6-101.1 -1.7 48.3 32.2 75.3 35 38 A G S S- 0 0 9 -31,-0.1 2,-0.2 -5,-0.1 -2,-0.1 -0.423 71.7-124.9 -96.4-178.2 50.2 35.5 74.8 36 39 A V >> - 0 0 97 -2,-0.1 4,-2.0 210,-0.0 3,-0.9 -0.518 43.9 -70.7-116.3-173.5 53.1 36.4 72.4 37 40 A K H 3> S+ 0 0 123 1,-0.3 4,-2.8 2,-0.2 5,-0.3 0.861 128.3 52.1 -48.3 -50.7 56.6 37.8 72.9 38 41 A A H 3> S+ 0 0 58 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.876 114.2 45.3 -56.2 -37.9 55.5 41.4 73.8 39 42 A D H <> S+ 0 0 34 -3,-0.9 4,-2.0 2,-0.2 -35,-0.6 0.793 111.8 52.4 -72.4 -33.7 53.3 39.9 76.5 40 43 A G H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.873 106.0 52.8 -72.1 -42.0 56.0 37.5 77.7 41 44 A K H X S+ 0 0 108 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.879 111.5 47.8 -61.4 -35.8 58.5 40.3 78.0 42 45 A A H X S+ 0 0 26 -4,-1.2 4,-1.1 -5,-0.3 -2,-0.2 0.875 111.5 49.2 -76.2 -33.8 56.0 42.1 80.2 43 46 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 -41,-0.2 3,-0.3 0.905 105.2 60.2 -64.3 -40.1 55.3 39.0 82.2 44 47 A L H X S+ 0 0 21 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.862 103.5 49.1 -56.1 -39.6 59.0 38.5 82.7 45 48 A A H X S+ 0 0 64 -4,-1.1 4,-1.1 1,-0.2 -1,-0.2 0.818 113.4 46.5 -74.7 -29.2 59.4 41.8 84.4 46 49 A A H X S+ 0 0 31 -4,-1.1 4,-2.3 -3,-0.3 -1,-0.2 0.875 109.3 54.9 -75.9 -39.7 56.5 41.1 86.8 47 50 A Q H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.888 102.6 58.7 -57.1 -39.4 57.9 37.6 87.4 48 51 A D H X S+ 0 0 41 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.874 107.1 44.8 -59.9 -48.8 61.2 39.2 88.5 49 52 A A H X S+ 0 0 66 -4,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.904 114.6 49.7 -62.2 -44.7 59.5 41.3 91.3 50 53 A R H X S+ 0 0 85 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.914 112.0 47.4 -59.1 -45.2 57.5 38.3 92.4 51 54 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.913 108.8 54.8 -64.0 -44.2 60.6 36.0 92.5 52 55 A A H X S+ 0 0 39 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.930 111.9 44.9 -55.8 -45.2 62.6 38.7 94.4 53 56 A E H X S+ 0 0 101 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.954 115.2 45.9 -64.9 -47.5 59.9 38.8 97.1 54 57 A L H X S+ 0 0 33 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.831 113.0 48.2 -74.3 -26.6 59.5 35.0 97.3 55 58 A Q H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.890 108.4 55.5 -74.2 -38.3 63.2 34.3 97.5 56 59 A E H X S+ 0 0 49 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.888 108.6 48.6 -64.2 -35.8 63.7 36.9 100.1 57 60 A K H X S+ 0 0 28 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.928 107.6 53.3 -67.0 -47.8 61.1 35.2 102.2 58 61 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.951 113.6 45.5 -45.7 -52.3 62.7 31.7 101.7 59 62 A F H X S+ 0 0 61 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.915 111.5 49.5 -58.4 -47.7 65.9 33.3 103.0 60 63 A A H X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.924 112.6 49.0 -62.6 -43.9 64.3 35.2 105.9 61 64 A E H ><>S+ 0 0 36 -4,-3.0 5,-2.5 1,-0.2 3,-1.0 0.913 109.7 51.5 -62.0 -45.3 62.6 31.9 107.0 62 65 A G H ><5S+ 0 0 16 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.905 104.4 56.5 -58.2 -40.7 65.8 30.1 106.7 63 66 A K H 3<5S+ 0 0 129 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.721 108.8 50.1 -63.8 -17.2 67.6 32.7 108.9 64 67 A F T <<5S- 0 0 76 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.087 133.1 -84.7-110.8 22.0 64.9 31.9 111.5 65 68 A G T < 5S+ 0 0 67 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.430 77.2 143.7 91.6 0.5 65.3 28.1 111.4 66 69 A N < - 0 0 28 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.531 38.0-154.3 -68.1 134.1 63.0 27.0 108.5 67 70 A P + 0 0 74 0, 0.0 -1,-0.1 0, 0.0 60,-0.1 0.590 53.2 116.4 -87.5 -2.6 64.7 24.1 106.8 68 71 A K + 0 0 63 58,-0.1 59,-2.2 59,-0.1 2,-0.3 -0.272 32.4 154.4 -73.8 149.5 63.1 24.6 103.3 69 72 A R E -b 173 0A 15 103,-1.6 105,-2.2 57,-0.2 2,-0.3 -0.916 29.4-124.6-157.5 178.0 65.2 25.4 100.3 70 73 A L E -bc 174 129A 0 58,-2.3 60,-3.5 -2,-0.3 2,-0.4 -0.979 9.3-163.2-142.2 148.3 65.1 25.1 96.6 71 74 A L E -bc 175 130A 0 103,-2.3 105,-3.1 -2,-0.3 2,-0.6 -0.955 5.1-163.5-139.3 112.3 67.2 23.6 93.8 72 75 A L E -bc 176 131A 0 58,-3.1 60,-3.2 -2,-0.4 2,-0.5 -0.886 9.0-164.9 -94.4 120.8 66.9 24.5 90.1 73 76 A I E -bc 177 132A 0 103,-2.7 105,-3.3 -2,-0.6 2,-0.5 -0.957 3.7-168.9-108.5 119.7 68.5 22.0 87.8 74 77 A L E +bc 178 133A 0 58,-2.9 60,-2.1 -2,-0.5 2,-0.4 -0.924 9.4 171.8-107.4 126.2 69.1 23.1 84.2 75 78 A Q E +b 179 0A 0 103,-2.3 105,-2.3 -2,-0.5 2,-0.3 -0.983 16.1 134.6-124.0 145.1 70.1 20.7 81.4 76 79 A A E -b 180 0A 6 -2,-0.4 105,-0.1 103,-0.2 3,-0.1 -0.920 53.4 -89.3-173.6 158.6 70.3 21.5 77.7 77 80 A X > - 0 0 20 103,-0.5 3,-2.0 -2,-0.3 5,-0.3 -0.333 64.9 -79.9 -67.7 157.9 72.4 21.2 74.5 78 81 A D T 3 S+ 0 0 57 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 -0.268 120.4 27.8 -64.6 148.5 74.8 24.1 73.9 79 82 A T T 3 S+ 0 0 15 -3,-0.1 -1,-0.3 111,-0.1 -2,-0.1 0.114 88.4 109.5 87.6 -21.8 73.2 27.1 72.4 80 83 A A S < S- 0 0 3 -3,-2.0 -2,-0.1 1,-0.1 -3,-0.1 0.620 92.7-108.5 -68.1 -12.5 69.8 26.2 74.1 81 84 A G S > S+ 0 0 25 -4,-0.2 4,-1.8 -5,-0.1 5,-0.2 0.765 71.2 139.8 95.6 30.2 70.2 29.2 76.5 82 85 A K H > S+ 0 0 11 -5,-0.3 4,-3.2 2,-0.2 5,-0.3 0.951 77.2 54.6 -64.2 -47.6 71.0 27.8 80.0 83 86 A G H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 110.4 44.9 -50.7 -48.7 73.5 30.5 80.6 84 87 A G H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.857 113.6 48.2 -67.8 -40.0 71.0 33.2 79.8 85 88 A I H X S+ 0 0 8 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.946 111.7 50.2 -66.6 -43.0 68.3 31.7 81.8 86 89 A V H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.3 5,-0.3 0.950 112.0 48.9 -58.1 -49.7 70.6 31.2 84.8 87 90 A S H X S+ 0 0 26 -4,-2.6 4,-1.6 -5,-0.3 -1,-0.3 0.825 112.5 47.4 -58.6 -37.6 71.7 34.8 84.5 88 91 A H H X S+ 0 0 51 -4,-1.8 4,-0.9 2,-0.2 -1,-0.2 0.965 114.6 44.1 -71.8 -46.9 68.2 36.0 84.4 89 92 A V H >X S+ 0 0 1 -4,-3.0 3,-0.9 1,-0.2 4,-0.6 0.936 115.8 47.7 -62.4 -49.2 66.9 34.0 87.3 90 93 A V H >< S+ 0 0 10 -4,-3.0 3,-1.4 -5,-0.3 -1,-0.2 0.924 109.1 54.9 -59.4 -39.9 69.9 34.7 89.5 91 94 A G H 3< S+ 0 0 29 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.625 100.6 57.5 -71.4 -15.5 69.7 38.4 88.7 92 95 A A H << S+ 0 0 15 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.633 106.8 65.7 -82.3 -15.0 66.1 38.7 89.8 93 96 A X S << S- 0 0 4 -3,-1.4 -41,-0.1 -4,-0.6 5,-0.1 -0.487 96.5 -98.2-103.2 167.1 67.3 37.4 93.2 94 97 A D > - 0 0 45 -42,-0.2 3,-2.5 -2,-0.2 4,-0.1 -0.839 33.5-141.3 -80.7 121.7 69.5 38.6 96.0 95 98 A P G > S+ 0 0 21 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.724 99.4 65.3 -59.6 -25.0 72.9 36.9 95.3 96 99 A Q G 3 S+ 0 0 60 1,-0.2 570,-0.0 551,-0.1 -2,-0.0 0.634 103.0 50.7 -73.1 -4.9 73.5 36.4 99.0 97 100 A G G < S+ 0 0 1 -3,-2.5 32,-2.3 31,-0.1 2,-0.4 0.317 102.8 75.3-108.9 7.4 70.4 34.1 98.8 98 101 A V E < -d 129 0A 16 -3,-1.4 2,-0.6 30,-0.2 32,-0.2 -0.949 54.4-164.3-129.7 137.0 71.6 32.0 95.8 99 102 A Q E -d 130 0A 52 30,-2.3 32,-2.8 -2,-0.4 2,-0.5 -0.951 20.1-173.5-121.2 99.9 74.2 29.3 95.4 100 103 A L E -d 131 0A 48 -2,-0.6 2,-0.4 30,-0.2 32,-0.2 -0.854 6.4-179.6 -93.6 132.3 75.0 28.9 91.7 101 104 A T E -d 132 0A 24 30,-3.0 32,-2.3 -2,-0.5 2,-0.7 -0.987 13.8-165.7-128.5 125.4 77.2 26.1 90.4 102 105 A A E -d 133 0A 38 -2,-0.4 2,-0.2 30,-0.2 32,-0.2 -0.911 25.6-141.1-101.6 97.8 78.1 25.6 86.7 103 106 A F - 0 0 14 30,-1.3 2,-0.1 -2,-0.7 32,-0.1 -0.456 22.5-173.1 -63.7 123.9 79.5 22.1 86.7 104 107 A K - 0 0 77 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 -0.331 46.6 -51.3-103.9-171.0 82.5 21.9 84.3 105 108 A A S S- 0 0 87 -2,-0.1 -1,-0.2 1,-0.1 2,-0.1 -0.365 77.1 -92.2 -65.2 148.3 84.4 18.7 83.3 106 109 A P - 0 0 40 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.375 34.9-127.4 -66.9 141.4 85.4 16.8 86.3 107 110 A T > - 0 0 65 -3,-0.1 4,-3.2 1,-0.1 5,-0.2 -0.307 31.1-103.5 -71.2 162.5 88.8 17.3 88.0 108 111 A D H > S+ 0 0 131 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.959 127.0 52.3 -55.0 -50.3 91.1 14.3 88.7 109 112 A E H >4 S+ 0 0 108 1,-0.2 3,-1.0 2,-0.2 4,-0.3 0.963 113.0 45.5 -45.5 -54.6 90.1 14.6 92.4 110 113 A E H >4 S+ 0 0 44 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.893 107.9 55.6 -61.3 -38.7 86.5 14.5 91.2 111 114 A K H 3< S+ 0 0 133 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.758 102.0 59.2 -67.1 -19.9 87.0 11.6 88.8 112 115 A S T << S+ 0 0 41 -4,-1.5 296,-2.4 -3,-1.0 -1,-0.3 0.464 101.1 66.1 -94.9 3.6 88.4 9.5 91.6 113 116 A H S < S- 0 0 16 -3,-1.6 294,-0.1 -4,-0.3 5,-0.0 -0.744 102.5 -80.4-106.7 166.9 85.1 9.9 93.7 114 117 A D > - 0 0 20 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.291 52.4-106.5 -56.1 151.6 81.6 8.5 93.0 115 118 A F T 3 S+ 0 0 19 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.775 116.6 54.6 -67.5 -27.3 79.9 10.8 90.5 116 119 A L T 3> S+ 0 0 7 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.551 84.0 85.7 -75.6 -10.3 77.6 12.4 93.1 117 120 A W H <> S+ 0 0 7 -3,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.968 92.8 43.5 -61.6 -48.3 80.3 13.4 95.5 118 121 A R H 4 S+ 0 0 20 -4,-0.5 4,-0.4 -3,-0.3 -1,-0.2 0.788 115.0 50.6 -68.4 -23.3 80.9 16.8 93.7 119 122 A I H >4 S+ 0 0 0 -4,-0.4 3,-1.3 2,-0.2 4,-0.4 0.913 105.6 53.3 -78.7 -46.6 77.3 17.4 93.4 120 123 A E H >< S+ 0 0 20 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.810 100.6 63.3 -56.5 -37.1 76.4 16.8 97.0 121 124 A K T 3< S+ 0 0 54 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.822 106.7 44.4 -54.9 -32.6 79.0 19.3 98.0 122 125 A Q T < S+ 0 0 71 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.2 0.404 76.7 128.5-101.8 2.4 77.1 22.0 96.3 123 126 A V < - 0 0 7 -3,-1.0 -52,-0.1 -4,-0.4 -3,-0.0 -0.208 69.4 -95.3 -59.9 145.3 73.5 21.4 97.3 124 127 A P - 0 0 1 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.263 34.9-126.0 -71.0 151.8 71.9 24.5 98.7 125 128 A A > - 0 0 6 1,-0.2 3,-2.3 -3,-0.1 -55,-0.2 -0.433 49.8 -61.3 -81.1 165.0 71.8 25.2 102.4 126 129 A A T 3 S+ 0 0 20 268,-2.4 -57,-0.2 1,-0.3 -1,-0.2 -0.145 126.7 15.1 -39.7 130.8 68.6 26.0 104.4 127 130 A G T 3 S+ 0 0 1 -59,-2.2 -1,-0.3 1,-0.2 2,-0.3 0.511 104.7 119.1 76.8 2.9 66.9 29.1 103.1 128 131 A X < - 0 0 30 -3,-2.3 -58,-2.3 -70,-0.1 2,-0.6 -0.686 59.6-139.3-105.2 153.8 68.9 29.1 99.9 129 132 A V E -cd 70 98A 0 -32,-2.3 -30,-2.3 -2,-0.3 2,-0.4 -0.964 26.0-159.5-102.3 116.3 68.0 28.9 96.2 130 133 A G E -cd 71 99A 0 -60,-3.5 -58,-3.1 -2,-0.6 2,-0.5 -0.813 5.0-162.1 -97.2 137.7 70.5 26.7 94.5 131 134 A V E -cd 72 100A 1 -32,-2.8 -30,-3.0 -2,-0.4 2,-0.7 -0.979 2.6-165.0-123.0 122.1 71.1 26.8 90.8 132 135 A F E -cd 73 101A 0 -60,-3.2 -58,-2.9 -2,-0.5 2,-0.9 -0.908 4.7-164.6-103.4 102.0 72.8 23.9 88.9 133 136 A D E S-cd 74 102A 5 -32,-2.3 -30,-1.3 -2,-0.7 -58,-0.1 -0.839 85.0 -7.6 -80.9 105.8 73.9 24.9 85.4 134 137 A R S S- 0 0 66 -60,-2.1 -31,-0.4 -2,-0.9 -60,-0.2 0.100 91.6-174.8 63.7 163.4 74.4 21.3 84.3 135 138 A S > - 0 0 0 -62,-0.1 3,-1.1 -33,-0.1 4,-0.3 -0.681 43.0 -44.2-158.1-160.4 74.1 18.7 87.0 136 139 A Q G > S+ 0 0 1 1,-0.2 3,-1.3 -2,-0.2 4,-0.1 0.735 118.5 73.1 -64.1 -22.7 74.4 15.0 88.1 137 140 A Y G > S+ 0 0 0 1,-0.3 3,-2.8 2,-0.2 4,-0.4 0.745 74.5 77.9 -66.2 -24.9 72.6 14.1 84.9 138 141 A E G X>>S+ 0 0 40 -3,-1.1 3,-1.5 1,-0.3 5,-1.1 0.868 87.4 62.8 -51.1 -33.7 75.7 14.9 82.8 139 142 A D G <45S+ 0 0 12 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.490 108.0 39.3 -78.3 -4.5 76.9 11.5 84.1 140 143 A V G <45S+ 0 0 0 -3,-2.8 -1,-0.3 3,-0.1 -2,-0.2 0.177 121.3 43.1-117.7 16.5 74.1 9.7 82.3 141 144 A L T <>5S+ 0 0 2 -3,-1.5 4,-2.3 -4,-0.4 5,-0.2 0.651 118.9 28.6-117.4 -74.8 74.1 11.8 79.1 142 145 A I H X5S+ 0 0 44 -4,-1.0 4,-2.3 1,-0.2 6,-0.3 0.958 124.1 52.5 -57.8 -45.9 77.5 12.5 77.7 143 146 A H H 4XS+ 0 0 37 -5,-1.1 5,-2.0 1,-0.2 6,-0.7 0.855 110.7 47.9 -60.7 -36.0 78.8 9.3 79.2 144 147 A R H >45S+ 0 0 73 3,-0.2 3,-2.4 2,-0.2 5,-0.2 0.997 110.0 49.9 -66.1 -61.6 76.0 7.3 77.6 145 148 A V H 3<5S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.839 116.3 42.4 -39.8 -50.0 76.4 8.8 74.1 146 149 A H T 3<5S- 0 0 50 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.208 110.3-115.5 -94.2 17.1 80.2 8.2 74.1 147 150 A G T < 5 + 0 0 62 -3,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.741 69.5 139.6 59.0 26.3 80.1 4.7 75.6 148 151 A W S - 0 0 106 -2,-0.3 4,-2.4 1,-0.1 3,-0.4 -0.286 37.5 -96.4 -79.0 166.0 78.0 0.3 80.3 151 154 A A H > S+ 0 0 81 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.781 124.3 55.0 -48.0 -33.0 74.3 -0.4 80.6 152 155 A A H > S+ 0 0 72 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.948 109.2 42.9 -66.5 -54.1 74.9 -1.7 84.1 153 156 A E H > S+ 0 0 61 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.945 113.3 53.2 -61.8 -49.7 76.6 1.4 85.5 154 157 A L H X S+ 0 0 13 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.938 108.2 51.1 -48.5 -51.2 74.1 3.7 83.8 155 158 A E H X S+ 0 0 95 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.922 110.6 47.7 -55.7 -45.3 71.4 1.7 85.5 156 159 A R H X S+ 0 0 46 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.867 109.7 54.6 -65.5 -33.2 73.0 2.1 88.9 157 160 A R H X S+ 0 0 24 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.911 105.2 51.9 -67.5 -39.1 73.5 5.8 88.2 158 161 A Y H X S+ 0 0 8 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.911 112.2 46.2 -59.2 -45.3 69.8 6.3 87.5 159 162 A A H X S+ 0 0 63 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.877 111.9 51.6 -68.7 -35.5 69.0 4.6 90.8 160 163 A A H X S+ 0 0 20 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.924 107.8 51.9 -66.5 -43.0 71.6 6.7 92.7 161 164 A I H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.959 110.3 48.4 -55.3 -52.7 70.3 10.0 91.3 162 165 A N H X S+ 0 0 43 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.870 112.5 48.1 -59.1 -37.4 66.7 9.1 92.4 163 166 A D H X S+ 0 0 52 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.920 113.7 48.7 -68.8 -45.2 68.0 8.1 95.9 164 167 A F H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 5,-0.2 0.945 111.7 46.5 -54.6 -56.4 69.9 11.4 96.0 165 168 A E H X S+ 0 0 1 -4,-3.5 4,-2.2 1,-0.2 -1,-0.2 0.892 111.8 53.8 -59.3 -34.3 67.0 13.5 94.9 166 169 A S H X S+ 0 0 47 -4,-1.8 4,-1.9 -5,-0.3 -1,-0.2 0.888 107.9 49.3 -67.2 -35.6 64.9 11.6 97.4 167 170 A R H X S+ 0 0 18 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.943 111.7 49.2 -68.0 -43.8 67.4 12.4 100.3 168 171 A L H <>S+ 0 0 1 -4,-2.6 5,-2.5 1,-0.2 -2,-0.2 0.897 110.1 50.4 -62.9 -41.0 67.4 16.1 99.3 169 172 A T H ><5S+ 0 0 43 -4,-2.2 3,-1.4 -5,-0.2 -1,-0.2 0.913 110.2 49.8 -64.4 -42.4 63.7 16.3 99.2 170 173 A E H 3<5S+ 0 0 137 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.885 106.2 56.7 -64.2 -36.8 63.4 14.7 102.6 171 174 A Q T 3<5S- 0 0 44 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.402 133.5 -86.5 -73.2 3.0 66.0 17.2 104.0 172 175 A G T < 5S+ 0 0 19 -3,-1.4 -103,-1.6 1,-0.3 2,-0.4 0.308 83.2 135.4 111.9 -12.7 63.7 20.2 102.9 173 176 A T E < -b 69 0A 3 -5,-2.5 2,-0.6 -105,-0.2 -1,-0.3 -0.562 41.8-153.8 -79.7 124.1 64.8 20.7 99.2 174 177 A T E -b 70 0A 45 -105,-2.2 -103,-2.3 -2,-0.4 2,-0.7 -0.902 20.2-148.9 -89.1 121.1 62.2 21.3 96.6 175 178 A I E -b 71 0A 6 -2,-0.6 2,-0.7 58,-0.5 -103,-0.2 -0.806 14.3-171.0-101.6 117.6 63.8 20.2 93.3 176 179 A V E -b 72 0A 7 -105,-3.1 -103,-2.7 -2,-0.7 2,-0.5 -0.900 8.6-167.6-105.4 107.0 62.8 21.9 90.1 177 180 A K E -be 73 236A 0 58,-0.9 60,-0.8 -2,-0.7 2,-0.4 -0.810 7.4-178.6-101.8 127.1 64.3 20.0 87.1 178 181 A V E -be 74 237A 0 -105,-3.3 -103,-2.3 -2,-0.5 2,-0.5 -0.978 15.2-166.8-129.0 130.9 64.2 21.7 83.7 179 182 A X E -be 75 238A 1 58,-2.9 60,-2.7 -2,-0.4 2,-0.7 -0.974 16.2-146.9-113.6 120.9 65.4 20.6 80.3 180 183 A L E -be 76 239A 2 -105,-2.3 2,-0.6 -2,-0.5 -103,-0.5 -0.788 18.6-158.9 -86.3 116.6 65.5 23.3 77.6 181 184 A N E + e 0 240A 9 58,-2.1 60,-2.7 -2,-0.7 61,-0.5 -0.819 16.9 170.2-108.2 113.7 64.7 21.6 74.3 182 185 A I - 0 0 4 -2,-0.6 2,-0.1 59,-0.2 -105,-0.1 -0.897 35.8-107.9-114.8 154.5 65.7 23.2 71.0 183 186 A S > - 0 0 33 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.414 30.0-111.1 -73.1 151.8 65.4 21.6 67.6 184 187 A K H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.865 120.9 51.0 -51.5 -34.3 68.6 20.4 65.7 185 188 A D H > S+ 0 0 112 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.896 103.2 56.3 -73.2 -40.3 68.0 23.2 63.2 186 189 A E H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 105.9 52.6 -52.9 -42.0 67.6 25.9 65.9 187 190 A Q H X S+ 0 0 3 -4,-1.9 4,-2.8 2,-0.2 5,-0.2 0.937 109.8 48.2 -60.3 -45.9 71.1 24.9 67.2 188 191 A K H X S+ 0 0 52 -4,-1.5 4,-2.5 1,-0.2 5,-0.2 0.938 110.6 51.1 -57.9 -48.3 72.4 25.3 63.6 189 192 A K H X S+ 0 0 140 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.887 112.4 48.1 -56.8 -39.1 70.8 28.7 63.4 190 193 A R H X S+ 0 0 20 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.909 110.3 48.1 -73.2 -41.5 72.4 29.7 66.7 191 194 A L H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.909 112.0 51.8 -65.9 -38.2 75.9 28.5 65.8 192 195 A I H X S+ 0 0 29 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.924 106.0 54.5 -61.3 -44.5 75.7 30.4 62.5 193 196 A A H X S+ 0 0 45 -4,-1.9 4,-1.2 -5,-0.2 -1,-0.2 0.883 105.2 54.0 -59.3 -34.2 74.6 33.5 64.4 194 197 A R H < S+ 0 0 44 -4,-1.9 3,-0.3 1,-0.2 6,-0.3 0.935 110.5 45.6 -65.5 -40.5 77.7 33.3 66.6 195 198 A L H < S+ 0 0 3 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.888 112.6 51.3 -68.8 -35.3 79.9 33.2 63.5 196 199 A D H < S+ 0 0 89 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.643 102.3 67.5 -75.3 -16.2 78.0 36.1 61.8 197 200 A D >< - 0 0 59 -4,-1.2 3,-2.1 -3,-0.3 4,-0.4 -0.924 66.4-159.5-112.4 113.5 78.3 38.4 64.9 198 201 A P G > S+ 0 0 76 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.802 93.9 63.5 -54.2 -37.6 81.8 39.6 65.7 199 202 A S G 3 S+ 0 0 28 1,-0.2 3,-0.1 2,-0.1 -5,-0.1 0.685 107.9 44.9 -60.5 -17.7 80.8 40.3 69.2 200 203 A K G X> S+ 0 0 71 -3,-2.1 3,-1.6 -6,-0.3 4,-0.5 0.452 79.3 96.1-110.6 -1.0 80.1 36.5 69.5 201 204 A H G X4 S+ 0 0 10 -3,-0.9 3,-1.8 -4,-0.4 -2,-0.1 0.898 77.8 65.2 -53.2 -41.9 83.2 34.9 67.9 202 205 A W G 34 S+ 0 0 21 -4,-0.4 -1,-0.3 629,-0.4 -2,-0.1 0.747 103.4 48.6 -54.4 -24.0 84.8 34.5 71.4 203 206 A K G <4 S+ 0 0 63 -3,-1.6 -1,-0.3 -9,-0.1 -2,-0.2 0.587 82.0 110.8 -90.7 -15.9 82.0 32.1 72.3 204 207 A Y << - 0 0 19 -3,-1.8 2,-0.4 -4,-0.5 3,-0.1 -0.430 47.3-169.4 -68.8 134.9 82.1 29.8 69.2 205 208 A S >> - 0 0 52 1,-0.1 3,-1.8 -2,-0.1 4,-0.7 -0.985 26.8-150.4-127.8 124.6 83.4 26.3 70.0 206 209 A R H >> S+ 0 0 137 -2,-0.4 4,-2.4 1,-0.3 3,-1.2 0.857 97.7 72.4 -53.7 -36.9 84.3 23.7 67.4 207 210 A G H 3> S+ 0 0 35 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.757 91.0 56.5 -48.7 -31.3 83.2 21.2 70.1 208 211 A D H <> S+ 0 0 11 -3,-1.8 4,-0.6 2,-0.2 -1,-0.3 0.814 107.6 46.9 -73.0 -31.4 79.6 22.2 69.5 209 212 A L H XX S+ 0 0 21 -3,-1.2 3,-1.4 -4,-0.7 4,-0.7 0.950 108.1 57.2 -72.6 -49.4 79.8 21.3 65.8 210 213 A A H >< S+ 0 0 53 -4,-2.4 3,-1.4 1,-0.3 4,-0.3 0.918 106.4 49.6 -37.4 -57.0 81.6 18.0 66.7 211 214 A E H >< S+ 0 0 49 -4,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.613 89.1 77.7 -76.0 -11.9 78.6 16.9 68.8 212 215 A R H X< S+ 0 0 6 -3,-1.4 3,-2.0 -4,-0.6 -1,-0.3 0.865 87.0 64.7 -58.2 -34.8 75.9 17.7 66.3 213 216 A A T << S+ 0 0 85 -3,-1.4 3,-0.3 -4,-0.7 -1,-0.3 0.823 105.8 43.9 -55.8 -28.4 77.0 14.4 64.7 214 217 A Y T X> S+ 0 0 101 -3,-1.3 4,-2.1 -4,-0.3 3,-0.7 0.280 79.3 119.8-101.5 16.5 75.8 12.8 67.9 215 218 A W H <> S+ 0 0 12 -3,-2.0 4,-2.1 1,-0.3 -1,-0.2 0.800 74.1 44.8 -53.9 -43.3 72.5 14.8 68.2 216 219 A D H 3> S+ 0 0 119 -3,-0.3 4,-1.6 -4,-0.2 -1,-0.3 0.826 109.5 56.5 -77.4 -27.9 70.0 11.9 68.1 217 220 A D H <> S+ 0 0 82 -3,-0.7 4,-2.8 2,-0.2 -2,-0.2 0.943 108.2 49.5 -63.3 -47.6 72.1 9.8 70.6 218 221 A Y H X S+ 0 0 18 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.915 108.1 51.9 -55.8 -48.2 71.8 12.8 73.0 219 222 A X H X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.872 111.4 48.5 -57.1 -35.3 68.0 13.0 72.4 220 223 A D H X S+ 0 0 76 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.910 109.2 52.5 -68.1 -44.3 67.8 9.3 73.2 221 224 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.916 111.8 46.7 -56.6 -45.1 70.0 9.7 76.4 222 225 A Y H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.938 111.5 49.6 -63.2 -48.2 67.7 12.4 77.6 223 226 A S H X S+ 0 0 28 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.884 113.8 45.4 -67.0 -36.1 64.5 10.5 76.9 224 227 A V H X S+ 0 0 23 -4,-2.8 4,-2.3 2,-0.2 3,-0.3 0.969 110.2 54.5 -67.8 -52.0 65.8 7.5 78.7 225 228 A A H X S+ 0 0 2 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.843 109.3 49.6 -42.4 -43.9 67.0 9.6 81.6 226 229 A F H X S+ 0 0 3 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.872 108.7 50.2 -71.0 -38.0 63.5 11.0 81.8 227 230 A E H < S+ 0 0 155 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.847 119.8 39.8 -63.6 -32.3 61.9 7.5 81.8 228 231 A K H < S+ 0 0 82 -4,-2.3 -2,-0.2 -5,-0.1 -1,-0.2 0.832 127.4 26.0 -86.1 -32.2 64.3 6.6 84.6 229 232 A T H < S+ 0 0 0 -4,-2.3 2,-1.0 -5,-0.2 -3,-0.2 0.329 82.0 106.3-127.1 3.1 64.4 9.7 86.8 230 233 A S < + 0 0 27 -4,-1.6 2,-0.2 -5,-0.1 -4,-0.0 -0.760 52.6 168.1 -85.6 102.1 61.2 11.7 86.4 231 234 A T - 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0 0 24 -2,-0.3 3,-1.8 1,-0.1 4,-0.5 -0.252 52.2-107.8 -54.1 147.0 71.8 17.9 106.8 397 118 B F T 34 S+ 0 0 19 1,-0.3 3,-0.2 2,-0.1 4,-0.2 0.731 116.0 52.9 -58.9 -28.8 74.2 16.4 109.3 398 119 B L T 3> S+ 0 0 10 1,-0.2 4,-3.3 2,-0.1 -1,-0.3 0.528 86.8 84.1 -83.9 -8.5 75.9 14.0 106.8 399 120 B W H <> S+ 0 0 18 -3,-1.8 4,-2.1 1,-0.3 -1,-0.2 0.953 93.9 42.9 -60.2 -54.0 76.7 16.7 104.2 400 121 B R H < S+ 0 0 18 -4,-0.5 4,-0.3 -3,-0.2 -1,-0.3 0.673 115.8 51.7 -69.0 -17.0 79.9 17.8 105.9 401 122 B I H >4 S+ 0 0 0 -3,-0.2 3,-1.4 -4,-0.2 4,-0.4 0.902 105.3 53.8 -81.4 -46.6 80.7 14.1 106.4 402 123 B E H >< S+ 0 0 9 -4,-3.3 3,-1.2 1,-0.3 -2,-0.2 0.872 100.4 62.5 -54.2 -38.7 80.1 13.2 102.8 403 124 B K T 3< S+ 0 0 59 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.794 107.3 44.2 -53.5 -28.8 82.6 16.0 101.7 404 125 B Q T < S+ 0 0 73 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.396 76.9 121.8-108.0 -0.5 85.4 14.2 103.5 405 126 B V S < S- 0 0 3 -3,-1.2 2,-0.1 -4,-0.4 -52,-0.1 -0.296 71.1 -95.3 -61.7 154.3 85.0 10.6 102.5 406 127 B P - 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t 01084D 1 -104,-2.3 2,-0.5 -2,-0.5 -102,-0.5 -0.737 18.2-153.0 -83.8 131.6 117.8 18.1 97.8 1026 184 D N E + t 01085D 10 58,-2.7 60,-3.2 -2,-0.4 61,-0.6 -0.940 20.1 168.0-116.5 118.7 120.8 17.8 95.3 1027 185 D I - 0 0 4 -2,-0.5 2,-0.1 59,-0.2 -104,-0.1 -0.906 36.2-106.7-122.9 153.3 121.5 14.6 93.5 1028 186 D S > - 0 0 31 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.467 26.8-116.5 -75.8 154.2 123.9 14.0 90.6 1029 187 D K H > S+ 0 0 80 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.849 118.3 52.5 -58.3 -33.7 122.6 13.4 87.1 1030 188 D D H > S+ 0 0 128 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 105.8 53.6 -72.6 -34.6 124.1 9.9 87.2 1031 189 D E H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.870 105.6 54.0 -63.7 -38.6 122.3 9.1 90.5 1032 190 D Q H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.917 108.6 48.6 -60.6 -45.4 119.0 10.1 88.9 1033 191 D K H X S+ 0 0 45 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.922 110.4 52.3 -58.9 -43.7 119.6 7.7 86.0 1034 192 D K H X S+ 0 0 137 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.905 109.6 48.3 -63.7 -37.9 120.5 5.0 88.5 1035 193 D R H X S+ 0 0 23 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.910 110.0 51.8 -74.7 -34.4 117.3 5.6 90.4 1036 194 D L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 3,-0.3 0.969 110.8 48.0 -59.0 -48.6 115.2 5.5 87.2 1037 195 D I H X S+ 0 0 26 -4,-2.7 4,-2.8 1,-0.3 3,-0.3 0.943 108.2 55.3 -59.6 -44.3 116.7 2.2 86.3 1038 196 D A H X S+ 0 0 54 -4,-2.4 4,-0.7 1,-0.3 -1,-0.3 0.882 106.4 52.0 -52.3 -39.6 116.1 0.9 89.8 1039 197 D R H < S+ 0 0 45 -4,-2.0 3,-0.4 -3,-0.3 6,-0.3 0.880 112.9 43.1 -71.3 -34.9 112.5 1.7 89.3 1040 198 D L H < S+ 0 0 4 -4,-1.9 -2,-0.2 -3,-0.3 -1,-0.2 0.792 111.8 55.7 -75.3 -26.0 112.3 -0.2 86.0 1041 199 D D H < S+ 0 0 89 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.573 100.1 63.9 -82.8 -5.9 114.3 -3.1 87.5 1042 200 D D >X - 0 0 62 -4,-0.7 3,-2.7 -3,-0.4 4,-0.8 -0.952 70.0-150.1-126.6 112.8 111.9 -3.7 90.5 1043 201 D P G >4 S+ 0 0 90 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.807 97.1 60.3 -58.5 -27.3 108.4 -4.8 89.7 1044 202 D S G 34 S+ 0 0 24 1,-0.2 -5,-0.1 2,-0.1 -3,-0.0 0.510 106.2 47.8 -74.0 -10.2 107.1 -3.1 92.8 1045 203 D K G X4 S+ 0 0 80 -3,-2.7 3,-1.9 -6,-0.3 4,-0.4 0.487 82.2 92.9-106.3 -7.5 108.3 0.3 91.6 1046 204 D H G X< S+ 0 0 28 -4,-0.8 3,-1.8 -3,-0.5 -494,-0.2 0.882 79.6 61.6 -53.7 -39.9 106.9 0.1 88.0 1047 205 D W G 3 S+ 0 0 12 -4,-0.4 -1,-0.3 -498,-0.3 -2,-0.1 0.735 104.7 50.5 -59.5 -21.8 103.7 1.9 89.1 1048 206 D K G < S+ 0 0 86 -3,-1.9 -1,-0.3 -9,-0.1 2,-0.2 0.478 82.6 111.2 -93.5 -11.2 105.9 4.9 90.0 1049 207 D Y < - 0 0 16 -3,-1.8 2,-0.4 -4,-0.4 3,-0.1 -0.513 45.3-169.5 -75.4 136.5 107.9 5.3 86.8 1050 208 D S >> - 0 0 53 -2,-0.2 3,-1.7 1,-0.1 4,-0.5 -0.987 27.1-149.6-130.2 128.6 107.2 8.4 84.8 1051 209 D R H >> S+ 0 0 137 -2,-0.4 4,-1.3 1,-0.3 3,-1.0 0.780 97.7 74.4 -61.3 -27.8 108.4 9.2 81.2 1052 210 D G H 3> S+ 0 0 39 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.847 86.4 60.7 -53.8 -33.7 108.3 12.7 82.4 1053 211 D D H <> S+ 0 0 2 -3,-1.7 4,-1.7 2,-0.2 -1,-0.3 0.807 97.0 58.5 -66.6 -29.4 111.5 12.1 84.4 1054 212 D L H < S+ 0 0 10 -4,-1.7 3,-1.7 1,-0.2 4,-0.3 0.931 103.5 49.9 -68.1 -45.7 116.8 14.4 82.2 1058 216 D A H 3< S+ 0 0 81 -4,-1.8 -1,-0.2 1,-0.3 3,-0.2 0.860 118.7 41.6 -62.6 -29.8 117.2 16.0 78.8 1059 217 D Y T 3X S+ 0 0 126 -4,-2.3 4,-2.4 1,-0.2 3,-0.4 0.136 79.1 121.9-101.2 23.2 116.8 19.4 80.5 1060 218 D W H <> S+ 0 0 14 -3,-1.7 4,-2.8 1,-0.3 -1,-0.2 0.907 74.1 47.6 -51.5 -54.3 118.9 18.6 83.6 1061 219 D D H > S+ 0 0 108 1,-0.3 4,-3.0 -4,-0.3 -1,-0.3 0.819 110.3 53.2 -61.1 -35.2 121.3 21.5 83.1 1062 220 D D H > S+ 0 0 82 -3,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.926 109.9 46.7 -69.4 -42.8 118.5 23.9 82.5 1063 221 D Y H X S+ 0 0 23 -4,-2.4 4,-2.2 -7,-0.2 -2,-0.2 0.961 112.5 51.2 -60.1 -46.8 116.8 22.9 85.8 1064 222 D X H X S+ 0 0 23 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.930 112.2 46.7 -55.6 -45.9 120.2 23.2 87.5 1065 223 D D H X S+ 0 0 102 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.846 109.5 52.5 -63.0 -40.4 120.7 26.7 86.1 1066 224 D A H X S+ 0 0 16 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.844 109.8 51.4 -66.5 -29.8 117.2 27.7 87.0 1067 225 D Y H X S+ 0 0 4 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.903 107.9 51.4 -74.4 -39.0 118.0 26.6 90.6 1068 226 D S H X S+ 0 0 30 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.925 111.1 45.9 -58.4 -48.8 121.2 28.6 90.7 1069 227 D V H X S+ 0 0 55 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.969 112.8 52.9 -61.4 -45.4 119.5 31.9 89.6 1070 228 D A H X S+ 0 0 1 -4,-1.8 4,-1.6 1,-0.3 -2,-0.2 0.913 110.4 46.0 -56.5 -45.9 116.8 31.1 92.1 1071 229 D F H X S+ 0 0 3 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.885 112.5 50.8 -64.6 -39.3 119.3 30.7 94.9 1072 230 D E H < S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 117.5 40.1 -61.8 -39.7 121.2 33.8 94.0 1073 231 D K H < S+ 0 0 75 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.612 125.7 27.9 -87.5 -18.8 118.0 35.9 93.9 1074 232 D T H < S+ 0 0 0 -4,-1.6 2,-1.4 -5,-0.2 -3,-0.2 0.311 77.0 111.7-137.0 6.4 116.1 34.6 97.0 1075 233 D S < + 0 0 31 -4,-1.3 2,-0.1 -5,-0.2 -1,-0.0 -0.710 53.4 172.8 -80.9 91.2 118.5 33.3 99.6 1076 234 D T - 0 0 45 3,-1.7 3,-0.2 -2,-1.4 -214,-0.1 -0.417 48.3-109.2-100.9 168.4 117.8 36.0 102.1 1077 235 D E S S+ 0 0 201 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.927 121.8 41.2 -60.7 -42.7 118.8 36.6 105.7 1078 236 D I S S+ 0 0 81 1,-0.3 -58,-0.5 -59,-0.0 -1,-0.2 0.671 132.1 22.6 -80.1 -15.9 115.3 35.9 106.9 1079 237 D A S S- 0 0 0 -3,-0.2 -3,-1.7 -60,-0.1 -1,-0.3 -0.602 80.5-179.0-154.8 75.2 114.8 32.9 104.6 1080 238 D P - 0 0 31 0, 0.0 -58,-0.9 0, 0.0 2,-0.3 -0.493 25.3-117.2 -85.5 157.4 118.0 31.3 103.3 1081 239 D W E - t 01022D 0 -219,-0.4 -219,-2.3 -10,-0.2 2,-0.4 -0.660 20.8-161.6 -87.8 140.2 118.4 28.4 101.0 1082 240 D H E -Pt 8611023D 15 -60,-1.6 -58,-2.3 -2,-0.3 2,-0.6 -0.989 4.4-156.1-117.9 136.6 120.0 25.2 102.1 1083 241 D V E - t 01024D 2 -223,-2.3 -58,-0.2 -2,-0.4 -60,-0.1 -0.975 12.3-159.1-113.0 117.9 121.2 22.8 99.5 1084 242 D V E - t 01025D 0 -60,-3.0 -58,-2.7 -2,-0.6 8,-0.1 -0.859 17.9-128.8-107.1 110.5 121.4 19.2 100.8 1085 243 D P E + t 01026D 2 0, 0.0 -58,-0.2 0, 0.0 10,-0.1 -0.333 34.6 175.6 -50.0 127.6 123.6 16.6 99.1 1086 244 D A + 0 0 0 -60,-3.2 -59,-0.2 1,-0.1 6,-0.1 0.437 46.6 104.2-131.5 -1.4 121.2 13.8 98.6 1087 245 D N S S+ 0 0 14 -214,-1.3 2,-0.8 -61,-0.6 -213,-0.2 0.797 86.0 63.9 -50.9 -28.5 122.8 10.9 96.7 1088 246 D K S >> S- 0 0 66 -215,-0.6 4,-2.5 -213,-0.3 3,-0.7 -0.839 73.9-166.5 -96.6 96.9 122.8 9.4 100.2 1089 247 D K H 3> S+ 0 0 105 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.917 87.5 55.0 -38.1 -53.5 119.2 9.0 101.2 1090 248 D W H 3> S+ 0 0 31 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.831 110.8 42.8 -59.9 -37.5 120.3 8.5 104.8 1091 249 D Y H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.895 109.4 56.6 -75.7 -41.2 122.2 11.7 105.1 1092 250 D A H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.912 108.4 50.6 -54.4 -41.1 119.6 13.8 103.3 1093 251 D R H X S+ 0 0 75 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.947 112.3 42.6 -63.5 -56.3 117.1 12.6 105.9 1094 252 D I H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.868 113.4 54.9 -61.3 -30.9 119.2 13.5 109.0 1095 253 D A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.928 109.9 44.4 -68.5 -42.1 120.2 16.8 107.4 1096 254 D V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.910 115.0 48.5 -69.8 -41.0 116.6 18.0 106.8 1097 255 D Q H X S+ 0 0 2 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.863 111.1 50.8 -68.1 -33.1 115.4 16.9 110.2 1098 256 D Q H X S+ 0 0 21 -4,-1.9 4,-2.8 -5,-0.2 5,-0.3 0.920 108.0 51.8 -73.6 -38.2 118.4 18.7 111.8 1099 257 D L H X S+ 0 0 7 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.912 114.4 44.4 -58.4 -38.3 117.6 21.9 109.9 1100 258 D L H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.899 112.0 51.3 -77.5 -43.4 114.1 21.7 111.2 1101 259 D L H X S+ 0 0 8 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.948 111.7 47.4 -53.4 -52.7 115.1 20.8 114.7 1102 260 D D H X S+ 0 0 56 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.808 110.5 52.2 -63.9 -33.7 117.5 23.7 114.9 1103 261 D A H < S+ 0 0 21 -4,-1.5 4,-0.3 -5,-0.3 -1,-0.2 0.921 112.7 44.8 -68.0 -44.2 114.9 26.2 113.5 1104 262 D L H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 5,-0.3 0.922 109.4 55.6 -63.9 -41.9 112.4 25.0 116.1 1105 263 D G H >< S+ 0 0 46 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.795 100.6 62.4 -60.6 -25.0 115.1 25.2 118.8 1106 264 D G T 3< S+ 0 0 54 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.615 89.5 67.0 -74.5 -13.7 115.6 28.9 117.8 1107 265 D L T < S- 0 0 15 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.323 100.4-129.8 -89.9 2.2 112.0 29.9 118.7 1108 266 D Q < - 0 0 175 -3,-0.9 2,-0.3 -4,-0.2 -3,-0.1 0.926 40.3-175.6 45.0 65.5 112.7 29.4 122.4 1109 267 D L + 0 0 21 -5,-0.3 2,-0.3 -4,-0.1 -1,-0.2 -0.630 13.1 165.4 -93.7 149.0 109.6 27.3 122.9 1110 268 D D - 0 0 99 -2,-0.3 -203,-0.0 -207,-0.2 -210,-0.0 -0.979 44.4 -79.0-157.1 158.1 108.3 25.9 126.1 1111 269 D W - 0 0 36 -2,-0.3 -629,-0.1 1,-0.1 -208,-0.1 -0.341 54.1-109.3 -58.8 130.6 105.1 24.3 127.5 1112 270 D P - 0 0 15 0, 0.0 -628,-0.2 0, 0.0 2,-0.1 -0.335 30.2-120.0 -62.0 142.1 102.4 26.9 128.4 1113 271 D K - 0 0 182 1,-0.1 2,-0.2 -630,-0.1 -632,-0.0 -0.475 36.7 -94.5 -78.0 153.9 101.7 27.4 132.1 1114 272 D A - 0 0 25 -2,-0.1 2,-0.3 1,-0.1 4,-0.1 -0.507 21.1-150.6 -69.8 133.2 98.2 26.8 133.3 1115 273 D D S S+ 0 0 133 -2,-0.2 2,-0.3 2,-0.1 -1,-0.1 -0.329 77.5 54.4 -93.5 48.2 95.8 29.8 133.5 1116 274 D F S S- 0 0 63 -2,-0.3 2,-1.0 0, 0.0 -2,-0.1 -0.942 101.4 -76.1-162.5 176.1 94.0 28.2 136.4 1117 275 D D > - 0 0 102 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 -0.759 39.7-175.6 -88.5 100.2 94.4 26.7 139.9 1118 276 D V H > S+ 0 0 37 -2,-1.0 4,-3.3 1,-0.2 5,-0.2 0.965 81.3 54.2 -63.0 -55.1 95.9 23.2 139.3 1119 277 D A H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.884 112.2 43.8 -38.9 -53.4 95.8 22.2 142.9 1120 278 D A H > S+ 0 0 45 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.970 113.3 50.2 -67.4 -50.8 92.1 23.0 143.2 1121 279 D E H X S+ 0 0 13 -4,-2.5 4,-2.7 1,-0.3 5,-0.2 0.898 105.7 57.2 -54.7 -43.1 91.1 21.4 139.9 1122 280 D R H X S+ 0 0 92 -4,-3.3 4,-2.7 1,-0.2 -1,-0.3 0.944 106.4 49.5 -52.6 -49.0 93.0 18.3 140.9 1123 281 D A H X S+ 0 0 56 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.877 109.6 50.6 -60.1 -39.8 90.8 18.0 144.0 1124 282 D L H < S+ 0 0 91 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.894 110.8 49.9 -66.0 -38.9 87.6 18.5 141.9 1125 283 D V H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.941 107.9 53.9 -62.1 -45.4 88.8 15.7 139.6 1126 284 D V H 3< S+ 0 0 63 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.843 111.5 44.9 -57.2 -35.3 89.5 13.4 142.6 1127 285 D E T 3< 0 0 167 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.467 360.0 360.0 -87.2 -2.7 85.9 14.0 143.8 1128 286 D S < 0 0 45 -3,-1.6 -658,-0.1 -4,-0.4 -3,-0.1 -0.370 360.0 360.0 -66.9 360.0 84.4 13.4 140.3