==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 14-JUL-12 4G3I . COMPND 2 MOLECULE: DNA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR Y.Y.YAN,J.H.GAN,Z.HUANG . 683 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35626.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 16.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 39 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 3 0 0 2 3 2 2 4 0 0 0 0 1 0 3 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 4 0 1 1 4 3 2 1 2 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 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 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 0 A S 0 0 157 0, 0.0 117,-0.0 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0 137.8 41.6 1.0 -39.6 2 1 A M - 0 0 35 1,-0.1 2,-0.5 111,-0.1 109,-0.0 0.877 360.0-165.7 84.3 93.1 39.5 3.0 -37.1 3 2 A I - 0 0 12 113,-0.1 109,-2.7 115,-0.0 2,-0.4 -0.943 2.5-169.3-115.9 117.0 38.5 1.1 -34.0 4 3 A V E -AB 111 146A 0 142,-3.2 142,-2.0 -2,-0.5 2,-0.5 -0.892 5.5-158.9-106.3 133.7 35.7 2.5 -31.8 5 4 A L E -AB 110 145A 0 105,-3.4 105,-4.8 -2,-0.4 2,-0.3 -0.970 10.2-164.3-117.2 123.7 35.1 1.0 -28.4 6 5 A F E -AB 109 144A 0 138,-3.9 138,-2.6 -2,-0.5 2,-0.4 -0.859 4.2-164.3-115.7 144.2 31.7 1.6 -26.8 7 6 A V E +AB 108 143A 0 101,-2.5 101,-1.6 -2,-0.3 2,-0.4 -0.984 8.2 176.7-135.4 126.3 30.5 1.1 -23.1 8 7 A D E -AB 107 142A 18 134,-2.0 134,-1.9 -2,-0.4 99,-0.2 -0.991 27.1-130.8-136.0 125.1 27.1 0.9 -21.7 9 8 A F E > - B 0 141A 0 97,-2.0 3,-0.5 -2,-0.4 2,-0.3 -0.504 32.6-116.8 -77.4 136.7 26.2 0.3 -18.1 10 9 A D T 3 S- 0 0 1 130,-1.9 5,-0.2 1,-0.3 130,-0.2 -0.655 82.2 -23.3 -83.4 138.5 23.6 -2.4 -17.8 11 10 A Y T 3> S- 0 0 39 -2,-0.3 4,-2.1 3,-0.1 -1,-0.3 0.844 87.2-169.8 25.1 72.8 20.3 -1.5 -16.3 12 11 A F H <> + 0 0 3 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.963 69.4 42.3 -61.7 -61.6 22.2 1.4 -14.7 13 12 A Y H > S+ 0 0 32 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.874 120.1 45.0 -55.8 -42.8 19.9 3.0 -12.2 14 13 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.834 110.4 54.9 -72.6 -33.4 18.6 -0.4 -10.9 15 14 A Q H X S+ 0 0 8 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.960 106.5 50.4 -68.6 -45.0 22.1 -1.8 -10.8 16 15 A V H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.937 109.7 50.8 -55.4 -46.2 23.3 1.1 -8.6 17 16 A E H X S+ 0 0 2 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.860 110.0 52.0 -60.8 -30.8 20.4 0.5 -6.2 18 17 A E H < S+ 0 0 19 -4,-1.9 6,-0.3 2,-0.2 -2,-0.2 0.913 109.8 46.1 -68.5 -40.4 21.4 -3.2 -6.2 19 18 A V H < S+ 0 0 44 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.936 117.9 44.8 -69.7 -44.3 25.0 -2.6 -5.3 20 19 A L H < S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.804 117.3 46.2 -65.0 -30.7 23.9 -0.1 -2.6 21 20 A N >< - 0 0 0 -4,-1.6 3,-3.2 -5,-0.3 -1,-0.2 -0.664 59.4-178.8-123.9 77.3 21.1 -2.4 -1.3 22 21 A P G > S+ 0 0 102 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.757 80.8 72.7 -47.4 -28.8 22.4 -6.0 -0.8 23 22 A S G 3 S+ 0 0 25 1,-0.3 -5,-0.1 629,-0.2 -2,-0.0 0.495 88.8 63.9 -60.1 -12.2 18.8 -6.9 0.3 24 23 A L G < S+ 0 0 0 -3,-3.2 2,-0.3 -6,-0.3 -1,-0.3 -0.106 71.4 131.0 -99.2 28.6 17.7 -6.6 -3.4 25 24 A K S < S+ 0 0 126 -3,-1.0 2,-1.5 1,-0.1 -6,-0.0 -0.641 76.2 1.9 -82.3 143.1 19.9 -9.5 -4.7 26 25 A G S S+ 0 0 54 -2,-0.3 24,-0.1 1,-0.1 -1,-0.1 -0.644 109.1 88.6 90.0 -87.0 18.0 -11.9 -6.9 27 26 A K S S- 0 0 44 -2,-1.5 2,-0.3 1,-0.1 23,-0.2 0.447 84.0 -78.7 -45.9-178.6 14.5 -10.3 -7.1 28 27 A P - 0 0 23 0, 0.0 45,-3.1 0, 0.0 2,-0.4 -0.719 38.9-163.5 -93.7 144.6 13.0 -7.7 -9.5 29 28 A V E -e 73 0B 0 -2,-0.3 19,-2.0 43,-0.2 2,-0.5 -0.987 9.0-175.2-139.0 127.6 13.7 -4.0 -9.3 30 29 A V E -eF 74 47B 0 43,-2.3 45,-2.1 -2,-0.4 2,-0.5 -0.972 12.3-155.4-128.4 108.3 11.8 -1.1 -10.9 31 30 A V E -eF 75 46B 0 15,-2.4 14,-3.0 -2,-0.5 15,-1.4 -0.794 23.4-171.1 -89.0 127.4 13.2 2.5 -10.4 32 31 A C E -eF 76 44B 0 43,-3.2 45,-2.4 -2,-0.5 2,-0.7 -0.843 31.2-134.7-118.8 152.1 10.4 5.1 -10.8 33 32 A V E - F 0 43B 73 10,-3.0 10,-1.8 -2,-0.3 2,-0.5 -0.934 30.7-148.3 -95.8 109.5 9.9 8.8 -11.0 34 33 A F E - F 0 42B 77 -2,-0.7 8,-0.3 8,-0.2 5,-0.0 -0.733 3.4-145.9 -80.5 120.6 7.0 9.5 -8.6 35 34 A S - 0 0 31 6,-2.4 216,-0.2 -2,-0.5 7,-0.1 0.770 27.0-126.6 -47.6 -39.7 4.8 12.5 -9.9 36 35 A G S S+ 0 0 25 5,-0.4 -1,-0.1 2,-0.3 6,-0.1 0.277 84.2 94.4 95.2 -6.5 4.0 13.8 -6.3 37 36 A R S S- 0 0 49 4,-0.1 3,-0.1 1,-0.0 385,-0.1 0.744 85.5 -12.8 -81.8-115.5 0.3 13.7 -7.3 38 37 A F S > S- 0 0 123 1,-0.2 3,-1.0 2,-0.1 2,-0.4 0.174 97.7 -53.1 -77.0-162.5 -1.9 10.7 -6.6 39 38 A E T 3 S- 0 0 149 1,-0.3 -1,-0.2 -3,-0.0 3,-0.1 -0.671 124.3 -7.5 -82.5 127.7 -0.9 7.2 -5.4 40 39 A D T 3 S+ 0 0 41 -2,-0.4 23,-0.6 1,-0.2 2,-0.5 0.793 87.7 163.2 53.4 32.4 1.7 5.7 -7.8 41 40 A S < + 0 0 2 -3,-1.0 -6,-2.4 21,-0.1 -5,-0.4 -0.690 39.1 56.3 -72.3 127.8 1.3 8.7 -10.2 42 41 A G E S-F 34 0B 29 -2,-0.5 20,-1.3 -8,-0.3 21,-0.3 -0.968 73.3 -79.2 153.9-164.5 4.4 8.5 -12.4 43 42 A A E -FG 33 61B 39 -10,-1.8 -10,-3.0 -2,-0.3 2,-0.3 -0.926 32.2-107.9-138.2 167.5 6.6 6.6 -14.8 44 43 A V E -F 32 0B 7 16,-1.8 15,-2.4 -2,-0.3 -12,-0.2 -0.724 19.1-175.4 -99.1 138.7 9.4 4.0 -14.8 45 44 A A E - 0 0 26 -14,-3.0 2,-0.3 1,-0.4 13,-0.2 0.748 66.9 -21.6-107.2 -26.3 12.9 5.0 -15.6 46 45 A T E -F 31 0B 16 -15,-1.4 -15,-2.4 11,-0.1 -1,-0.4 -0.971 49.3-157.0-176.0 160.9 14.5 1.5 -15.6 47 46 A A E -F 30 0B 1 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.976 29.3-109.7-142.8 151.0 14.1 -2.1 -14.5 48 47 A N >> - 0 0 5 -19,-2.0 4,-1.7 -2,-0.3 3,-0.8 -0.366 43.8 -94.9 -77.8 168.9 16.7 -4.8 -14.0 49 48 A Y H 3> S+ 0 0 67 1,-0.2 4,-1.5 2,-0.2 3,-0.1 0.884 127.7 56.7 -47.4 -42.7 16.8 -7.8 -16.3 50 49 A E H 34 S+ 0 0 76 1,-0.2 -1,-0.2 -23,-0.2 4,-0.2 0.853 109.8 44.3 -58.6 -38.4 14.6 -9.7 -13.8 51 50 A A H X4>S+ 0 0 0 -3,-0.8 3,-1.0 -22,-0.2 5,-0.8 0.842 110.3 56.8 -73.7 -28.4 11.9 -7.0 -14.0 52 51 A R H ><5S+ 0 0 92 -4,-1.7 3,-1.5 1,-0.3 -2,-0.2 0.664 87.3 72.0 -85.8 -23.4 12.1 -6.7 -17.9 53 52 A K T 3<5S+ 0 0 144 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.1 0.666 100.9 51.4 -55.9 -20.5 11.4 -10.3 -18.7 54 53 A F T < 5S- 0 0 114 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.238 122.9-100.9-109.9 14.1 7.8 -9.4 -17.6 55 54 A G T < 5S+ 0 0 38 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.041 74.8 140.2 97.2 -28.9 7.3 -6.4 -19.7 56 55 A V < + 0 0 0 -5,-0.8 -1,-0.3 9,-0.1 2,-0.3 -0.341 36.2 164.1 -52.8 112.5 8.0 -3.8 -17.0 57 56 A K > - 0 0 125 -2,-0.2 3,-1.1 -3,-0.1 -13,-0.3 -0.869 44.1 -75.0-138.6 162.1 10.0 -1.3 -19.0 58 57 A A T 3 S+ 0 0 66 -2,-0.3 -13,-0.2 1,-0.2 -26,-0.1 -0.404 113.0 19.5 -50.8 122.9 11.4 2.2 -19.2 59 58 A G T 3 S+ 0 0 57 -15,-2.4 -1,-0.2 1,-0.4 -14,-0.1 -0.093 88.3 116.6 110.1 -31.3 8.6 4.7 -20.0 60 59 A I S < S- 0 0 37 -3,-1.1 -16,-1.8 1,-0.1 -1,-0.4 -0.328 75.9 -90.4 -67.0 153.7 5.4 2.8 -19.0 61 60 A P B > -G 43 0B 63 0, 0.0 4,-1.9 0, 0.0 -18,-0.3 -0.285 28.2-126.2 -59.7 148.3 3.2 4.2 -16.2 62 61 A I H > S+ 0 0 0 -20,-1.3 4,-2.6 1,-0.2 5,-0.2 0.892 111.9 59.8 -68.7 -43.0 4.0 3.0 -12.6 63 62 A V H > S+ 0 0 72 -23,-0.6 4,-0.9 -21,-0.3 -1,-0.2 0.900 107.2 46.0 -41.7 -52.0 0.4 1.9 -12.2 64 63 A E H >> S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.889 108.4 56.7 -60.3 -42.7 0.9 -0.4 -15.3 65 64 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.3 3,-0.3 0.944 108.1 47.5 -51.8 -54.4 4.2 -1.7 -13.8 66 65 A K H 3< S+ 0 0 43 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.621 102.8 63.3 -62.7 -22.0 2.3 -2.7 -10.7 67 66 A K H << S+ 0 0 150 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.943 115.1 32.9 -64.5 -49.1 -0.4 -4.4 -12.8 68 67 A I H < S+ 0 0 74 -4,-1.9 -2,-0.2 -3,-0.3 -3,-0.1 0.996 137.0 19.7 -69.0 -71.7 2.2 -6.8 -14.0 69 68 A L >< + 0 0 26 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 -0.751 63.5 178.2-104.4 88.3 4.5 -7.1 -11.0 70 69 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.718 83.5 34.5 -57.4 -19.0 2.5 -6.0 -8.0 71 70 A N T 3 S+ 0 0 59 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.077 74.1 123.6-139.3 25.7 5.6 -6.8 -5.8 72 71 A A S < S- 0 0 4 -3,-1.0 2,-0.6 -7,-0.1 -43,-0.2 -0.196 82.3 -86.7 -50.9 169.4 8.8 -6.1 -7.5 73 72 A V E -e 29 0B 7 -45,-3.1 -43,-2.3 -49,-0.1 2,-0.5 -0.835 46.7-152.6 -86.9 123.5 10.7 -3.7 -5.4 74 73 A Y E +e 30 0B 20 -2,-0.6 -43,-0.2 532,-0.2 539,-0.1 -0.881 17.7 179.7-104.0 126.7 9.6 -0.1 -6.2 75 74 A L E -e 31 0B 0 -45,-2.1 -43,-3.2 -2,-0.5 2,-0.2 -0.965 29.2-117.3-129.8 141.2 12.2 2.6 -5.7 76 75 A P E -e 32 0B 30 0, 0.0 -43,-0.2 0, 0.0 2,-0.0 -0.496 43.0-104.1 -72.9 137.5 12.3 6.4 -6.2 77 76 A M - 0 0 53 -45,-2.4 2,-0.4 -2,-0.2 -43,-0.1 -0.372 28.6-164.5 -56.7 135.3 14.9 7.6 -8.7 78 77 A R >> - 0 0 56 1,-0.1 3,-2.1 -65,-0.1 4,-1.5 -0.716 11.6-179.3-121.4 73.1 17.9 9.1 -6.8 79 78 A K H 3> S+ 0 0 104 -2,-0.4 4,-2.0 1,-0.3 -1,-0.1 0.787 74.0 53.4 -50.5 -33.7 19.4 10.9 -9.8 80 79 A E H 3> S+ 0 0 110 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.670 103.4 57.1 -86.7 -14.2 22.4 12.3 -8.1 81 80 A V H X> S+ 0 0 52 -3,-2.1 4,-2.0 2,-0.2 3,-0.7 0.960 110.3 42.5 -74.6 -55.5 23.5 9.0 -6.7 82 81 A Y H 3X S+ 0 0 0 -4,-1.5 4,-3.5 1,-0.2 -2,-0.2 0.878 111.7 59.1 -55.7 -32.3 23.6 7.5 -10.3 83 82 A Q H 3X S+ 0 0 76 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.909 106.1 46.5 -62.3 -38.9 25.3 10.8 -11.3 84 83 A Q H X S+ 0 0 40 -4,-1.5 3,-1.6 1,-0.2 4,-0.7 0.950 111.6 50.7 -56.2 -43.9 38.0 5.4 -15.3 93 92 A L H >X S+ 0 0 0 -4,-3.4 3,-1.4 1,-0.3 4,-0.9 0.918 102.2 61.3 -54.7 -49.3 37.0 5.3 -19.0 94 93 A R H 3< S+ 0 0 97 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.567 93.9 64.8 -53.5 -15.1 38.9 8.5 -19.6 95 94 A E H << S+ 0 0 154 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.848 98.5 51.7 -83.5 -28.8 42.2 6.8 -18.6 96 95 A Y H << S+ 0 0 37 -3,-1.4 2,-0.3 -4,-0.7 -2,-0.2 0.780 125.7 5.4 -80.3 -32.0 42.2 4.4 -21.5 97 96 A S < - 0 0 2 -4,-0.9 -1,-0.3 1,-0.1 14,-0.1 -0.862 51.6-148.3-155.7 129.2 41.7 7.0 -24.3 98 97 A E S S+ 0 0 129 -2,-0.3 2,-1.2 -3,-0.2 -4,-0.1 0.598 88.9 81.1 -54.6 -22.1 41.6 10.8 -24.4 99 98 A K + 0 0 107 12,-0.4 12,-2.6 2,-0.0 2,-0.4 -0.765 64.7 148.8-100.6 90.9 39.2 10.6 -27.3 100 99 A I E -C 110 0A 11 -2,-1.2 2,-0.6 10,-0.2 10,-0.2 -0.981 33.8-163.0-130.9 131.3 35.9 10.0 -25.4 101 100 A E E -C 109 0A 8 8,-2.4 8,-1.8 -2,-0.4 2,-0.5 -0.948 12.5-155.0-117.2 105.6 32.3 11.0 -26.3 102 101 A I E +C 108 0A 58 -2,-0.6 139,-0.3 6,-0.2 6,-0.2 -0.744 15.6 178.9 -79.7 122.5 30.0 10.8 -23.3 103 102 A A E - 0 0 20 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.619 57.4 -19.9-109.2 -19.3 26.5 10.2 -24.7 104 103 A S E > S-C 107 0A 42 3,-1.1 3,-1.0 0, 0.0 -1,-0.3 -0.957 88.4 -67.2-165.9-171.2 24.2 9.9 -21.7 105 104 A I T 3 S+ 0 0 32 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.606 130.6 27.8 -64.0 -9.0 24.5 9.2 -18.1 106 105 A D T 3 S+ 0 0 32 1,-0.1 -97,-2.0 -97,-0.0 2,-0.3 0.128 106.7 61.6-142.0 27.2 25.5 5.5 -19.0 107 106 A E E < +AC 8 104A 32 -3,-1.0 -4,-2.1 -99,-0.2 -3,-1.1 -0.977 46.8 176.5-155.5 147.0 27.3 5.1 -22.4 108 107 A A E -AC 7 102A 0 -101,-1.6 -101,-2.5 -2,-0.3 2,-0.4 -0.962 20.5-139.0-156.0 145.4 30.5 6.4 -23.8 109 108 A Y E -AC 6 101A 14 -8,-1.8 -8,-2.4 -2,-0.3 2,-0.4 -0.970 16.3-162.3-116.7 127.7 32.4 5.9 -27.0 110 109 A L E -AC 5 100A 0 -105,-4.8 -105,-3.4 -2,-0.4 2,-0.6 -0.890 11.5-145.8-109.9 134.3 36.1 5.5 -26.9 111 110 A D E +A 4 0A 26 -12,-2.6 -12,-0.4 -2,-0.4 -107,-0.2 -0.880 25.0 169.3-100.8 125.3 38.3 5.9 -30.0 112 111 A I >> + 0 0 0 -109,-2.7 3,-1.6 -2,-0.6 4,-1.1 0.239 32.9 119.8-125.0 16.7 41.1 3.5 -29.6 113 112 A S T 34 S+ 0 0 44 -110,-0.4 3,-0.2 1,-0.3 -1,-0.1 0.801 82.8 42.0 -54.0 -36.7 42.8 3.5 -33.0 114 113 A D T 34 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.525 113.2 54.9 -89.0 -9.7 46.2 4.7 -31.6 115 114 A K T <4 S+ 0 0 100 -3,-1.6 2,-0.3 1,-0.1 -2,-0.2 0.548 111.0 33.2-105.1 -12.1 46.1 2.4 -28.6 116 115 A V < - 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0 0 1 -6,-0.7 2,-0.4 -9,-0.1 -1,-0.2 -0.916 51.2-136.5-110.2 132.8 28.9 -2.4 -11.7 140 139 A T - 0 0 26 -2,-0.4 -130,-1.9 -130,-0.2 2,-0.2 -0.709 25.2-176.9 -91.7 131.8 28.7 -4.6 -14.8 141 140 A V E -B 9 0A 1 -2,-0.4 22,-1.2 -132,-0.2 2,-0.4 -0.697 21.1-127.4-116.9 172.9 29.0 -3.0 -18.2 142 141 A T E -Bd 8 163A 1 -134,-1.9 -134,-2.0 -2,-0.2 2,-0.4 -0.997 18.6-150.1-124.5 134.3 28.8 -4.1 -21.8 143 142 A V E -Bd 7 164A 0 20,-2.1 22,-2.2 -2,-0.4 2,-0.4 -0.872 10.0-171.7-111.9 133.0 31.5 -3.5 -24.3 144 143 A G E -Bd 6 165A 0 -138,-2.6 -138,-3.9 -2,-0.4 2,-0.4 -0.940 2.6-170.4-125.1 137.3 31.0 -3.1 -28.0 145 144 A I E +Bd 5 166A 0 20,-1.8 22,-2.4 -2,-0.4 2,-0.3 -0.994 22.4 129.7-138.0 123.3 33.8 -2.9 -30.5 146 145 A S E -Bd 4 167A 0 -142,-2.0 -142,-3.2 -2,-0.4 22,-0.1 -0.917 64.9 -84.8-157.5-175.7 33.5 -1.9 -34.2 147 146 A K S S+ 0 0 40 20,-0.5 2,-0.3 -2,-0.3 -142,-0.1 0.594 105.7 13.0 -77.9 -13.1 34.7 0.2 -37.2 148 147 A N S > S- 0 0 1 -144,-0.2 4,-1.3 1,-0.1 3,-0.3 -0.964 86.6 -92.0-154.0 166.9 32.5 3.3 -36.3 149 148 A K H > S+ 0 0 15 87,-0.6 4,-2.0 -2,-0.3 5,-0.2 0.863 118.3 51.1 -48.7 -46.0 30.2 4.7 -33.5 150 149 A V H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.897 111.7 43.9 -70.6 -37.5 27.0 3.2 -34.7 151 150 A F H > S+ 0 0 1 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.642 107.8 60.4 -83.5 -12.6 28.2 -0.4 -35.0 152 151 A A H X S+ 0 0 0 -4,-1.3 4,-1.6 2,-0.2 -2,-0.2 0.947 109.1 44.4 -67.6 -48.1 30.0 -0.1 -31.7 153 152 A K H X S+ 0 0 30 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.870 112.5 50.8 -60.3 -42.7 26.6 0.6 -30.1 154 153 A I H X S+ 0 0 3 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.930 106.2 55.2 -69.5 -43.1 24.9 -2.1 -32.1 155 154 A A H X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.838 107.8 49.7 -56.0 -39.7 27.6 -4.6 -31.0 156 155 A A H X S+ 0 0 2 -4,-1.6 4,-0.7 1,-0.2 -1,-0.2 0.818 105.2 57.7 -69.4 -33.5 26.8 -3.8 -27.3 157 156 A D H < S+ 0 0 56 -4,-1.7 3,-0.5 1,-0.2 -2,-0.2 0.870 104.5 52.2 -63.2 -33.8 23.1 -4.3 -27.9 158 157 A M H < S+ 0 0 79 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.776 116.3 38.2 -77.0 -22.6 23.7 -7.8 -29.0 159 158 A A H < S+ 0 0 27 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.352 88.9 164.7-109.5 6.3 25.8 -8.8 -25.9 160 159 A K < + 0 0 76 -4,-0.7 2,-0.1 -3,-0.5 -18,-0.1 -0.558 44.4 42.4 -69.3 130.6 23.8 -6.9 -23.1 161 160 A P S S- 0 0 51 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.478 123.9 -21.9-103.6 179.0 24.2 -7.4 -20.3 162 161 A N S S+ 0 0 101 1,-0.2 2,-0.3 -22,-0.1 -20,-0.2 0.845 106.2 83.0 33.0 97.9 27.6 -8.0 -18.8 163 162 A G E -d 142 0A 16 -22,-1.2 -20,-2.1 2,-0.0 2,-0.3 -0.984 65.0-112.9 163.9-168.7 29.6 -9.0 -21.8 164 163 A I E -d 143 0A 25 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.963 19.6-174.6-164.8 135.9 31.5 -8.0 -24.9 165 164 A K E -d 144 0A 68 -22,-2.2 -20,-1.8 -2,-0.3 2,-0.3 -0.935 9.6-156.1-151.8 125.3 31.0 -8.2 -28.7 166 165 A V E -d 145 0A 31 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.684 2.7-162.1 -91.2 142.9 33.1 -7.3 -31.7 167 166 A I E -d 146 0A 0 -22,-2.4 -20,-0.5 -2,-0.3 -12,-0.1 -0.853 15.3-157.9-125.6 98.3 31.6 -6.6 -35.1 168 167 A D >> - 0 0 79 -2,-0.4 4,-1.8 -22,-0.1 3,-0.5 -0.276 38.4 -91.9 -72.5 161.6 34.3 -6.9 -37.8 169 168 A D H 3> S+ 0 0 79 1,-0.2 4,-0.8 2,-0.2 -1,-0.1 0.767 126.8 54.7 -42.6 -37.7 34.0 -5.2 -41.3 170 169 A E H >> S+ 0 0 132 2,-0.2 3,-1.7 1,-0.2 4,-1.0 0.966 105.1 48.8 -61.0 -56.5 32.4 -8.4 -42.6 171 170 A E H <> S+ 0 0 40 -3,-0.5 4,-2.6 1,-0.3 5,-0.2 0.801 99.8 67.1 -62.1 -30.3 29.6 -8.7 -40.0 172 171 A V H 3X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.3 0.897 100.0 53.0 -44.2 -44.4 28.8 -5.1 -40.7 173 172 A K H -H 202 0C 82 -2,-0.3 3,-1.2 22,-0.1 22,-0.2 -0.420 24.8-134.2 -70.2 134.2 16.1 -5.4 -38.0 181 180 A I G > S+ 0 0 8 20,-2.3 3,-1.4 1,-0.3 -1,-0.1 0.889 99.7 61.9 -60.8 -45.9 15.8 -1.7 -38.8 182 181 A A G 3 S+ 0 0 30 1,-0.3 -1,-0.3 19,-0.2 5,-0.2 0.747 91.9 71.4 -54.0 -23.9 14.4 -0.5 -35.3 183 182 A D G < S+ 0 0 96 -3,-1.2 -1,-0.3 3,-0.1 -2,-0.1 0.123 73.6 108.8 -80.8 27.6 17.6 -1.8 -33.8 184 183 A V S X S- 0 0 2 -3,-1.4 3,-1.1 3,-0.2 -33,-0.1 -0.907 82.6-104.3-103.4 123.5 19.5 1.1 -35.4 185 184 A P T 3 S+ 0 0 17 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.154 110.8 28.7 -46.1 134.1 20.8 3.7 -32.8 186 185 A G T 3 S+ 0 0 66 1,-0.1 2,-0.4 -4,-0.1 -3,-0.1 0.579 105.3 96.9 80.7 16.1 18.6 6.8 -33.0 187 186 A I < + 0 0 15 -3,-1.1 -3,-0.2 -5,-0.2 -1,-0.1 -0.968 40.4 143.9-139.9 113.3 15.6 4.7 -34.2 188 187 A G > - 0 0 48 -2,-0.4 4,-0.7 -3,-0.1 -4,-0.1 0.010 65.7 -44.9-118.2-131.8 13.0 3.5 -31.7 189 188 A N H >> S+ 0 0 140 2,-0.2 4,-2.3 1,-0.1 3,-0.6 0.978 123.0 53.7 -72.5 -61.8 9.2 3.0 -32.1 190 189 A I H 34 S+ 0 0 148 1,-0.3 4,-0.3 2,-0.2 -1,-0.1 0.726 115.1 40.1 -55.0 -31.6 7.9 6.1 -33.9 191 190 A T H 34 S+ 0 0 22 2,-0.2 4,-0.4 3,-0.1 -1,-0.3 0.715 108.8 58.9 -94.7 -25.0 10.3 5.9 -36.9 192 191 A A H XX S+ 0 0 19 -4,-0.7 4,-2.5 -3,-0.6 3,-2.5 0.990 110.9 44.7 -56.5 -58.6 10.1 2.1 -37.2 193 192 A E H 3X S+ 0 0 91 -4,-2.3 4,-0.7 1,-0.3 -2,-0.2 0.706 104.1 63.3 -56.0 -26.5 6.3 2.6 -37.7 194 193 A K H 34 S+ 0 0 74 -4,-0.3 -1,-0.3 -5,-0.3 -2,-0.2 0.668 121.1 23.5 -72.2 -14.9 7.2 5.5 -40.1 195 194 A L H <>>S+ 0 0 1 -3,-2.5 5,-1.2 -4,-0.4 4,-0.9 0.497 103.5 82.7-124.4 -18.3 8.8 2.8 -42.2 196 195 A K H <5S+ 0 0 152 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.757 102.3 40.4 -58.7 -31.0 6.9 -0.3 -41.0 197 196 A K T <5S+ 0 0 152 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.1 0.783 107.6 66.4 -81.5 -33.2 4.2 0.7 -43.4 198 197 A L T 45S- 0 0 61 2,-0.2 -2,-0.2 -5,-0.1 -1,-0.1 0.572 111.1-109.5 -73.5 -16.6 6.7 1.7 -46.1 199 198 A G T <5S+ 0 0 48 -4,-0.9 2,-0.7 1,-0.3 -3,-0.1 0.266 78.8 126.8 104.2 -8.1 8.1 -1.8 -46.9 200 199 A I < + 0 0 6 -5,-1.2 -1,-0.3 1,-0.2 -2,-0.2 -0.755 15.1 150.1 -87.1 115.0 11.5 -1.0 -45.2 201 200 A N + 0 0 92 -2,-0.7 -20,-2.3 1,-0.2 2,-0.3 0.562 66.2 33.1-117.4 -20.5 12.3 -3.7 -42.6 202 201 A K B >> S-H 180 0C 59 -22,-0.2 4,-0.6 -21,-0.1 3,-0.5 -0.915 90.4-102.5-130.1 160.3 16.1 -3.7 -42.8 203 202 A L G >4 S+ 0 0 2 -24,-0.6 3,-1.0 -28,-0.4 4,-0.2 0.810 116.9 61.3 -46.8 -37.7 18.7 -0.9 -43.5 204 203 A V G >> S+ 0 0 52 -28,-1.1 3,-4.7 1,-0.3 4,-0.9 0.930 87.5 68.5 -61.8 -48.7 19.2 -2.1 -47.1 205 204 A D G X4 S+ 0 0 33 -3,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.774 88.0 70.4 -40.7 -31.9 15.6 -1.6 -48.2 206 205 A T G X< S+ 0 0 2 -3,-1.0 3,-0.5 -4,-0.6 -1,-0.3 0.749 98.3 47.4 -62.3 -22.6 16.4 2.1 -47.8 207 206 A L G <4 S+ 0 0 81 -3,-4.7 -1,-0.3 -4,-0.2 -2,-0.2 0.687 104.2 62.2 -86.7 -21.2 18.6 1.7 -50.9 208 207 A S G << S+ 0 0 98 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.2 0.082 101.9 64.5 -88.5 21.1 15.7 -0.1 -52.6 209 208 A I S < S- 0 0 46 -3,-0.5 5,-0.1 -9,-0.0 0, 0.0 -0.991 93.1 -89.5-146.0 148.9 13.5 3.1 -52.3 210 209 A E - 0 0 132 -2,-0.3 4,-0.2 1,-0.1 5,-0.1 -0.142 31.8-126.9 -57.7 152.5 13.6 6.6 -53.8 211 210 A F S >> S+ 0 0 88 1,-0.2 4,-3.4 2,-0.2 3,-0.8 0.890 104.4 43.8 -72.6 -45.6 15.4 9.4 -51.9 212 211 A D H 3> S+ 0 0 99 2,-0.2 4,-3.0 1,-0.2 5,-0.4 0.840 104.6 63.0 -72.4 -35.4 12.7 12.0 -51.6 213 212 A K H 34 S+ 0 0 137 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.582 116.4 34.9 -63.0 -12.9 10.0 9.5 -50.6 214 213 A L H <4>S+ 0 0 0 -3,-0.8 5,-0.9 -4,-0.2 3,-0.4 0.760 115.6 53.0-101.8 -56.2 12.3 9.0 -47.6 215 214 A K H X5S+ 0 0 79 -4,-3.4 4,-0.8 1,-0.2 -3,-0.2 0.916 110.0 50.0 -38.3 -60.5 13.5 12.7 -47.2 216 215 A G T <5S+ 0 0 65 -4,-3.0 -1,-0.2 3,-0.2 -3,-0.2 0.847 116.2 43.6 -51.1 -42.7 9.9 13.9 -47.1 217 216 A M T 45S+ 0 0 90 -3,-0.4 -3,-0.1 -5,-0.4 -2,-0.1 0.858 127.6 12.5 -72.6-107.2 8.9 11.4 -44.5 218 217 A I T 45S- 0 0 22 -4,-0.2 4,-0.3 -24,-0.1 -3,-0.2 0.588 119.7 -99.4 -52.4 -11.1 11.2 10.8 -41.5 219 218 A G X< - 0 0 25 -5,-0.9 4,-2.5 -4,-0.8 5,-0.2 0.157 27.1 -85.0 102.5 146.3 13.1 13.9 -42.6 220 219 A E H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.833 122.5 52.1 -52.7 -46.0 16.2 14.8 -44.6 221 220 A A H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.963 114.9 41.6 -56.9 -51.8 18.6 14.5 -41.7 222 221 A K H > S+ 0 0 95 -4,-0.3 4,-2.0 1,-0.2 5,-0.2 0.841 113.5 52.7 -69.6 -33.7 17.4 11.0 -40.7 223 222 A A H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.910 109.6 48.6 -65.0 -43.7 17.2 9.8 -44.3 224 223 A K H X S+ 0 0 131 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.923 111.6 50.3 -61.5 -46.2 20.8 10.8 -45.1 225 224 A Y H X S+ 0 0 58 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.907 111.4 45.0 -67.4 -45.8 22.1 9.1 -42.0 226 225 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 3,-0.5 0.926 110.7 54.9 -63.7 -44.5 20.5 5.8 -42.6 227 226 A I H X S+ 0 0 30 -4,-2.1 4,-2.5 1,-0.3 -1,-0.2 0.885 105.2 55.0 -55.3 -37.1 21.4 5.8 -46.2 228 227 A S H <>S+ 0 0 33 -4,-2.0 5,-3.4 2,-0.2 6,-0.7 0.846 108.7 47.0 -67.8 -32.2 25.0 6.3 -45.0 229 228 A L H ><5S+ 0 0 0 -4,-1.3 3,-1.5 -3,-0.5 -2,-0.2 0.910 110.1 53.0 -72.8 -43.7 24.7 3.2 -42.9 230 229 A A H 3<5S+ 0 0 6 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.948 110.3 46.7 -50.6 -51.5 23.2 1.2 -45.7 231 230 A R T 3<5S- 0 0 162 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.423 113.0-122.6 -72.4 3.7 26.1 2.1 -48.1 232 231 A D T < 5S+ 0 0 37 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.897 78.4 121.3 46.3 50.8 28.5 1.2 -45.2 233 232 A E < + 0 0 128 -5,-3.4 -4,-0.2 -6,-0.1 -5,-0.1 0.359 24.3 130.5-120.8 5.7 29.9 4.7 -45.3 234 233 A Y + 0 0 41 -6,-0.7 -9,-0.0 1,-0.1 -8,-0.0 -0.358 15.7 157.0 -62.9 132.2 29.3 6.1 -41.8 235 234 A N + 0 0 105 -2,-0.1 -1,-0.1 -87,-0.1 -87,-0.0 -0.004 8.1 164.7-149.2 35.2 32.5 7.7 -40.3 236 235 A E - 0 0 102 1,-0.1 -87,-0.6 2,-0.0 -86,-0.1 -0.418 35.7-124.4 -65.6 125.8 31.4 10.1 -37.7 237 236 A P - 0 0 53 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.193 21.1-106.5 -62.8 160.2 34.3 11.1 -35.4 238 237 A I + 0 0 19 -139,-0.0 2,-0.3 3,-0.0 -127,-0.1 -0.800 50.6 172.5 -94.5 100.5 34.2 10.7 -31.6 239 238 A R - 0 0 168 -2,-0.9 2,-0.4 -140,-0.1 -140,-0.0 -0.806 40.3 -95.8-118.0 152.2 33.8 14.2 -30.2 240 239 A T - 0 0 115 -2,-0.3 2,-0.3 -139,-0.1 -139,-0.2 -0.472 40.6-133.5 -63.6 116.0 33.2 15.7 -26.7 241 240 A R - 0 0 133 -2,-0.4 2,-0.4 -139,-0.3 -139,-0.1 -0.598 18.4-154.3 -72.1 132.7 29.6 16.3 -26.4 242 241 A V - 0 0 93 -2,-0.3 2,-0.4 0, 0.0 -1,-0.0 -0.963 20.3-118.0-114.0 131.8 28.9 19.8 -24.9 243 242 A R - 0 0 149 -2,-0.4 3,-0.1 1,-0.1 -2,-0.0 -0.561 29.2-174.6 -74.0 118.7 25.7 20.4 -23.0 244 243 A K + 0 0 138 -2,-0.4 96,-0.8 1,-0.3 2,-0.3 0.731 66.4 17.7 -92.7 -32.9 23.6 23.0 -24.9 245 244 A S E -I 339 0D 38 94,-0.2 2,-0.4 95,-0.1 -1,-0.3 -0.981 58.6-166.3-144.1 137.9 20.7 23.6 -22.6 246 245 A I E +I 338 0D 12 92,-1.7 92,-2.6 -2,-0.3 2,-0.3 -0.968 26.6 153.3-118.0 133.0 20.2 22.8 -18.9 247 246 A G E -I 337 0D 2 -2,-0.4 2,-0.3 90,-0.3 90,-0.2 -0.891 31.9-138.9-149.0 174.2 16.6 22.9 -17.5 248 247 A R E -I 336 0D 102 88,-2.0 88,-1.8 -2,-0.3 2,-0.4 -0.989 11.5-170.8-140.9 150.3 14.2 21.7 -14.9 249 248 A I E -I 335 0D 52 -2,-0.3 2,-0.4 86,-0.2 86,-0.2 -0.992 7.1-172.7-144.2 127.6 10.5 20.7 -15.1 250 249 A V E -I 334 0D 27 84,-2.4 84,-2.3 -2,-0.4 2,-0.3 -0.979 22.4-126.1-128.3 140.8 8.2 20.0 -12.2 251 250 A T E -I 333 0D 36 -2,-0.4 82,-0.2 -216,-0.2 2,-0.1 -0.615 29.1-139.9 -79.2 141.3 4.6 18.7 -11.9 252 251 A M E - 0 0 4 80,-2.4 3,-0.3 -2,-0.3 -1,-0.1 -0.301 16.6-110.4 -92.8 177.6 2.2 20.8 -9.8 253 252 A K E S+ 0 0 65 1,-0.3 2,-0.9 -2,-0.1 -1,-0.1 0.964 100.3 11.5 -74.2 -85.0 -0.5 19.7 -7.4 254 253 A R E S- 0 0 150 -217,-0.1 -1,-0.3 0, 0.0 78,-0.0 -0.815 90.0-124.9-100.5 97.4 -3.8 20.5 -8.9 255 254 A N E + 0 0 44 -2,-0.9 2,-0.2 -3,-0.3 77,-0.2 -0.118 48.3 151.1 -47.3 132.0 -3.3 21.4 -12.6 256 255 A S E -I 331 0D 5 75,-1.4 75,-1.6 73,-0.1 -1,-0.1 -0.848 53.2-122.2-151.6 172.5 -4.7 24.9 -13.3 257 256 A R + 0 0 101 -2,-0.2 2,-0.7 73,-0.2 -2,-0.1 0.032 67.7 115.7-122.8 31.5 -4.6 28.1 -15.4 258 257 A N >> - 0 0 79 1,-0.1 4,-2.1 73,-0.1 3,-1.3 -0.860 54.0-151.3 -98.8 107.6 -4.2 30.8 -12.7 259 258 A L H 3> S+ 0 0 27 -2,-0.7 4,-2.0 1,-0.2 -1,-0.1 0.717 90.6 58.7 -42.0 -34.2 -0.8 32.6 -12.8 260 259 A E H 34 S+ 0 0 125 1,-0.2 -1,-0.2 2,-0.2 -2,-0.0 0.825 112.3 38.1 -76.5 -30.9 -0.6 33.4 -9.1 261 260 A E H <4 S+ 0 0 53 -3,-1.3 4,-0.4 2,-0.1 -2,-0.2 0.788 117.1 50.6 -86.4 -34.1 -0.7 29.8 -8.0 262 261 A I H >X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 3,-1.3 0.890 92.8 81.7 -64.2 -42.1 1.5 28.5 -11.0 263 262 A K H 3X S+ 0 0 74 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.763 84.7 53.2 -32.2 -51.8 4.1 31.2 -10.2 264 263 A P H 3> S+ 0 0 65 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.783 107.4 50.2 -72.2 -25.9 6.0 29.3 -7.3 265 264 A Y H X> S+ 0 0 64 -3,-1.3 4,-2.0 -4,-0.4 3,-0.9 0.950 107.1 56.2 -62.1 -51.7 6.6 26.1 -9.2 266 265 A L H 3X S+ 0 0 0 -4,-1.5 4,-1.2 1,-0.3 -1,-0.2 0.874 106.8 50.2 -50.2 -42.5 8.0 28.2 -12.0 267 266 A F H 3X S+ 0 0 32 -4,-1.7 4,-1.8 1,-0.2 -1,-0.3 0.771 105.4 55.2 -73.5 -28.4 10.5 29.7 -9.6 268 267 A R H -J 331 0D 3 -2,-0.6 3,-0.9 40,-0.3 40,-0.3 -0.165 26.2 -94.9 -82.7 172.8 -1.0 21.1 -20.5 292 291 A E T 3 S+ 0 0 98 38,-1.1 39,-0.1 1,-0.3 -1,-0.1 0.794 130.3 39.6 -53.5 -34.3 -4.0 19.3 -19.0 293 292 A D T 3 S- 0 0 87 37,-0.2 -1,-0.3 2,-0.0 38,-0.1 0.524 120.9-109.8 -94.4 -9.2 -4.0 17.0 -22.0 294 293 A L < + 0 0 92 -3,-0.9 -2,-0.1 1,-0.1 -4,-0.1 0.972 67.0 143.9 78.4 62.0 -0.2 16.8 -22.2 295 294 A D - 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0 0 44 -2,-0.7 4,-1.3 -3,-0.1 -4,-0.1 0.106 49.5 -66.6 -99.0-152.8 -12.5 8.6 24.6 531 188 B N H > S+ 0 0 131 2,-0.2 4,-2.0 3,-0.1 5,-0.2 0.949 123.3 47.1 -71.3 -54.2 -14.9 5.6 24.8 532 189 B I H > S+ 0 0 128 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.935 114.0 46.1 -55.2 -56.2 -12.8 3.2 27.0 533 190 B T H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 112.2 52.4 -57.6 -40.6 -11.9 5.7 29.7 534 191 B A H X S+ 0 0 18 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.831 108.6 50.1 -64.6 -38.0 -15.5 7.0 29.8 535 192 B E H X S+ 0 0 115 -4,-2.0 4,-1.2 -3,-0.3 -1,-0.2 0.773 113.4 48.6 -62.9 -31.8 -16.7 3.3 30.3 536 193 B K H < S+ 0 0 90 -4,-1.6 -2,-0.2 2,-0.2 4,-0.2 0.797 111.9 45.5 -83.8 -32.7 -14.1 3.1 33.1 537 194 B L H ><>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 3,-0.8 0.829 108.1 58.4 -80.0 -32.3 -15.0 6.3 34.8 538 195 B K H ><5S+ 0 0 126 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.904 104.7 51.0 -59.5 -45.7 -18.8 5.5 34.6 539 196 B K T 3<5S+ 0 0 151 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.590 108.8 53.2 -70.7 -10.9 -18.1 2.2 36.5 540 197 B L T < 5S- 0 0 50 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.2 0.217 120.9-103.8-104.8 12.0 -16.3 4.3 39.2 541 198 B G T < 5S+ 0 0 48 -3,-1.3 2,-1.0 1,-0.2 -3,-0.2 0.383 80.3 131.6 85.3 -1.9 -19.1 6.8 39.8 542 199 B I < + 0 0 1 -5,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.716 9.8 146.4 -94.5 97.5 -17.4 9.6 37.8 543 200 B N + 0 0 82 -2,-1.0 -20,-1.9 -20,-0.1 -19,-0.3 0.691 67.7 35.7 -99.3 -27.5 -19.9 11.1 35.4 544 201 B K B S-S 522 0G 67 -22,-0.3 4,-0.4 -21,-0.1 -22,-0.2 -0.801 89.2-106.5-119.9 164.2 -18.7 14.8 35.5 545 202 B L S > S+ 0 0 0 -24,-0.9 3,-1.4 -28,-0.5 4,-0.2 0.873 118.4 60.9 -55.5 -38.4 -15.2 16.3 35.8 546 203 B V G > S+ 0 0 50 -28,-1.9 3,-3.5 1,-0.3 4,-0.4 0.923 88.6 67.7 -55.5 -49.2 -16.1 17.2 39.4 547 204 B D G > S+ 0 0 44 1,-0.3 3,-0.6 -29,-0.2 -1,-0.3 0.650 82.5 77.8 -50.1 -15.9 -16.7 13.7 40.5 548 205 B T G < S+ 0 0 3 -3,-1.4 3,-0.4 -4,-0.4 -1,-0.3 0.718 91.8 53.0 -70.4 -15.8 -12.9 13.1 40.1 549 206 B L G < S+ 0 0 86 -3,-3.5 -1,-0.2 1,-0.2 2,-0.2 0.706 94.2 69.0 -90.0 -17.5 -12.5 14.9 43.4 550 207 B S S < S+ 0 0 101 -3,-0.6 2,-0.3 -4,-0.4 -1,-0.2 -0.139 96.1 65.4 -90.3 38.5 -15.0 12.7 45.3 551 208 B I S S- 0 0 64 -3,-0.4 2,-0.1 -2,-0.2 5,-0.0 -0.975 94.2 -94.2-158.9 146.2 -12.6 9.8 45.1 552 209 B E >> - 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