==== 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 ATP BINDING PROTEIN 01-DEC-08 3FES . COMPND 2 MOLECULE: ATP-DEPENDENT CLP ENDOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR Y.KIM,C.TESAR,H.LI,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR ST . 565 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27723.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 3.0 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 0 0 0 0 4 3 5 8 4 0 0 0 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N 0 0 202 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.5 32.7 40.3 47.5 2 2 A F + 0 0 197 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.014 360.0 152.3-108.1 26.7 33.5 42.4 44.4 3 3 A N + 0 0 91 98,-0.1 2,-0.3 1,-0.0 98,-0.1 -0.268 18.7 172.1 -53.0 139.8 30.2 44.3 44.4 4 4 A R - 0 0 149 96,-0.3 98,-3.4 87,-0.1 2,-0.3 -0.992 29.4-127.2-157.7 142.9 30.6 47.7 42.8 5 5 A F B -a 102 0A 48 -2,-0.3 98,-0.2 96,-0.2 2,-0.0 -0.648 30.7-113.6 -85.5 149.8 28.5 50.6 41.7 6 6 A T > - 0 0 43 96,-2.9 4,-2.5 -2,-0.3 5,-0.2 -0.322 34.1-105.8 -68.9 161.2 28.6 52.1 38.2 7 7 A Q H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.880 123.2 52.7 -53.4 -40.8 30.0 55.7 37.9 8 8 A R H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 109.2 49.3 -65.7 -36.0 26.5 57.0 37.3 9 9 A A H > S+ 0 0 0 2,-0.2 4,-2.3 93,-0.2 -2,-0.2 0.908 109.8 50.8 -71.3 -40.5 25.2 55.2 40.5 10 10 A K H X S+ 0 0 91 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.913 110.5 50.9 -60.3 -42.3 28.1 56.7 42.5 11 11 A K H X S+ 0 0 111 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.909 107.8 52.2 -62.6 -43.0 27.2 60.1 41.1 12 12 A A H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.904 109.9 48.2 -59.3 -45.6 23.6 59.7 42.1 13 13 A I H X S+ 0 0 24 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.921 110.6 51.4 -61.3 -44.7 24.6 58.8 45.7 14 14 A D H X S+ 0 0 100 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.910 110.0 50.4 -56.8 -40.8 26.9 61.8 45.8 15 15 A L H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.830 105.0 57.1 -68.4 -29.5 24.0 64.0 44.7 16 16 A A H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.934 110.1 44.3 -64.8 -45.7 21.8 62.4 47.4 17 17 A F H X S+ 0 0 52 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.879 112.7 51.5 -63.1 -42.6 24.3 63.6 50.0 18 18 A E H X S+ 0 0 90 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.892 110.0 50.2 -64.3 -39.9 24.6 67.1 48.3 19 19 A S H X S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.920 109.3 49.6 -62.5 -47.4 20.8 67.4 48.4 20 20 A A H <>S+ 0 0 0 -4,-2.3 5,-3.0 1,-0.2 4,-0.4 0.943 112.0 48.9 -56.3 -49.0 20.5 66.5 52.1 21 21 A K H ><5S+ 0 0 45 -4,-2.4 3,-1.7 1,-0.2 52,-1.7 0.925 107.9 54.4 -56.5 -47.4 23.2 69.0 52.9 22 22 A S H 3<5S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.827 110.7 46.4 -52.1 -40.0 21.5 71.7 50.8 23 23 A L T 3<5S- 0 0 7 -4,-1.7 47,-2.6 -3,-0.3 -1,-0.3 0.368 118.0-110.0 -87.7 3.4 18.3 71.2 52.8 24 24 A G T < 5S+ 0 0 23 -3,-1.7 2,-0.5 -4,-0.4 -3,-0.2 0.821 71.7 143.4 66.7 33.8 20.0 71.2 56.2 25 25 A H < - 0 0 18 -5,-3.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.914 34.7-170.0-104.4 123.9 19.4 67.4 56.6 26 26 A N S S+ 0 0 55 -2,-0.5 52,-2.0 -3,-0.1 2,-0.5 0.477 71.3 65.9 -95.6 1.0 22.2 65.5 58.4 27 27 A I E S-b 78 0B 25 50,-0.2 2,-0.7 -7,-0.1 52,-0.2 -0.982 76.4-140.8-122.4 125.3 20.8 62.1 57.6 28 28 A V E -b 79 0B 0 50,-3.0 52,-2.5 -2,-0.5 55,-0.3 -0.764 30.9-179.8 -86.4 113.3 20.5 60.8 54.0 29 29 A G >> - 0 0 7 -2,-0.7 4,-1.7 50,-0.2 3,-0.7 -0.423 46.8 -86.9-104.3-178.5 17.2 58.9 53.7 30 30 A S H 3> S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 5,-0.1 0.829 125.1 61.0 -60.8 -31.8 15.5 57.1 50.8 31 31 A E H 3> S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.851 104.3 47.8 -65.2 -35.3 14.0 60.4 49.7 32 32 A H H <> S+ 0 0 0 -3,-0.7 4,-2.8 2,-0.2 -1,-0.2 0.872 109.8 51.6 -73.1 -38.2 17.4 61.9 49.1 33 33 A I H X S+ 0 0 4 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.916 110.0 51.0 -60.6 -44.8 18.6 58.9 47.2 34 34 A L H X S+ 0 0 1 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.931 112.7 44.7 -57.8 -43.4 15.5 59.2 45.0 35 35 A L H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.899 111.4 54.1 -67.9 -38.4 16.3 62.9 44.4 36 36 A G H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.886 106.9 51.3 -59.7 -42.9 19.9 62.0 43.8 37 37 A L H X S+ 0 0 0 -4,-2.6 4,-0.5 2,-0.2 9,-0.3 0.889 112.8 45.9 -60.2 -43.0 18.8 59.5 41.1 38 38 A L H >< S+ 0 0 13 -4,-1.9 3,-1.5 1,-0.2 -2,-0.2 0.943 111.7 50.4 -65.5 -48.7 16.7 62.1 39.4 39 39 A R H 3< S+ 0 0 55 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.769 95.2 71.6 -62.0 -26.9 19.4 64.8 39.5 40 40 A E H 3< S- 0 0 14 -4,-1.5 2,-2.1 -5,-0.2 -1,-0.3 0.800 80.0-173.7 -64.1 -25.8 21.9 62.3 38.0 41 41 A E << + 0 0 126 -3,-1.5 -1,-0.2 -4,-0.5 9,-0.1 -0.206 60.5 64.6 74.9 -48.0 20.0 62.8 34.8 42 42 A E S S+ 0 0 117 -2,-2.1 -1,-0.2 4,-0.1 -4,-0.1 0.759 81.2 85.3 -84.7 -29.5 21.7 60.2 32.5 43 43 A G S > S- 0 0 7 -6,-0.2 4,-2.2 -35,-0.1 5,-0.2 -0.176 88.6-102.6 -80.5 169.2 20.9 56.8 34.1 44 44 A I H > S+ 0 0 50 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.879 119.9 56.3 -51.8 -44.4 17.9 54.5 33.7 45 45 A A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.926 108.4 46.2 -61.5 -43.3 16.5 55.7 37.1 46 46 A A H > S+ 0 0 3 -9,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.895 113.5 49.6 -62.7 -41.1 16.5 59.3 36.1 47 47 A K H X S+ 0 0 115 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.903 112.7 47.7 -68.7 -38.1 14.9 58.4 32.7 48 48 A V H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 5,-0.2 0.954 113.5 46.7 -61.5 -51.4 12.2 56.3 34.5 49 49 A L H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-0.5 0.884 115.5 45.2 -64.9 -39.1 11.4 59.1 37.1 50 50 A S H ><5S+ 0 0 74 -4,-2.4 3,-0.5 3,-0.2 -1,-0.2 0.872 110.4 55.5 -70.5 -36.4 11.2 61.8 34.4 51 51 A K H 3<5S+ 0 0 147 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.899 107.8 47.2 -65.1 -39.5 9.1 59.5 32.2 52 52 A V H 3<5S- 0 0 34 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.592 129.9 -94.9 -80.0 -11.3 6.5 59.0 34.9 53 53 A G T <<5S+ 0 0 57 -4,-0.5 -3,-0.2 -3,-0.5 2,-0.1 0.402 72.9 137.7 122.8 -4.4 6.4 62.7 35.5 54 54 A F < - 0 0 12 -5,-2.3 2,-0.3 4,-0.1 -1,-0.3 -0.453 26.8-168.8 -73.6 148.3 8.7 63.8 38.4 55 55 A T > - 0 0 78 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.855 36.1-112.5-120.9 163.9 11.0 66.9 38.3 56 56 A E H > S+ 0 0 70 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.913 118.4 53.5 -58.6 -43.2 13.7 67.9 40.7 57 57 A A H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 108.5 49.1 -60.4 -42.8 11.6 70.9 41.8 58 58 A Y H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.956 113.0 45.6 -62.1 -51.4 8.6 68.7 42.6 59 59 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.930 114.1 48.6 -58.7 -49.9 10.6 66.1 44.6 60 60 A E H X S+ 0 0 69 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.906 110.6 51.2 -52.4 -48.4 12.5 68.8 46.5 61 61 A G H X S+ 0 0 32 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.908 111.2 47.9 -57.5 -45.1 9.2 70.6 47.3 62 62 A K H X S+ 0 0 28 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.867 110.2 52.0 -65.2 -37.1 7.6 67.4 48.6 63 63 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 5,-0.4 0.953 112.2 45.8 -64.0 -48.8 10.7 66.6 50.7 64 64 A V H X S+ 0 0 42 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 109.4 55.2 -59.5 -44.2 10.5 70.1 52.3 65 65 A D H < S+ 0 0 115 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.849 118.8 34.6 -53.2 -36.8 6.7 69.8 52.8 66 66 A X H < S+ 0 0 86 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.777 134.6 19.0 -94.3 -30.0 7.3 66.6 54.8 67 67 A E H < S- 0 0 49 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.521 93.3-134.8-121.1 -17.2 10.6 67.1 56.6 68 68 A G < - 0 0 28 -4,-2.5 2,-0.3 -5,-0.4 -1,-0.2 -0.111 21.8-101.9 78.4 178.4 11.1 70.9 56.6 69 69 A K - 0 0 145 -4,-0.1 -45,-0.2 -5,-0.0 2,-0.2 -0.994 30.5-174.5-140.7 148.9 14.4 72.5 55.8 70 70 A G - 0 0 38 -47,-2.6 -45,-0.1 -2,-0.3 3,-0.1 -0.587 44.6 -55.3-125.7-172.2 17.2 74.1 57.8 71 71 A E S S- 0 0 89 129,-0.3 -1,-0.2 -2,-0.2 -48,-0.0 -0.294 70.7 -82.5 -69.3 156.5 20.4 76.0 57.0 72 72 A E - 0 0 140 -49,-0.1 2,-0.4 -48,-0.1 -50,-0.2 -0.242 41.7-137.8 -59.3 140.5 23.1 74.4 54.7 73 73 A I - 0 0 22 -52,-1.7 -49,-0.1 1,-0.1 -48,-0.1 -0.855 20.3-178.5 -99.5 137.9 25.4 71.9 56.3 74 74 A S + 0 0 109 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.710 60.5 72.6-105.8 -27.3 29.1 72.0 55.4 75 75 A E S S- 0 0 124 1,-0.2 2,-0.1 -54,-0.1 -2,-0.1 -0.149 96.9 -67.5 -79.2 179.8 30.5 69.0 57.5 76 76 A D - 0 0 152 1,-0.0 2,-0.2 -55,-0.0 -1,-0.2 -0.444 48.1-171.1 -73.2 143.8 30.0 65.3 56.9 77 77 A I - 0 0 14 -2,-0.1 2,-0.3 -3,-0.1 -50,-0.2 -0.681 13.1-124.0-128.2 177.1 26.5 63.6 57.2 78 78 A V E -b 27 0B 37 -52,-2.0 -50,-3.0 -2,-0.2 2,-0.2 -0.878 13.9-104.8-139.1 153.9 25.4 59.9 57.2 79 79 A L E -b 28 0B 29 -2,-0.3 -50,-0.2 -52,-0.2 261,-0.2 -0.565 36.1-126.8 -73.0 139.2 23.2 57.3 55.6 80 80 A S > - 0 0 12 -52,-2.5 4,-2.5 -2,-0.2 5,-0.2 -0.350 30.7-102.8 -72.2 167.6 20.1 56.2 57.6 81 81 A P H > S+ 0 0 1 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.912 124.5 52.8 -59.9 -39.3 19.6 52.4 58.2 82 82 A R H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.910 107.6 50.2 -66.1 -41.2 17.0 52.3 55.4 83 83 A S H > S+ 0 0 0 -55,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.914 111.6 49.0 -57.3 -46.6 19.4 54.0 53.0 84 84 A K H X S+ 0 0 83 -4,-2.5 4,-2.2 254,-0.2 -2,-0.2 0.892 111.4 49.3 -60.5 -40.9 22.0 51.4 53.9 85 85 A Q H X S+ 0 0 72 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.888 109.4 52.6 -64.5 -42.1 19.5 48.6 53.4 86 86 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.928 110.6 47.1 -58.4 -46.3 18.5 50.0 50.0 87 87 A L H X S+ 0 0 23 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.899 112.3 49.2 -66.3 -41.6 22.1 50.1 48.9 88 88 A E H X S+ 0 0 93 -4,-2.2 4,-2.0 2,-0.2 3,-0.3 0.928 111.5 50.8 -58.2 -45.5 22.7 46.5 50.1 89 89 A L H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.865 102.1 59.2 -61.3 -37.5 19.5 45.5 48.3 90 90 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.894 107.5 48.2 -58.7 -38.6 20.7 47.1 45.1 91 91 A G H X S+ 0 0 2 -4,-1.4 4,-2.5 -3,-0.3 -2,-0.2 0.894 109.2 52.9 -64.7 -43.0 23.7 44.7 45.3 92 92 A X H X S+ 0 0 95 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.901 109.6 48.4 -56.8 -41.9 21.4 41.8 45.9 93 93 A F H X S+ 0 0 39 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.930 111.0 49.7 -66.6 -44.2 19.4 42.6 42.8 94 94 A A H <>S+ 0 0 2 -4,-2.1 5,-2.8 1,-0.2 -2,-0.2 0.897 113.0 47.3 -62.7 -38.6 22.5 43.0 40.6 95 95 A N H ><5S+ 0 0 88 -4,-2.5 3,-0.6 3,-0.2 -1,-0.2 0.859 109.6 52.7 -70.0 -35.3 23.8 39.6 41.9 96 96 A K H 3<5S+ 0 0 181 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.896 113.1 44.2 -62.6 -41.2 20.4 38.0 41.3 97 97 A L T 3<5S- 0 0 96 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.432 112.6-127.9 -81.7 -0.6 20.5 39.3 37.7 98 98 A K T < 5 + 0 0 200 -3,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.863 57.2 148.5 51.4 47.2 24.2 38.2 37.6 99 99 A T < - 0 0 53 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.800 47.5-139.4-105.1 148.5 25.4 41.6 36.4 100 100 A N S S+ 0 0 121 -2,-0.3 2,-0.5 1,-0.1 -96,-0.3 0.712 80.9 51.1 -81.0 -22.7 28.8 43.0 37.4 101 101 A Y S S- 0 0 114 -98,-0.1 2,-0.7 -7,-0.1 -96,-0.2 -0.965 74.0-133.6-130.6 127.6 27.9 46.6 38.1 102 102 A I B -a 5 0A 8 -98,-3.4 -96,-2.9 -2,-0.5 -93,-0.2 -0.725 37.0-171.5 -82.5 111.9 25.2 48.0 40.3 103 103 A G >> - 0 0 1 -2,-0.7 4,-1.6 -98,-0.2 3,-0.7 -0.394 41.6 -91.4 -97.3 177.0 23.5 50.8 38.3 104 104 A T H 3> S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 124.6 60.4 -54.9 -33.1 21.0 53.5 39.0 105 105 A E H 3> S+ 0 0 40 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.859 102.4 50.9 -65.5 -37.7 18.3 51.0 37.9 106 106 A H H <> S+ 0 0 3 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.891 109.4 50.2 -68.2 -37.7 19.3 48.6 40.8 107 107 A I H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.930 112.5 46.3 -66.4 -44.3 19.1 51.4 43.4 108 108 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.917 110.5 53.5 -67.1 -39.1 15.6 52.4 42.2 109 109 A L H X S+ 0 0 21 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.907 110.8 48.1 -53.9 -44.1 14.5 48.7 42.1 110 110 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.882 107.0 54.3 -68.3 -40.1 15.7 48.5 45.8 111 111 A I H X S+ 0 0 1 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.962 113.4 44.0 -56.0 -52.2 13.9 51.7 46.8 112 112 A I H < S+ 0 0 16 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.925 113.8 49.4 -61.0 -47.2 10.6 50.3 45.5 113 113 A Q H < S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 102.0 61.5 -58.3 -38.9 11.2 46.8 47.0 114 114 A E H < S- 0 0 42 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.868 86.8-168.0 -61.7 -37.4 12.0 48.3 50.4 115 115 A G < + 0 0 40 -4,-1.4 2,-0.2 -3,-0.3 -1,-0.1 0.206 50.7 69.3 82.2 -17.6 8.5 49.6 50.3 116 116 A E > + 0 0 118 -5,-0.2 4,-0.6 4,-0.1 -1,-0.2 -0.514 61.4 71.4-120.5-173.0 8.6 52.0 53.2 117 117 A G H > S- 0 0 12 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 -0.080 93.2 -64.8 87.6 168.6 10.3 55.3 53.9 118 118 A I H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.831 126.7 60.6 -68.8 -36.7 9.8 58.8 52.6 119 119 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.933 109.1 44.1 -57.4 -45.7 10.7 58.0 48.9 120 120 A N H X S+ 0 0 1 -4,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.884 109.8 56.4 -68.1 -34.3 7.8 55.5 48.7 121 121 A K H X S+ 0 0 127 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.897 109.7 46.5 -60.4 -39.9 5.5 57.9 50.5 122 122 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.917 112.8 48.2 -69.7 -44.8 6.2 60.4 47.8 123 123 A L H X>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 4,-0.5 0.929 115.6 46.0 -59.3 -43.9 5.8 57.8 45.0 124 124 A N H ><5S+ 0 0 91 -4,-3.1 3,-0.9 2,-0.2 -2,-0.2 0.903 110.1 52.6 -64.9 -43.0 2.5 56.7 46.6 125 125 A Y H 3<5S+ 0 0 168 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.909 110.4 48.5 -59.7 -43.5 1.3 60.3 47.1 126 126 A A H 3<5S- 0 0 39 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.579 112.2-125.4 -71.8 -12.5 1.9 61.0 43.4 127 127 A G T <<5S+ 0 0 61 -3,-0.9 -3,-0.2 -4,-0.5 4,-0.1 0.690 82.3 105.0 76.4 20.3 0.0 57.8 42.6 128 128 A V >< + 0 0 21 -5,-2.1 4,-2.4 -6,-0.2 5,-0.2 0.109 31.2 111.8-121.3 22.2 2.9 56.4 40.5 129 129 A N H > S+ 0 0 26 -6,-0.5 4,-2.1 1,-0.2 5,-0.1 0.981 90.0 35.5 -60.1 -53.5 4.5 53.7 42.6 130 130 A D H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.813 116.6 54.9 -73.1 -28.8 3.4 50.8 40.4 131 131 A R H > S+ 0 0 180 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.884 107.1 50.9 -67.4 -38.3 3.8 52.9 37.2 132 132 A T H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.932 110.5 49.5 -63.1 -47.2 7.4 53.6 38.2 133 133 A L H X S+ 0 0 58 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.904 111.5 48.4 -56.3 -46.5 8.0 49.9 38.8 134 134 A A H X S+ 0 0 55 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.932 113.4 46.4 -59.5 -47.8 6.5 49.0 35.3 135 135 A Q H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.874 113.6 49.2 -65.8 -38.1 8.6 51.7 33.5 136 136 A L H X S+ 0 0 0 -4,-2.5 4,-1.0 -5,-0.2 -1,-0.2 0.911 110.4 51.6 -67.1 -41.8 11.7 50.6 35.4 137 137 A T H < S+ 0 0 74 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.907 112.8 43.1 -64.7 -43.4 11.0 47.0 34.5 138 138 A I H >< S+ 0 0 101 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.903 110.3 57.1 -70.0 -35.6 10.6 47.7 30.8 139 139 A D H 3< S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.700 105.0 53.2 -66.2 -19.3 13.6 50.0 30.8 140 140 A X T 3< S+ 0 0 58 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.317 88.3 110.2 -94.6 6.6 15.7 47.1 32.1 141 141 A X < 0 0 148 -3,-1.9 -3,-0.0 -5,-0.1 -4,-0.0 -0.439 360.0 360.0 -81.1 161.2 14.6 44.7 29.3 142 142 A G 0 0 131 -2,-0.1 -3,-0.0 0, 0.0 -2,-0.0 -0.520 360.0 360.0 140.0 360.0 16.9 43.4 26.6 143 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 144 1 B N 0 0 164 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.0 -5.4 95.2 87.1 145 2 B F + 0 0 201 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.109 360.0 158.7-114.0 34.1 -6.2 95.9 83.4 146 3 B N + 0 0 67 98,-0.1 2,-0.3 1,-0.0 98,-0.1 -0.311 16.0 170.7 -55.0 138.2 -2.9 94.6 82.0 147 4 B R - 0 0 148 96,-0.3 98,-3.1 87,-0.1 2,-0.2 -0.982 28.7-127.1-157.6 142.6 -3.4 93.9 78.3 148 5 B F B -c 245 0C 50 -2,-0.3 98,-0.2 96,-0.2 2,-0.0 -0.627 28.9-112.5 -88.8 148.6 -1.3 92.9 75.2 149 6 B T > - 0 0 43 96,-2.7 4,-2.8 -2,-0.2 5,-0.2 -0.299 33.1-107.0 -64.0 159.3 -1.4 94.7 71.9 150 7 B Q H > S+ 0 0 136 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.873 123.4 51.3 -52.9 -42.0 -2.8 92.8 68.9 151 8 B R H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 109.6 49.3 -69.0 -38.9 0.8 92.5 67.5 152 9 B A H > S+ 0 0 0 2,-0.2 4,-2.2 93,-0.2 -2,-0.2 0.889 110.0 51.3 -63.3 -40.9 2.0 91.1 70.9 153 10 B K H X S+ 0 0 92 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.924 109.7 50.5 -62.5 -41.9 -0.8 88.6 71.0 154 11 B K H X S+ 0 0 110 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.902 107.8 52.8 -59.5 -44.5 0.1 87.5 67.4 155 12 B A H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.900 110.4 47.7 -59.4 -42.6 3.7 87.1 68.5 156 13 B I H X S+ 0 0 24 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 110.7 51.3 -64.3 -43.1 2.6 84.8 71.4 157 14 B D H X S+ 0 0 104 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.904 109.4 51.1 -57.0 -39.4 0.3 82.8 69.0 158 15 B L H X S+ 0 0 13 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.838 104.5 57.5 -70.6 -29.7 3.4 82.4 66.7 159 16 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.926 109.7 44.6 -62.2 -46.0 5.4 81.2 69.7 160 17 B F H X S+ 0 0 59 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.904 111.9 52.2 -62.5 -45.0 2.8 78.4 70.2 161 18 B E H X S+ 0 0 120 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.885 108.8 50.8 -58.7 -41.2 2.7 77.7 66.5 162 19 B S H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.930 108.7 50.5 -63.7 -45.3 6.5 77.3 66.3 163 20 B A H <>S+ 0 0 0 -4,-2.2 5,-3.3 1,-0.2 4,-0.3 0.930 112.4 48.9 -56.4 -43.1 6.5 74.9 69.3 164 21 B K H ><5S+ 0 0 107 -4,-2.3 3,-1.7 1,-0.2 52,-0.4 0.939 107.7 51.9 -63.0 -47.8 3.8 72.9 67.5 165 22 B S H 3<5S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 113.2 47.3 -59.9 -26.5 5.7 72.8 64.1 166 23 B L T 3<5S- 0 0 6 -4,-1.7 47,-3.4 -5,-0.2 -1,-0.3 0.369 115.2-114.4 -95.7 7.6 8.8 71.5 66.0 167 24 B G T < 5 + 0 0 15 -3,-1.7 2,-0.4 -4,-0.3 -3,-0.2 0.820 66.5 147.2 62.7 31.3 6.9 68.8 68.0 168 25 B H < - 0 0 18 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.817 38.6-162.0 -98.7 138.9 7.6 70.7 71.3 169 26 B N S S+ 0 0 20 -2,-0.4 52,-2.1 -3,-0.1 2,-0.4 0.469 74.2 60.3 -93.8 -2.9 5.0 70.5 74.1 170 27 B I E S-d 221 0D 19 50,-0.2 2,-0.7 -7,-0.1 52,-0.2 -0.989 72.4-141.6-131.4 129.2 6.4 73.5 76.1 171 28 B V E -d 222 0D 0 50,-2.8 52,-2.3 -2,-0.4 55,-0.2 -0.824 31.7-179.4 -90.0 116.4 6.7 77.1 74.9 172 29 B G >> - 0 0 6 -2,-0.7 4,-1.7 50,-0.2 3,-0.8 -0.465 47.3 -84.3-107.0-179.2 10.0 78.4 76.3 173 30 B S H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.841 126.4 59.7 -53.0 -33.9 11.7 81.8 76.0 174 31 B E H 3> S+ 0 0 13 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 103.8 48.6 -68.8 -33.6 13.2 80.7 72.7 175 32 B H H <> S+ 0 0 0 -3,-0.8 4,-3.1 2,-0.2 -1,-0.2 0.876 110.5 50.9 -74.2 -37.4 9.8 80.2 71.1 176 33 B I H X S+ 0 0 3 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.934 109.7 51.4 -61.8 -43.0 8.6 83.6 72.3 177 34 B L H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.946 113.0 44.9 -57.7 -45.8 11.8 85.0 70.8 178 35 B L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.910 110.9 52.8 -63.9 -45.2 11.0 83.3 67.5 179 36 B G H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.899 107.0 54.0 -57.9 -39.6 7.3 84.3 67.6 180 37 B L H < S+ 0 0 0 -4,-2.6 4,-0.5 2,-0.2 9,-0.3 0.905 112.0 43.6 -60.3 -44.7 8.5 88.0 68.1 181 38 B L H >< S+ 0 0 16 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.943 112.2 52.6 -66.9 -45.2 10.6 87.8 64.9 182 39 B R H 3< S+ 0 0 35 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.750 94.5 70.9 -63.8 -23.6 7.9 85.9 62.9 183 40 B E T 3< S- 0 0 13 -4,-1.6 2,-2.3 -5,-0.2 -1,-0.3 0.785 79.5-174.3 -66.4 -25.4 5.4 88.7 63.8 184 41 B E < + 0 0 134 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.1 -0.181 62.6 64.0 73.7 -47.0 7.4 91.0 61.4 185 42 B E S S+ 0 0 118 -2,-2.3 -1,-0.2 4,-0.1 -4,-0.1 0.776 81.9 88.3 -88.1 -27.7 5.6 94.3 62.1 186 43 B G S > S- 0 0 7 -6,-0.2 4,-2.1 -35,-0.1 5,-0.2 -0.146 87.5-107.2 -74.8 163.6 6.4 95.0 65.7 187 44 B I H > S+ 0 0 51 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.881 118.9 58.5 -52.4 -45.4 9.4 96.8 67.3 188 45 B A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.933 107.9 45.4 -55.1 -47.6 10.8 93.4 68.5 189 46 B A H > S+ 0 0 2 -9,-0.3 4,-2.5 1,-0.2 5,-0.3 0.898 113.0 50.2 -61.9 -42.8 10.9 92.0 65.0 190 47 B K H X S+ 0 0 115 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.889 112.0 48.3 -66.8 -38.1 12.5 95.2 63.6 191 48 B V H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.947 113.1 46.0 -61.1 -50.8 15.1 95.1 66.4 192 49 B L H X>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 4,-0.6 0.888 115.2 47.4 -67.6 -36.4 16.0 91.4 65.8 193 50 B S H ><5S+ 0 0 75 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.2 0.907 109.4 54.4 -67.5 -40.4 16.1 91.9 62.1 194 51 B K H 3<5S+ 0 0 149 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.894 107.7 48.9 -64.4 -38.7 18.3 95.0 62.5 195 52 B V H 3<5S- 0 0 30 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.589 128.7 -96.1 -77.5 -10.4 20.9 93.2 64.6 196 53 B G T <<5S+ 0 0 60 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.585 72.0 142.6 111.4 9.9 21.0 90.4 62.0 197 54 B F < - 0 0 10 -5,-2.6 2,-0.3 4,-0.1 -1,-0.3 -0.648 25.3-169.6 -77.0 139.9 18.6 87.5 63.1 198 55 B T > - 0 0 75 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.852 36.3-114.1-116.4 162.1 16.6 85.6 60.6 199 56 B E H > S+ 0 0 79 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.924 118.6 53.9 -53.6 -48.4 13.8 83.1 61.2 200 57 B A H > S+ 0 0 54 1,-0.2 4,-2.0 2,-0.2 -129,-0.3 0.870 107.6 48.8 -56.0 -42.2 16.1 80.4 59.8 201 58 B Y H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.948 114.5 43.9 -63.6 -47.7 19.0 81.2 62.1 202 59 B L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.924 114.5 48.0 -65.4 -48.9 16.8 81.1 65.3 203 60 B E H X S+ 0 0 45 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.912 110.1 55.2 -59.7 -41.3 14.9 78.0 64.4 204 61 B G H X S+ 0 0 17 -4,-2.0 4,-2.1 -5,-0.3 -2,-0.2 0.893 109.8 44.7 -55.4 -45.6 18.2 76.4 63.6 205 62 B K H X S+ 0 0 38 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.853 110.5 54.2 -71.1 -35.2 19.6 77.1 67.0 206 63 B I H X S+ 0 0 1 -4,-2.2 4,-2.5 2,-0.2 5,-0.4 0.935 110.9 46.2 -63.2 -45.9 16.4 76.0 68.8 207 64 B V H X S+ 0 0 31 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.907 109.9 54.9 -63.0 -40.4 16.6 72.6 67.0 208 65 B D H < S+ 0 0 85 -4,-2.1 146,-1.6 -5,-0.2 -1,-0.2 0.859 117.2 35.6 -57.5 -38.4 20.3 72.3 67.8 209 66 B X H < S+ 0 0 63 -4,-1.6 -2,-0.2 144,-0.3 -1,-0.2 0.748 135.5 17.7 -93.1 -24.2 19.6 72.8 71.4 210 67 B E H < S- 0 0 46 -4,-2.5 -3,-0.2 -5,-0.2 143,-0.2 0.466 94.1-134.9-126.8 -9.0 16.3 71.0 71.9 211 68 B G < - 0 0 0 -4,-2.6 2,-0.4 -5,-0.4 140,-0.3 -0.109 23.4 -88.4 76.7-175.9 15.8 68.8 68.9 212 69 B K - 0 0 82 138,-2.0 2,-0.2 -4,-0.1 -45,-0.2 -0.989 35.8-159.1-135.1 138.6 12.7 68.4 66.8 213 70 B G - 0 0 32 -47,-3.4 2,-0.2 -2,-0.4 -45,-0.1 -0.685 37.2 -76.9-112.4 175.1 9.8 65.9 67.4 214 71 B E - 0 0 100 -2,-0.2 2,-0.4 -47,-0.2 -1,-0.1 -0.466 60.9 -99.2 -65.4 133.2 7.1 64.4 65.3 215 72 B E - 0 0 136 -2,-0.2 2,-0.3 -50,-0.1 -1,-0.1 -0.483 56.6-179.2 -63.9 116.3 4.4 67.1 64.8 216 73 B I - 0 0 80 -2,-0.4 2,-0.6 -52,-0.4 -49,-0.1 -0.777 35.2-130.0-116.4 152.4 1.7 66.1 67.4 217 74 B S + 0 0 116 -2,-0.3 2,-0.3 -50,-0.0 -2,-0.0 -0.974 61.9 121.6 -99.3 115.9 -1.7 67.3 68.4 218 75 B E S S- 0 0 81 -2,-0.6 2,-0.2 -49,-0.0 -2,-0.1 -0.924 71.4 -65.5-165.3 162.6 -1.3 67.6 72.2 219 76 B D - 0 0 113 -2,-0.3 2,-0.5 1,-0.0 -2,-0.0 -0.426 45.8-160.7 -60.2 124.1 -1.6 70.3 74.8 220 77 B I + 0 0 29 -2,-0.2 2,-0.3 -50,-0.1 -50,-0.2 -0.960 16.0 179.7-109.5 135.2 1.1 72.9 74.5 221 78 B V E -d 170 0D 23 -52,-2.1 -50,-2.8 -2,-0.5 2,-0.2 -0.893 30.1 -99.9-135.4 160.2 1.8 75.1 77.6 222 79 B L E -d 171 0D 32 -2,-0.3 -50,-0.2 -52,-0.2 260,-0.1 -0.522 34.8-126.9 -76.2 141.6 4.1 77.9 78.8 223 80 B S > - 0 0 10 -52,-2.3 4,-2.4 -2,-0.2 5,-0.2 -0.343 30.7-104.5 -74.6 164.1 7.2 77.1 80.8 224 81 B P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.911 123.4 52.5 -59.5 -38.5 7.5 78.9 84.2 225 82 B R H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.882 108.2 51.2 -67.7 -35.7 10.2 81.2 82.7 226 83 B S H > S+ 0 0 0 -55,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.931 110.8 48.4 -60.7 -45.4 7.9 82.1 79.8 227 84 B K H X S+ 0 0 66 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.915 111.6 49.8 -60.0 -43.4 5.1 82.9 82.3 228 85 B Q H X S+ 0 0 69 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.890 109.1 53.1 -62.4 -40.6 7.6 85.0 84.2 229 86 B I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.930 109.7 47.4 -58.6 -44.7 8.6 86.8 81.0 230 87 B L H X S+ 0 0 25 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.891 112.8 47.9 -68.7 -37.2 5.1 87.7 80.2 231 88 B E H X S+ 0 0 92 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.927 111.0 51.8 -64.5 -43.7 4.5 89.0 83.7 232 89 B L H X S+ 0 0 43 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.857 102.8 59.5 -61.6 -36.0 7.7 91.0 83.5 233 90 B S H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.888 106.7 47.0 -59.4 -41.0 6.5 92.5 80.2 234 91 B G H X S+ 0 0 2 -4,-1.3 4,-2.6 -3,-0.4 -2,-0.2 0.873 109.7 54.1 -65.7 -41.1 3.4 93.9 82.1 235 92 B X H X S+ 0 0 119 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.913 109.3 47.6 -56.1 -46.1 5.7 95.2 84.8 236 93 B F H X S+ 0 0 36 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.905 111.2 50.2 -63.0 -43.7 7.8 97.0 82.3 237 94 B A H <>S+ 0 0 2 -4,-2.0 5,-2.8 2,-0.2 -2,-0.2 0.910 114.1 46.0 -62.1 -42.2 4.7 98.5 80.6 238 95 B N H ><5S+ 0 0 84 -4,-2.6 3,-1.6 3,-0.2 -2,-0.2 0.902 108.9 54.1 -65.0 -42.4 3.5 99.6 84.1 239 96 B K H 3<5S+ 0 0 182 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.928 113.8 43.9 -54.0 -42.7 6.9 101.1 85.0 240 97 B L T 3<5S- 0 0 91 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.381 111.2-127.4 -87.0 5.4 6.6 103.1 81.8 241 98 B K T < 5 + 0 0 197 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.886 58.2 146.7 44.6 52.0 3.0 103.9 82.6 242 99 B T < - 0 0 56 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.870 48.3-139.2-109.3 149.7 1.9 102.7 79.1 243 100 B N S S+ 0 0 119 -2,-0.3 2,-0.5 1,-0.1 -96,-0.3 0.682 80.2 49.9 -80.7 -23.7 -1.5 101.0 78.6 244 101 B Y S S- 0 0 115 -7,-0.1 2,-0.7 -98,-0.1 -96,-0.2 -0.976 73.7-132.4-130.0 132.4 -0.7 98.2 76.3 245 102 B I B -c 148 0C 8 -98,-3.1 -96,-2.7 -2,-0.5 -93,-0.2 -0.705 36.9-171.9 -83.7 113.7 2.0 95.6 76.5 246 103 B G >> - 0 0 1 -2,-0.7 4,-1.6 -98,-0.2 3,-0.6 -0.370 41.7 -91.0-100.2 178.2 3.7 95.6 73.1 247 104 B T H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 124.4 60.1 -55.0 -34.9 6.3 93.4 71.4 248 105 B E H 3> S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.841 102.8 51.0 -65.1 -34.6 9.0 95.7 72.7 249 106 B H H <> S+ 0 0 3 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.849 109.3 50.5 -71.1 -36.8 8.0 95.0 76.3 250 107 B I H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.932 112.3 46.7 -64.8 -46.9 8.1 91.2 75.7 251 108 B L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.914 110.9 52.3 -62.5 -40.5 11.6 91.5 74.2 252 109 B L H X S+ 0 0 22 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.917 110.3 49.8 -58.5 -43.2 12.7 93.8 77.1 253 110 B A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.896 107.8 52.1 -66.6 -39.0 11.5 91.1 79.5 254 111 B I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.962 114.0 44.6 -58.4 -47.8 13.3 88.3 77.7 255 112 B I H < S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.942 115.0 47.3 -64.6 -47.3 16.6 90.3 78.0 256 113 B Q H < S+ 0 0 130 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.876 103.6 60.3 -60.9 -43.2 15.9 91.3 81.6 257 114 B E H < S- 0 0 41 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.917 87.5-169.1 -51.2 -47.9 15.1 87.7 82.6 258 115 B G < + 0 0 44 -4,-1.9 2,-0.2 -5,-0.2 -1,-0.1 0.278 48.0 70.2 82.2 -9.8 18.6 86.9 81.5 259 116 B E > + 0 0 89 -5,-0.2 4,-0.5 -34,-0.0 -1,-0.2 -0.679 61.3 70.7-124.8-175.1 18.6 83.1 81.4 260 117 B G H > S- 0 0 10 -2,-0.2 4,-1.9 1,-0.2 3,-0.2 -0.173 95.2 -63.7 88.5 168.2 16.9 80.4 79.3 261 118 B I H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.830 127.7 61.1 -68.8 -37.7 17.5 79.4 75.7 262 119 B A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.941 109.6 43.1 -53.8 -50.0 16.5 82.8 74.2 263 120 B N H X S+ 0 0 3 -4,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.889 111.0 54.8 -64.9 -37.0 19.3 84.5 76.1 264 121 B K H X S+ 0 0 125 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.917 110.7 46.5 -58.7 -41.8 21.8 81.7 75.3 265 122 B I H X S+ 0 0 2 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.921 111.9 48.8 -69.5 -42.0 21.0 82.2 71.6 266 123 B L H <>S+ 0 0 0 -4,-2.3 5,-2.3 -5,-0.2 6,-0.5 0.901 116.5 45.7 -61.2 -40.2 21.4 86.0 71.8 267 124 B N H ><5S+ 0 0 92 -4,-2.7 3,-1.1 -5,-0.2 -2,-0.2 0.907 109.6 52.0 -66.7 -44.0 24.7 85.4 73.6 268 125 B Y H 3<5S+ 0 0 173 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.889 110.0 50.6 -61.4 -39.5 25.9 82.7 71.2 269 126 B A T 3<5S- 0 0 38 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.584 112.5-124.9 -73.1 -14.8 25.3 85.1 68.4 270 127 B G T < 5S+ 0 0 60 -3,-1.1 -3,-0.2 -4,-0.4 4,-0.1 0.713 82.9 103.4 78.5 22.0 27.2 87.9 70.3 271 128 B V >< + 0 0 20 -5,-2.3 4,-2.6 -6,-0.2 5,-0.2 0.228 30.8 109.9-123.4 18.6 24.3 90.3 70.1 272 129 B N H > S+ 0 0 23 -6,-0.5 4,-2.1 1,-0.2 5,-0.1 0.962 91.5 36.4 -61.0 -50.5 22.7 90.4 73.6 273 130 B D H > S+ 0 0 134 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.852 116.6 54.1 -70.5 -34.8 23.9 94.0 74.4 274 131 B R H > S+ 0 0 177 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.881 108.4 50.2 -63.4 -41.7 23.5 95.1 70.8 275 132 B T H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.919 110.1 50.3 -61.9 -47.6 19.8 93.9 70.8 276 133 B L H X S+ 0 0 59 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.912 111.3 47.5 -57.6 -45.8 19.2 95.8 74.1 277 134 B A H X S+ 0 0 57 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.926 113.5 48.0 -62.6 -43.5 20.7 99.0 72.7 278 135 B Q H X S+ 0 0 40 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.912 113.5 48.2 -61.2 -44.0 18.7 98.7 69.5 279 136 B L H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.916 109.8 52.7 -59.8 -45.5 15.5 98.0 71.5 280 137 B T H < S+ 0 0 71 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.925 112.7 42.5 -64.1 -46.0 16.2 101.0 73.8 281 138 B I H >< S+ 0 0 100 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.843 109.8 57.6 -69.6 -31.0 16.5 103.5 70.9 282 139 B D H 3< S+ 0 0 56 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.733 103.7 54.7 -70.8 -19.5 13.6 102.0 69.1 283 140 B X T 3< 0 0 60 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.375 360.0 360.0 -92.3 1.7 11.5 102.7 72.2 284 141 B X < 0 0 188 -3,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.814 360.0 360.0 -79.8 360.0 12.6 106.4 72.1 285 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 286 1 C N > 0 0 111 0, 0.0 3,-3.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 41.7 21.8 43.3 88.9 287 2 C F G > + 0 0 108 1,-0.3 3,-1.4 2,-0.2 8,-0.1 0.677 360.0 59.6 -54.2 -30.7 25.3 44.7 88.0 288 3 C N G 3 S+ 0 0 154 1,-0.2 -1,-0.3 97,-0.0 0, 0.0 0.619 101.9 58.0 -65.9 -11.7 27.2 41.6 89.2 289 4 C R G < S+ 0 0 56 -3,-3.7 97,-2.9 96,-0.1 -1,-0.2 0.475 85.5 99.2 -94.1 -6.3 25.2 39.5 86.7 290 5 C F B < S-e 386 0E 6 -3,-1.4 97,-0.2 -4,-0.3 2,-0.0 -0.593 74.8-119.6 -84.3 145.5 26.2 41.5 83.6 291 6 C T > - 0 0 46 95,-2.6 4,-2.9 -2,-0.2 5,-0.2 -0.332 32.3-107.2 -70.1 164.9 29.0 40.3 81.2 292 7 C Q H > S+ 0 0 129 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.907 123.8 51.6 -60.6 -42.4 31.9 42.7 80.8 293 8 C R H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.902 110.6 47.7 -61.0 -43.2 30.6 43.6 77.3 294 9 C A H > S+ 0 0 0 92,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.921 112.5 49.7 -62.2 -44.2 27.1 44.3 78.8 295 10 C K H X S+ 0 0 62 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.913 110.4 49.6 -58.9 -43.3 28.7 46.4 81.5 296 11 C K H X S+ 0 0 113 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.899 106.8 55.7 -69.4 -33.8 30.7 48.4 79.0 297 12 C A H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.923 110.5 45.5 -58.5 -44.7 27.6 49.0 76.9 298 13 C I H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.925 111.4 52.4 -65.7 -43.2 25.9 50.5 79.9 299 14 C D H X S+ 0 0 98 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.928 109.6 48.6 -52.9 -49.9 29.1 52.5 80.6 300 15 C L H X S+ 0 0 13 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.796 106.9 57.4 -62.7 -32.8 29.0 53.8 77.0 301 16 C A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.942 110.2 43.1 -59.6 -48.6 25.3 54.7 77.5 302 17 C F H X S+ 0 0 61 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.901 115.1 49.6 -62.0 -42.1 26.1 56.9 80.5 303 18 C E H X S+ 0 0 104 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.891 110.2 51.0 -67.8 -40.4 29.1 58.4 78.6 304 19 C S H X S+ 0 0 2 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.929 111.0 47.7 -59.9 -48.0 27.0 59.1 75.6 305 20 C A H X>S+ 0 0 0 -4,-2.5 5,-3.2 2,-0.2 4,-0.6 0.932 112.5 49.3 -58.1 -48.4 24.4 60.9 77.7 306 21 C K H ><5S+ 0 0 106 -4,-2.6 3,-1.4 1,-0.2 52,-1.2 0.939 110.1 51.3 -53.4 -51.7 27.0 62.9 79.5 307 22 C S H 3<5S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.812 111.0 47.8 -57.4 -35.4 28.6 63.9 76.1 308 23 C L H 3<5S- 0 0 2 -4,-1.7 47,-2.5 -3,-0.2 -1,-0.3 0.447 116.8-112.2 -88.2 -2.8 25.3 65.1 74.7 309 24 C G T <<5 + 0 0 12 -3,-1.4 2,-0.5 -4,-0.6 -3,-0.2 0.758 66.4 152.2 79.9 23.1 24.5 67.1 77.8 310 25 C H < - 0 0 22 -5,-3.2 -1,-0.3 -6,-0.2 48,-0.1 -0.798 36.1-161.2 -95.2 127.0 21.7 64.7 78.7 311 26 C N S S+ 0 0 20 -2,-0.5 51,-1.4 -3,-0.1 2,-0.4 0.598 75.6 50.3 -72.7 -24.3 20.8 64.3 82.4 312 27 C I E S-f 362 0F 12 49,-0.2 2,-0.8 181,-0.1 51,-0.2 -0.987 76.6-134.7-129.2 130.8 18.9 61.1 82.1 313 28 C V E -f 363 0F 0 49,-2.9 51,-2.6 -2,-0.4 54,-0.2 -0.804 35.6-175.5 -86.4 107.3 20.1 57.9 80.4 314 29 C G >> - 0 0 6 -2,-0.8 4,-1.9 49,-0.2 3,-0.8 -0.360 44.9 -88.0 -94.7 179.8 17.1 56.7 78.3 315 30 C S H 3> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.835 127.1 59.3 -58.2 -30.8 16.5 53.6 76.2 316 31 C E H 3> S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.852 104.6 48.5 -69.0 -34.2 18.0 55.5 73.2 317 32 C H H <> S+ 0 0 2 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.864 110.8 51.8 -72.5 -37.5 21.3 56.0 75.1 318 33 C I H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.932 108.8 50.3 -60.5 -45.2 21.3 52.2 76.0 319 34 C L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.925 112.8 47.1 -57.5 -47.5 20.8 51.4 72.3 320 35 C L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.868 110.4 51.8 -63.7 -40.2 23.7 53.7 71.4 321 36 C G H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.901 109.1 50.9 -62.5 -41.9 25.9 52.1 74.2 322 37 C L H < S+ 0 0 0 -4,-2.5 9,-0.4 1,-0.2 4,-0.4 0.883 113.9 44.2 -61.6 -39.9 25.1 48.7 72.8 323 38 C L H >< S+ 0 0 8 -4,-2.0 3,-1.4 1,-0.2 -2,-0.2 0.906 112.0 52.1 -70.9 -40.4 26.1 49.8 69.3 324 39 C R H 3< S+ 0 0 55 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.728 94.3 71.9 -70.2 -20.4 29.3 51.6 70.5 325 40 C E T 3< S- 0 0 11 -4,-1.3 2,-2.3 -5,-0.2 -1,-0.3 0.759 79.4-174.5 -66.3 -23.7 30.3 48.4 72.4 326 41 C E < + 0 0 120 -3,-1.4 -1,-0.2 -4,-0.4 9,-0.1 -0.189 62.0 62.1 67.0 -45.7 31.1 46.9 68.9 327 42 C E S S+ 0 0 123 -2,-2.3 -1,-0.2 4,-0.1 -4,-0.1 0.697 83.0 87.3 -89.5 -26.7 32.0 43.3 69.8 328 43 C G S > S- 0 0 8 -6,-0.2 4,-2.0 -35,-0.1 5,-0.2 -0.267 88.8-104.1 -78.5 164.9 28.8 42.0 71.4 329 44 C I H > S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.858 117.1 57.4 -51.2 -44.1 25.8 40.4 69.7 330 45 C A H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.943 108.6 45.1 -60.9 -48.0 23.6 43.6 70.0 331 46 C A H > S+ 0 0 1 -9,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.912 113.5 51.0 -58.6 -43.5 26.1 45.7 68.1 332 47 C K H X S+ 0 0 100 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.901 113.0 44.8 -62.8 -41.2 26.5 43.0 65.4 333 48 C V H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.918 112.1 50.7 -68.8 -43.8 22.8 42.7 64.9 334 49 C L H <>S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.3 3,-0.2 0.918 111.1 50.3 -62.7 -39.2 22.2 46.4 64.9 335 50 C S H ><5S+ 0 0 64 -4,-2.6 3,-2.0 -5,-0.3 -1,-0.2 0.932 104.9 58.0 -61.9 -42.4 25.0 46.7 62.3 336 51 C K H 3<5S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.830 105.5 49.7 -56.1 -35.7 23.4 44.0 60.2 337 52 C V T 3<5S- 0 0 14 -4,-1.6 -1,-0.3 -3,-0.2 -252,-0.2 0.271 129.8 -92.7 -90.9 12.6 20.2 46.0 59.9 338 53 C G T < 5S+ 0 0 4 -3,-2.0 2,-0.3 1,-0.3 -254,-0.2 0.528 74.7 143.5 98.0 4.1 22.0 49.2 58.8 339 54 C F < - 0 0 3 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.608 22.2-177.8 -77.9 137.8 22.7 51.1 62.0 340 55 C T > - 0 0 45 -2,-0.3 4,-2.6 -261,-0.2 5,-0.2 -0.925 36.9-118.9-123.4 157.5 26.0 53.0 62.4 341 56 C E H > S+ 0 0 73 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.900 115.1 54.1 -62.8 -38.3 27.1 54.9 65.5 342 57 C A H > S+ 0 0 51 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 110.7 46.5 -61.1 -41.4 27.2 58.2 63.5 343 58 C Y H > S+ 0 0 6 2,-0.2 4,-2.9 3,-0.2 5,-0.2 0.963 114.9 45.1 -63.3 -49.3 23.6 57.7 62.4 344 59 C L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.938 116.4 44.5 -68.8 -44.6 22.3 56.8 65.9 345 60 C E H X S+ 0 0 66 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.953 114.7 50.5 -59.9 -45.3 24.1 59.5 67.6 346 61 C G H X S+ 0 0 20 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.868 111.7 47.8 -58.6 -40.0 23.0 62.0 64.9 347 62 C K H X S+ 0 0 20 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.895 109.0 53.1 -73.4 -41.8 19.4 60.9 65.1 348 63 C I H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.3 0.950 112.3 45.0 -55.4 -48.5 19.4 61.2 68.9 349 64 C V H X S+ 0 0 27 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.863 110.2 54.8 -64.9 -36.7 20.7 64.8 68.7 350 65 C D H < S+ 0 0 40 -4,-1.9 -138,-2.0 -5,-0.2 -1,-0.2 0.836 117.0 37.4 -63.7 -31.9 18.2 65.5 65.9 351 66 C X H < S+ 0 0 31 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.771 135.7 17.4 -85.4 -31.6 15.3 64.4 68.2 352 67 C E H < S- 0 0 59 -4,-2.2 -3,-0.2 1,-0.2 -141,-0.2 0.462 93.4-137.6-126.8 -10.2 16.5 65.7 71.6 353 68 C G < - 0 0 0 -4,-2.3 2,-0.4 -5,-0.3 -144,-0.3 -0.151 24.8 -90.2 74.1-177.6 19.2 68.3 70.9 354 69 C K - 0 0 108 -146,-1.6 -45,-0.2 -4,-0.1 2,-0.2 -0.998 31.9-167.3-134.0 139.1 22.5 68.6 72.8 355 70 C G - 0 0 39 -47,-2.5 2,-0.1 -2,-0.4 -45,-0.1 -0.521 46.1 -72.7-102.3 179.7 23.2 70.6 75.9 356 71 C E S S- 0 0 186 -2,-0.2 -1,-0.1 -47,-0.2 -48,-0.1 -0.507 74.0 -72.0 -73.9 153.5 26.7 71.3 77.3 357 72 C E 0 0 127 -50,-0.2 -50,-0.2 -2,-0.1 -1,-0.1 0.038 360.0 360.0 -55.0 149.0 28.3 68.3 79.0 358 73 C I 0 0 53 -52,-1.2 3,-0.1 -48,-0.1 -1,-0.1 -0.761 360.0 360.0-105.2 360.0 27.1 67.0 82.3 359 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 360 76 C D 0 0 151 0, 0.0 2,-0.3 0, 0.0 -49,-0.0 0.000 360.0 360.0 360.0 127.2 24.9 63.5 88.4 361 77 C I - 0 0 25 -3,-0.1 2,-0.3 -49,-0.1 -49,-0.2 -0.593 360.0-178.8 -94.3 139.1 23.4 61.3 85.7 362 78 C V E -f 312 0F 62 -51,-1.4 -49,-2.9 -2,-0.3 2,-0.2 -0.926 31.4 -96.7-135.2 160.6 20.7 58.6 86.3 363 79 C L E -f 313 0F 19 -2,-0.3 -49,-0.2 -51,-0.2 131,-0.0 -0.516 41.2-116.4 -72.9 142.7 18.8 55.9 84.4 364 80 C S > - 0 0 6 -51,-2.6 4,-2.2 -2,-0.2 5,-0.2 -0.272 31.3-104.7 -66.2 161.2 15.3 56.8 83.2 365 81 C P H > S+ 0 0 18 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.927 123.9 48.8 -56.0 -42.7 12.4 54.8 84.7 366 82 C R H > S+ 0 0 18 128,-0.5 4,-3.0 130,-0.3 5,-0.1 0.880 107.4 54.7 -67.3 -34.9 12.1 52.9 81.4 367 83 C S H > S+ 0 0 0 2,-0.2 4,-2.8 -54,-0.2 -1,-0.2 0.911 107.8 50.3 -61.1 -40.8 15.8 52.2 81.3 368 84 C K H X S+ 0 0 82 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 110.9 48.9 -64.5 -38.2 15.6 50.7 84.8 369 85 C Q H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.911 109.7 52.1 -66.4 -40.7 12.7 48.6 83.6 370 86 C I H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.918 109.7 48.5 -58.9 -48.7 14.7 47.5 80.5 371 87 C L H X S+ 0 0 12 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.890 111.7 50.1 -59.6 -39.3 17.6 46.4 82.7 372 88 C E H X S+ 0 0 80 -4,-2.3 4,-1.6 1,-0.2 3,-0.4 0.927 110.9 49.3 -58.0 -51.5 15.1 44.5 84.9 373 89 C L H X S+ 0 0 19 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.811 102.9 61.3 -59.3 -35.0 13.7 42.8 81.8 374 90 C S H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.890 105.3 47.7 -58.9 -40.4 17.3 41.9 80.6 375 91 C G H X S+ 0 0 4 -4,-1.3 4,-2.3 -3,-0.4 -2,-0.2 0.883 110.0 52.5 -63.8 -40.4 17.6 39.8 83.8 376 92 C X H X S+ 0 0 79 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.898 108.1 51.6 -65.7 -39.3 14.2 38.2 83.2 377 93 C F H X S+ 0 0 39 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.887 106.8 52.7 -60.0 -43.0 15.4 37.3 79.7 378 94 C A H X>S+ 0 0 0 -4,-1.9 5,-2.4 1,-0.2 4,-0.9 0.938 112.9 45.3 -61.6 -41.3 18.6 35.7 81.1 379 95 C N H <5S+ 0 0 100 -4,-2.3 3,-0.2 3,-0.2 -2,-0.2 0.924 115.8 45.5 -62.2 -43.4 16.3 33.6 83.4 380 96 C K H <5S+ 0 0 164 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.855 118.0 42.1 -71.1 -37.5 13.9 32.7 80.6 381 97 C L H <5S- 0 0 72 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.570 112.1-123.1 -85.2 -7.5 16.6 31.9 78.1 382 98 C K T <5 + 0 0 189 -4,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.963 56.1 148.3 61.1 59.9 18.6 30.0 80.8 383 99 C T < - 0 0 41 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.1 -0.945 50.3-135.0-119.8 145.2 21.9 31.9 80.7 384 100 C N S S+ 0 0 129 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.874 85.9 32.5 -58.7 -40.6 24.2 32.6 83.6 385 101 C Y S S- 0 0 141 -7,-0.1 2,-0.7 -3,-0.1 -95,-0.2 -0.750 79.8-112.0-126.8 157.2 24.8 36.2 82.7 386 102 C I B -e 290 0E 0 -97,-2.9 -95,-2.6 -2,-0.3 -92,-0.2 -0.862 44.7-178.7 -88.8 116.2 23.1 39.2 81.2 387 103 C G >> - 0 0 1 -2,-0.7 4,-1.5 -97,-0.2 3,-0.6 -0.507 46.0 -89.5-107.3 178.3 24.8 39.9 77.9 388 104 C T H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.852 124.6 60.7 -56.6 -36.9 24.3 42.6 75.2 389 105 C E H 3> S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 102.7 50.0 -59.0 -40.3 21.8 40.3 73.5 390 106 C H H <> S+ 0 0 2 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.869 109.8 51.5 -67.9 -35.7 19.5 40.2 76.6 391 107 C I H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.910 110.2 48.3 -69.2 -40.0 19.6 44.0 76.8 392 108 C L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.937 112.2 49.0 -64.6 -43.3 18.6 44.3 73.1 393 109 C L H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.883 108.3 54.8 -61.1 -38.8 15.7 41.8 73.6 394 110 C A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.910 106.2 51.3 -60.4 -42.9 14.6 43.8 76.6 395 111 C I H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 6,-0.3 0.952 112.3 46.6 -57.3 -47.9 14.4 47.0 74.5 396 112 C I H < S+ 0 0 23 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.909 112.6 49.6 -60.6 -44.7 12.3 45.2 71.9 397 113 C Q H < S+ 0 0 126 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.851 104.2 58.8 -62.9 -40.8 10.0 43.7 74.6 398 114 C E H < S- 0 0 15 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 0.941 84.4-174.4 -56.8 -50.8 9.5 47.0 76.3 399 115 C G < + 0 0 30 -4,-1.8 -1,-0.1 -5,-0.2 -3,-0.1 -0.034 55.6 62.5 91.7 -32.3 8.1 48.3 73.0 400 116 C E + 0 0 132 -2,-0.3 96,-0.1 -5,-0.1 -1,-0.1 0.392 68.3 103.4-117.4 3.0 7.5 52.0 73.7 401 117 C G S > S- 0 0 3 -6,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.145 84.2 -93.9 -78.4-172.7 10.7 54.0 74.4 402 118 C I H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.882 125.3 60.2 -57.6 -40.1 12.7 56.4 72.3 403 119 C A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.927 106.8 47.4 -55.7 -42.0 15.0 53.4 71.3 404 120 C N H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.871 108.0 52.8 -68.2 -36.3 11.9 51.7 69.8 405 121 C K H X S+ 0 0 83 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.894 111.5 48.2 -64.9 -37.6 10.7 54.8 68.0 406 122 C I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 6,-0.2 0.942 112.5 47.5 -69.4 -42.0 14.2 54.9 66.4 407 123 C L H <>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.2 4,-0.4 0.947 119.5 40.1 -60.3 -44.3 14.1 51.2 65.5 408 124 C N H ><5S+ 0 0 82 -4,-2.9 3,-1.9 2,-0.2 -2,-0.2 0.954 114.1 51.1 -69.2 -53.4 10.6 51.6 64.0 409 125 C Y H 3<5S+ 0 0 115 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.856 109.9 53.5 -48.7 -42.9 11.2 54.9 62.3 410 126 C A T 3<5S- 0 0 7 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.550 120.8-107.2 -79.5 -10.8 14.3 53.5 60.8 411 127 C G T < 5 + 0 0 29 -3,-1.9 2,-0.4 -4,-0.4 -3,-0.2 0.528 65.8 147.4 101.8 6.4 12.5 50.5 59.3 412 128 C V < - 0 0 12 -5,-2.6 2,-0.5 -6,-0.2 -1,-0.3 -0.630 42.5-138.0 -80.5 129.2 13.7 47.7 61.6 413 129 C N > - 0 0 88 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.751 7.9-139.6 -86.0 125.9 11.1 45.0 62.1 414 130 C D H > S+ 0 0 51 -2,-0.5 4,-2.2 2,-0.2 -1,-0.1 0.829 101.7 50.2 -52.2 -42.3 11.0 43.8 65.8 415 131 C R H > S+ 0 0 212 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.934 111.3 48.9 -63.6 -47.9 10.7 40.1 64.9 416 132 C T H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.911 111.3 48.8 -55.8 -44.6 13.6 40.3 62.5 417 133 C L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.934 112.6 48.1 -67.5 -41.6 15.8 42.0 65.1 418 134 C A H X S+ 0 0 29 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.870 111.7 50.2 -63.4 -42.9 14.9 39.4 67.8 419 135 C Q H X S+ 0 0 103 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.931 109.8 49.9 -61.7 -49.7 15.6 36.5 65.3 420 136 C L H X S+ 0 0 38 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.882 110.3 53.4 -54.9 -41.9 19.0 37.9 64.3 421 137 C T H >< S+ 0 0 0 -4,-2.0 3,-1.1 -5,-0.2 4,-0.4 0.952 112.2 39.6 -58.7 -58.8 19.8 38.2 68.0 422 138 C I H >< S+ 0 0 80 -4,-2.1 3,-1.1 1,-0.3 -1,-0.2 0.831 107.2 66.5 -66.5 -27.8 19.1 34.6 69.1 423 139 C D H 3< S+ 0 0 102 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.758 103.5 46.5 -58.4 -28.1 20.7 33.4 65.8 424 140 C X T << S+ 0 0 72 -3,-1.1 -1,-0.2 -4,-0.7 2,-0.2 0.505 94.8 96.6 -92.7 -5.4 24.0 34.7 67.1 425 141 C X < 0 0 40 -3,-1.1 -3,-0.0 -4,-0.4 0, 0.0 -0.612 360.0 360.0 -83.6 146.6 23.6 33.1 70.6 426 142 C G 0 0 156 -2,-0.2 -3,-0.0 0, 0.0 -4,-0.0 -0.079 360.0 360.0 58.7 360.0 25.2 29.8 71.5 427 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 428 1 D N > 0 0 114 0, 0.0 3,-3.0 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 -48.3 5.4 59.6 110.9 429 2 D F G > + 0 0 84 1,-0.3 3,-0.9 2,-0.2 100,-0.1 0.739 360.0 70.4 -56.3 -24.0 2.3 59.8 108.7 430 3 D N G 3 S+ 0 0 155 1,-0.2 -1,-0.3 98,-0.0 0, 0.0 0.810 95.5 55.7 -55.2 -30.8 0.2 60.7 111.8 431 4 D R G < S+ 0 0 66 -3,-3.0 98,-2.4 97,-0.1 -1,-0.2 0.629 85.0 100.2 -83.6 -18.1 2.0 64.0 111.8 432 5 D F B < S-g 529 0G 8 -3,-0.9 98,-0.2 -4,-0.4 86,-0.0 -0.472 73.8-121.6 -67.9 138.6 1.1 65.1 108.2 433 6 D T > - 0 0 44 96,-2.5 4,-2.4 -2,-0.2 5,-0.2 -0.231 31.1-103.2 -63.1 166.7 -1.8 67.5 107.7 434 7 D Q H > S+ 0 0 178 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 124.6 48.7 -56.3 -49.9 -4.7 66.4 105.5 435 8 D R H > S+ 0 0 125 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.885 110.8 50.2 -59.4 -44.2 -3.4 68.6 102.6 436 9 D A H > S+ 0 0 0 93,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.892 110.6 49.1 -62.7 -40.3 0.1 67.1 103.0 437 10 D K H X S+ 0 0 79 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.928 110.8 51.1 -62.0 -45.6 -1.2 63.5 103.0 438 11 D K H X S+ 0 0 122 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.892 106.5 54.2 -61.4 -38.3 -3.3 64.3 99.8 439 12 D A H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.915 110.7 46.6 -60.2 -43.5 -0.1 65.7 98.1 440 13 D I H X S+ 0 0 2 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.915 110.4 52.1 -65.4 -41.5 1.7 62.4 98.8 441 14 D D H X S+ 0 0 95 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.925 110.4 49.0 -59.9 -41.9 -1.3 60.4 97.6 442 15 D L H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.795 105.2 58.6 -68.2 -28.8 -1.2 62.5 94.4 443 16 D A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.937 108.1 46.0 -63.8 -46.0 2.5 61.8 94.1 444 17 D F H X S+ 0 0 50 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.935 113.0 48.7 -61.5 -49.7 1.8 58.1 94.0 445 18 D E H X S+ 0 0 98 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.862 110.5 52.3 -52.9 -45.0 -1.1 58.5 91.5 446 19 D S H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.925 108.5 49.8 -60.6 -47.1 1.2 60.6 89.3 447 20 D A H X>S+ 0 0 0 -4,-2.1 5,-2.7 2,-0.2 4,-0.7 0.943 113.8 45.7 -55.4 -50.3 3.9 58.0 89.3 448 21 D K H ><5S+ 0 0 124 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.917 110.2 53.0 -60.6 -45.7 1.4 55.3 88.4 449 22 D S H 3<5S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.808 110.9 48.5 -63.2 -28.4 -0.2 57.4 85.6 450 23 D L H 3<5S- 0 0 5 -4,-1.6 47,-2.0 -3,-0.3 -1,-0.3 0.549 115.5-114.5 -87.8 -8.9 3.3 57.9 84.2 451 24 D G T <<5S+ 0 0 12 -3,-1.3 2,-0.6 -4,-0.7 -3,-0.2 0.774 70.0 141.3 78.8 25.5 4.2 54.2 84.3 452 25 D H < - 0 0 2 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.2 -0.910 38.7-165.0 -99.5 124.2 6.9 54.9 86.8 453 26 D N S S+ 0 0 27 -2,-0.6 52,-1.6 -3,-0.1 2,-0.4 0.467 73.0 62.8 -86.1 -3.7 7.2 52.3 89.6 454 27 D I E S-h 505 0H 59 50,-0.2 2,-0.8 -7,-0.1 52,-0.2 -0.992 77.8-136.6-125.0 126.3 9.3 54.4 91.9 455 28 D V E +h 506 0H 0 50,-3.2 52,-2.7 -2,-0.4 55,-0.3 -0.766 35.1 177.8 -83.0 109.9 8.0 57.7 93.5 456 29 D G >> - 0 0 9 -2,-0.8 4,-1.7 50,-0.2 3,-0.7 -0.409 47.6 -83.3-104.8-176.3 10.9 60.2 93.2 457 30 D S H 3> S+ 0 0 2 1,-0.3 4,-2.7 2,-0.2 5,-0.1 0.814 125.1 59.6 -59.3 -35.8 11.2 63.8 94.1 458 31 D E H 3> S+ 0 0 12 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.841 105.1 47.9 -65.2 -35.9 9.6 64.9 90.8 459 32 D H H <> S+ 0 0 1 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.846 110.6 52.3 -73.8 -33.7 6.4 63.0 91.6 460 33 D I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.951 110.2 49.2 -64.1 -46.4 6.4 64.6 95.1 461 34 D L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.917 112.6 46.8 -55.2 -45.6 6.7 68.0 93.5 462 35 D L H X S+ 0 0 2 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.902 110.5 52.7 -67.6 -39.9 3.9 67.2 91.1 463 36 D G H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.898 108.7 50.7 -60.2 -42.9 1.7 65.9 94.0 464 37 D L H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 9,-0.3 0.909 113.5 45.0 -60.8 -44.8 2.3 69.2 95.9 465 38 D L H >< S+ 0 0 6 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.915 112.5 50.0 -67.2 -41.8 1.3 71.2 92.9 466 39 D R H 3< S+ 0 0 65 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.782 96.3 70.8 -66.6 -27.3 -1.8 69.1 92.1 467 40 D E H 3< S- 0 0 15 -4,-1.8 2,-2.2 -5,-0.2 -1,-0.2 0.827 80.3-176.9 -61.1 -30.6 -2.9 69.4 95.7 468 41 D E << + 0 0 134 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.1 -0.138 58.8 65.7 76.3 -44.7 -3.7 73.1 94.8 469 42 D E S S+ 0 0 110 -2,-2.2 -1,-0.2 4,-0.1 -4,-0.1 0.727 82.7 86.5 -88.8 -25.6 -4.8 74.5 98.2 470 43 D G S > S- 0 0 6 -6,-0.2 4,-2.2 -35,-0.1 5,-0.2 -0.214 88.9-103.3 -77.7 169.8 -1.6 74.3 100.2 471 44 D I H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.881 118.2 56.3 -53.3 -43.9 1.3 76.7 100.5 472 45 D A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.946 109.6 44.2 -62.5 -44.3 3.5 74.5 98.3 473 46 D A H > S+ 0 0 1 -9,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.883 114.0 51.6 -65.2 -35.1 1.1 74.7 95.4 474 47 D K H X S+ 0 0 105 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.911 111.8 45.7 -70.1 -42.0 0.5 78.4 95.9 475 48 D V H X S+ 0 0 0 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.919 112.5 50.1 -62.5 -46.9 4.3 79.1 95.9 476 49 D L H <>S+ 0 0 0 -4,-2.4 5,-2.6 -5,-0.3 -2,-0.2 0.901 110.7 50.5 -62.5 -41.4 4.9 77.0 92.8 477 50 D S H ><5S+ 0 0 66 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.2 0.918 105.2 57.4 -62.0 -41.1 2.1 78.8 91.0 478 51 D K H 3<5S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.839 106.0 50.0 -58.1 -34.6 3.6 82.2 92.0 479 52 D V T 3<5S- 0 0 11 -4,-1.6 -1,-0.3 -3,-0.2 -251,-0.2 0.340 130.3 -93.0 -90.6 9.5 6.8 81.2 90.2 480 53 D G T < 5S+ 0 0 1 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.508 74.5 143.7 101.7 3.1 5.0 80.2 87.1 481 54 D F < - 0 0 2 -5,-2.6 2,-0.3 -6,-0.2 -1,-0.3 -0.549 21.8-177.8 -76.3 141.3 4.5 76.4 87.5 482 55 D T > - 0 0 48 -2,-0.2 4,-2.5 -260,-0.1 5,-0.2 -0.928 37.5-117.8-126.4 156.6 1.3 74.7 86.2 483 56 D E H > S+ 0 0 82 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.900 116.3 52.4 -51.8 -47.6 0.3 71.0 86.5 484 57 D A H > S+ 0 0 37 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 111.0 47.2 -64.0 -40.6 0.4 70.6 82.7 485 58 D Y H > S+ 0 0 5 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.943 113.4 46.5 -62.2 -48.2 3.9 72.1 82.5 486 59 D L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.929 114.6 46.2 -69.6 -43.8 5.4 70.0 85.3 487 60 D E H X S+ 0 0 83 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.922 115.6 46.8 -58.8 -42.4 3.8 66.7 84.0 488 61 D G H X S+ 0 0 12 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.861 112.5 50.0 -70.6 -33.8 5.0 67.5 80.4 489 62 D K H X S+ 0 0 54 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.873 107.9 52.7 -69.9 -41.7 8.4 68.4 81.6 490 63 D I H X>S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 5,-0.5 0.957 113.1 45.4 -57.1 -50.7 8.8 65.2 83.6 491 64 D V H X5S+ 0 0 36 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.921 112.9 50.1 -57.2 -46.4 7.8 63.3 80.5 492 65 D D H <5S+ 0 0 80 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.818 116.2 42.2 -62.5 -33.0 10.2 65.3 78.3 493 66 D X H <5S+ 0 0 33 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.845 138.1 3.9 -83.3 -38.3 13.1 64.8 80.7 494 67 D E H <5S- 0 0 16 -4,-2.7 -128,-0.5 -5,-0.2 -3,-0.2 0.419 92.6-137.7-134.5 0.8 12.7 61.1 81.6 495 68 D G << - 0 0 25 -4,-2.2 2,-0.2 -5,-0.5 -1,-0.1 0.032 32.3 -66.6 72.6-179.2 9.9 59.7 79.5 496 69 D K - 0 0 108 -96,-0.1 -130,-0.3 -5,-0.1 -45,-0.2 -0.572 48.3-145.0 -93.9 169.6 7.2 57.4 80.6 497 70 D G - 0 0 6 -47,-2.0 2,-0.3 -2,-0.2 -45,-0.2 -0.627 13.7-129.2-117.9-178.6 7.7 53.8 81.7 498 71 D E - 0 0 57 -2,-0.2 -46,-0.1 -133,-0.1 -47,-0.1 -0.812 35.2-130.4-132.2 93.3 5.9 50.5 81.4 499 72 D E - 0 0 113 -2,-0.3 -47,-0.1 -51,-0.1 3,-0.1 -0.079 6.9-151.2 -36.6 127.6 5.9 49.0 84.9 500 73 D I S S+ 0 0 55 3,-0.1 2,-0.3 1,-0.0 -1,-0.1 0.705 81.1 5.4 -81.8 -20.8 7.0 45.3 85.1 501 74 D S S S- 0 0 49 2,-0.2 -1,-0.0 1,-0.0 -2,-0.0 -0.875 79.1-104.8-145.8-176.4 4.8 44.7 88.1 502 75 D E S S+ 0 0 149 -2,-0.3 -3,-0.0 -3,-0.1 2,-0.0 0.675 76.5 115.9 -85.6 -21.7 2.2 46.6 90.2 503 76 D D - 0 0 119 1,-0.1 2,-0.4 -49,-0.0 -2,-0.2 -0.286 44.5-170.0 -59.4 126.5 4.4 47.3 93.2 504 77 D I + 0 0 42 -50,-0.0 2,-0.3 -2,-0.0 -50,-0.2 -0.973 10.6 170.5-125.1 121.6 4.9 51.1 93.8 505 78 D V E -h 454 0H 78 -52,-1.6 -50,-3.2 -2,-0.4 2,-0.3 -0.819 36.4-105.5-127.6 155.7 7.4 52.4 96.3 506 79 D L E -h 455 0H 32 -2,-0.3 -50,-0.2 -52,-0.2 -53,-0.0 -0.662 42.0-118.6 -72.7 137.3 9.1 55.7 97.4 507 80 D S > - 0 0 15 -52,-2.7 4,-2.1 -2,-0.3 5,-0.2 -0.241 28.7-104.9 -62.6 164.8 12.7 56.0 96.3 508 81 D P H > S+ 0 0 115 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.915 125.4 53.5 -57.3 -38.5 15.4 56.2 99.0 509 82 D R H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.894 107.1 50.0 -62.4 -42.6 15.6 60.0 98.1 510 83 D S H > S+ 0 0 0 -55,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.893 108.9 51.2 -61.6 -42.2 11.8 60.4 98.6 511 84 D K H X S+ 0 0 121 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.898 109.6 51.0 -62.5 -38.8 11.9 58.7 102.0 512 85 D Q H X S+ 0 0 105 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.896 108.9 51.9 -65.0 -40.5 14.7 61.1 103.0 513 86 D I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.940 109.5 48.8 -61.0 -45.6 12.6 64.0 101.8 514 87 D L H X S+ 0 0 10 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.874 112.9 48.0 -64.4 -34.5 9.7 62.8 103.9 515 88 D E H >X S+ 0 0 120 -4,-2.1 4,-1.9 1,-0.2 3,-0.5 0.919 110.6 51.7 -66.3 -48.3 12.0 62.5 106.9 516 89 D L H 3X S+ 0 0 18 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.805 101.3 61.8 -58.8 -32.4 13.5 66.0 106.3 517 90 D S H 3X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.889 105.5 46.1 -64.2 -36.3 9.9 67.3 106.2 518 91 D G H S+ 0 0 0 -4,-1.8 5,-2.9 1,-0.2 4,-0.6 0.921 113.1 44.5 -62.0 -36.3 8.4 70.8 111.3 522 95 D N H <5S+ 0 0 101 -4,-2.3 3,-0.3 3,-0.2 -2,-0.2 0.923 115.4 45.8 -70.6 -44.5 10.7 70.4 114.4 523 96 D K H <5S+ 0 0 143 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.842 118.1 42.2 -66.6 -38.2 13.1 73.2 113.4 524 97 D L H <5S- 0 0 67 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.537 112.8-123.2 -84.1 -6.7 10.4 75.7 112.5 525 98 D K T <5 + 0 0 190 -4,-0.6 2,-0.4 -3,-0.3 -3,-0.2 0.974 56.0 148.6 58.6 62.1 8.4 74.6 115.6 526 99 D T < - 0 0 40 -5,-2.9 -1,-0.2 1,-0.1 -2,-0.1 -0.972 49.3-136.5-118.8 145.4 5.1 73.5 114.0 527 100 D N S S+ 0 0 126 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 0.880 85.5 37.4 -57.1 -42.6 2.8 70.7 115.3 528 101 D Y S S- 0 0 143 -7,-0.1 2,-0.7 -6,-0.0 -96,-0.2 -0.752 79.4-115.9-121.6 156.3 2.2 69.2 111.9 529 102 D I B -g 432 0G 0 -98,-2.4 -96,-2.5 -2,-0.3 -93,-0.2 -0.851 44.0-179.9 -90.8 114.0 4.0 68.5 108.6 530 103 D G >> - 0 0 2 -2,-0.7 4,-1.4 -98,-0.2 3,-0.7 -0.511 46.6 -89.5-106.4 178.9 2.3 70.6 106.0 531 104 D T H 3> S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.858 124.9 61.2 -56.1 -38.1 2.9 71.0 102.2 532 105 D E H 3> S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 102.4 50.7 -56.2 -41.6 5.3 73.9 103.0 533 106 D H H <> S+ 0 0 1 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.850 109.1 50.6 -66.9 -35.6 7.6 71.5 105.0 534 107 D I H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.904 109.9 50.7 -69.3 -39.3 7.6 69.0 102.1 535 108 D L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.929 111.5 46.9 -63.4 -43.5 8.6 71.7 99.6 536 109 D L H X S+ 0 0 12 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.890 109.2 55.8 -64.7 -38.3 11.4 72.9 101.9 537 110 D A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.896 105.7 51.5 -58.6 -43.6 12.5 69.3 102.3 538 111 D I H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 6,-0.2 0.958 111.9 46.4 -58.1 -49.8 12.8 69.0 98.5 539 112 D I H < S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.922 114.5 47.4 -57.1 -45.9 14.9 72.1 98.3 540 113 D Q H < S+ 0 0 116 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 105.7 56.3 -66.2 -42.2 17.1 70.9 101.2 541 114 D E H < S- 0 0 29 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.925 84.6-177.6 -55.7 -48.9 17.6 67.4 99.8 542 115 D G < + 0 0 32 -4,-2.0 -1,-0.1 -5,-0.2 -3,-0.1 0.329 48.4 81.8 81.9 -2.2 18.9 69.2 96.7 543 116 D E + 0 0 105 -5,-0.2 -1,-0.1 -34,-0.1 -4,-0.1 0.629 62.2 85.3-120.0 -17.9 19.6 66.2 94.5 544 117 D G S > S- 0 0 3 -6,-0.2 4,-1.6 1,-0.1 3,-0.2 -0.030 88.2 -90.4 -83.8-170.6 16.6 64.8 92.6 545 118 D I H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.843 123.1 65.2 -64.4 -29.8 14.9 65.5 89.3 546 119 D A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 104.0 45.8 -56.9 -43.7 12.6 67.9 91.2 547 120 D N H > S+ 0 0 7 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.872 110.0 53.1 -66.3 -38.7 15.6 70.0 91.9 548 121 D K H X S+ 0 0 35 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.921 111.4 47.2 -60.0 -44.0 16.8 69.8 88.3 549 122 D I H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 6,-0.3 0.920 111.0 51.0 -65.8 -43.7 13.3 71.0 87.1 550 123 D L H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 -2,-0.2 0.933 117.9 38.7 -59.0 -47.1 13.3 73.8 89.7 551 124 D N H ><5S+ 0 0 87 -4,-2.5 3,-2.4 3,-0.2 -2,-0.2 0.957 114.7 50.8 -68.5 -51.9 16.7 75.0 88.5 552 125 D Y H 3<5S+ 0 0 115 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.8 54.0 -54.3 -36.6 16.3 74.4 84.7 553 126 D A T 3<5S- 0 0 6 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.480 123.4-107.9 -77.8 -6.3 13.0 76.4 84.9 554 127 D G T < 5 + 0 0 26 -3,-2.4 2,-0.5 1,-0.3 -3,-0.2 0.611 66.3 149.7 90.0 13.3 14.9 79.3 86.5 555 128 D V < - 0 0 10 -5,-2.6 2,-0.4 -6,-0.3 -1,-0.3 -0.691 39.9-141.0 -79.8 123.6 13.5 79.0 90.0 556 129 D N > - 0 0 86 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.736 7.4-138.6 -83.6 133.6 16.1 80.2 92.6 557 130 D D H > S+ 0 0 50 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.908 102.7 49.3 -62.3 -44.0 16.1 78.0 95.8 558 131 D R H > S+ 0 0 214 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 112.0 49.6 -62.5 -42.7 16.4 80.9 98.2 559 132 D T H > S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 111.0 49.4 -60.1 -44.1 13.5 82.7 96.5 560 133 D L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.914 113.0 45.7 -63.6 -44.9 11.3 79.6 96.7 561 134 D A H X S+ 0 0 26 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.870 112.0 53.0 -67.5 -35.5 12.0 79.0 100.4 562 135 D Q H X S+ 0 0 99 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.927 108.7 48.3 -63.1 -47.6 11.4 82.7 101.1 563 136 D L H X S+ 0 0 39 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.858 111.7 52.9 -59.9 -38.6 8.0 82.7 99.3 564 137 D T H >< S+ 0 0 0 -4,-1.8 3,-0.8 2,-0.2 4,-0.4 0.941 111.6 41.4 -63.0 -53.8 7.1 79.5 101.3 565 138 D I H >< S+ 0 0 80 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.852 106.7 65.2 -68.6 -27.2 7.9 80.9 104.8 566 139 D D H 3< S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 103.0 48.0 -62.7 -26.9 6.2 84.2 103.8 567 140 D X T << S+ 0 0 56 -4,-0.9 2,-0.3 -3,-0.8 -1,-0.3 0.560 91.5 100.3 -89.8 -5.8 2.9 82.3 103.5 568 141 D X < 0 0 44 -3,-1.3 -3,-0.0 -4,-0.4 -4,-0.0 -0.600 360.0 360.0 -82.1 141.5 3.3 80.5 106.9 569 142 D G 0 0 131 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.868 360.0 360.0 56.9 360.0 1.5 82.0 109.9