==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM 25-JUL-11 3T49 . COMPND 2 MOLECULE: FIBRINOGEN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR B.L.GARCIA,B.V.GEISBRECHT,B.J.SUMMERS . 278 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 242 87.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 205 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 3 3 2 0 0 0 0 0 0 0 0 0 1 3 0 1 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 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 16 A G > 0 0 76 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 161.6 25.5 40.8 -7.2 2 17 A S H > + 0 0 26 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.879 360.0 52.4 -61.8 -39.4 22.7 39.0 -5.5 3 18 A A H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.907 113.4 42.6 -64.8 -41.0 21.0 37.5 -8.6 4 19 A E H > S+ 0 0 147 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.926 114.9 50.3 -70.5 -41.9 24.1 35.9 -10.0 5 20 A E H X S+ 0 0 93 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.917 111.8 49.0 -62.2 -41.0 25.2 34.7 -6.5 6 21 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.918 108.7 51.5 -70.6 -41.1 21.8 33.2 -6.0 7 22 A R H X S+ 0 0 114 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.911 107.0 54.7 -59.7 -41.5 21.7 31.4 -9.4 8 23 A T H < S+ 0 0 65 -4,-2.3 4,-0.5 1,-0.2 -1,-0.2 0.915 110.2 46.4 -58.1 -43.1 25.2 29.9 -8.6 9 24 A L H >< S+ 0 0 18 -4,-1.9 3,-1.4 1,-0.2 4,-0.4 0.918 110.4 52.9 -65.0 -42.5 23.7 28.5 -5.4 10 25 A L H >X S+ 0 0 6 -4,-2.5 3,-1.4 1,-0.3 4,-0.5 0.826 97.3 66.6 -61.1 -30.8 20.6 27.2 -7.2 11 26 A N T 3< S+ 0 0 111 -4,-2.1 -1,-0.3 1,-0.3 4,-0.2 0.718 105.2 43.7 -67.7 -17.6 22.8 25.4 -9.7 12 27 A K T <> S+ 0 0 89 -3,-1.4 4,-2.4 -4,-0.5 -1,-0.3 0.432 88.5 94.6 -97.6 -3.5 24.0 23.1 -6.8 13 28 A S H <> S+ 0 0 2 -3,-1.4 4,-2.3 -4,-0.4 -2,-0.1 0.867 83.1 46.8 -64.8 -40.2 20.5 22.6 -5.3 14 29 A N H X S+ 0 0 103 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.890 112.1 51.8 -69.3 -36.0 19.6 19.3 -7.1 15 30 A V H > S+ 0 0 99 2,-0.2 4,-2.3 -4,-0.2 -2,-0.2 0.939 112.0 46.1 -60.4 -49.1 23.0 17.8 -6.3 16 31 A Y H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.900 109.3 55.2 -65.0 -35.9 22.6 18.7 -2.6 17 32 A A H < S+ 0 0 9 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.889 108.4 48.9 -63.8 -38.2 19.0 17.3 -2.6 18 33 A L H >< S+ 0 0 144 -4,-2.1 3,-1.6 1,-0.2 4,-0.2 0.943 112.1 47.4 -63.5 -48.7 20.3 14.0 -3.9 19 34 A A H >< S+ 0 0 38 -4,-2.3 3,-1.9 1,-0.3 -2,-0.2 0.879 104.2 63.0 -58.4 -36.9 23.0 13.9 -1.2 20 35 A A G >< S+ 0 0 2 -4,-2.4 3,-2.0 1,-0.3 8,-0.3 0.632 80.4 81.9 -66.3 -14.1 20.4 14.8 1.3 21 36 A G G < S+ 0 0 63 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.722 85.5 60.2 -63.6 -19.4 18.6 11.5 0.6 22 37 A S G < S+ 0 0 109 -3,-1.9 -1,-0.3 -4,-0.2 2,-0.2 0.538 107.0 55.5 -79.2 -6.7 21.2 10.0 2.9 23 38 A L S < S- 0 0 40 -3,-2.0 5,-0.1 1,-0.2 41,-0.0 -0.585 103.6 -56.6-120.9 178.6 19.9 12.2 5.8 24 39 A N >> - 0 0 98 -2,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.205 56.9-109.3 -53.6 144.4 16.7 13.1 7.7 25 40 A P H 3> S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.697 109.5 80.5 -52.8 -21.3 13.9 14.4 5.4 26 41 A Y H 3> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.867 87.5 55.8 -48.7 -43.9 14.4 17.9 6.9 27 42 A Y H <> S+ 0 0 48 -3,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.961 109.7 41.1 -66.0 -51.0 17.4 18.5 4.7 28 43 A K H X S+ 0 0 100 -4,-0.5 4,-2.8 -8,-0.3 -1,-0.2 0.907 114.5 52.1 -62.4 -41.2 15.8 17.9 1.3 29 44 A R H X S+ 0 0 150 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.876 108.4 51.6 -69.0 -27.9 12.6 19.7 2.3 30 45 A T H X S+ 0 0 25 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.914 110.8 48.3 -70.0 -40.9 14.6 22.7 3.3 31 46 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.953 112.1 49.2 -60.1 -45.6 16.4 22.7 0.0 32 47 A M H X S+ 0 0 77 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.894 108.8 52.6 -66.6 -38.8 13.1 22.4 -1.9 33 48 A M H X S+ 0 0 89 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.923 112.6 45.2 -58.0 -45.7 11.5 25.2 0.0 34 49 A N H X S+ 0 0 9 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.775 105.5 59.5 -78.3 -20.5 14.4 27.5 -0.8 35 50 A E H X S+ 0 0 13 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.940 110.1 45.1 -61.5 -47.7 14.5 26.4 -4.5 36 51 A Y H X S+ 0 0 163 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.940 115.6 44.9 -60.9 -48.4 10.9 27.7 -4.6 37 52 A R H X S+ 0 0 131 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.909 115.0 48.5 -66.3 -41.5 11.7 30.9 -2.8 38 53 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.929 112.2 47.6 -63.6 -46.9 14.9 31.6 -4.8 39 54 A K H X S+ 0 0 95 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.910 114.4 46.4 -64.8 -39.5 13.3 31.0 -8.1 40 55 A A H X S+ 0 0 24 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.889 111.1 52.6 -67.4 -39.3 10.3 33.2 -7.3 41 56 A A H X>S+ 0 0 3 -4,-2.3 5,-2.3 2,-0.2 4,-0.6 0.895 109.9 48.5 -65.4 -40.9 12.6 35.9 -5.9 42 57 A L H ><5S+ 0 0 39 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.953 110.0 51.3 -61.8 -45.9 14.7 36.0 -9.1 43 58 A K H 3<5S+ 0 0 191 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.796 118.1 38.2 -64.7 -29.1 11.6 36.2 -11.3 44 59 A K H 3<5S- 0 0 149 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.420 104.7-127.1 -96.5 -4.2 10.2 39.1 -9.3 45 60 A N T <<5 + 0 0 99 -3,-1.2 2,-1.0 -4,-0.6 -3,-0.2 0.881 47.5 167.8 51.6 45.8 13.7 40.8 -8.8 46 61 A D >< - 0 0 48 -5,-2.3 4,-2.5 1,-0.2 -1,-0.2 -0.757 19.7-171.6 -94.4 100.2 12.9 40.8 -5.1 47 62 A F H > S+ 0 0 98 -2,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.824 83.3 54.8 -64.1 -33.3 16.2 41.7 -3.5 48 63 A V H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.961 113.8 40.6 -68.1 -46.8 14.9 41.0 0.1 49 64 A S H > S+ 0 0 44 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.849 112.8 56.0 -69.3 -35.1 13.8 37.5 -0.9 50 65 A M H X S+ 0 0 1 -4,-2.5 4,-2.2 -9,-0.2 -1,-0.2 0.932 109.3 46.7 -61.9 -44.5 16.9 36.9 -2.9 51 66 A A H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.912 112.2 49.7 -64.4 -41.5 19.1 37.7 0.1 52 67 A D H X S+ 0 0 67 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.902 112.3 47.5 -64.4 -42.8 17.0 35.5 2.4 53 68 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.875 109.7 53.6 -68.2 -37.3 17.2 32.6 -0.0 54 69 A K H X S+ 0 0 51 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.952 111.6 44.8 -60.5 -48.8 20.9 33.0 -0.5 55 70 A V H X S+ 0 0 85 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 114.4 49.4 -63.3 -41.9 21.5 32.9 3.3 56 71 A A H X S+ 0 0 27 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.908 112.5 46.1 -66.8 -44.1 19.2 29.9 3.7 57 72 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.933 112.6 50.0 -64.4 -46.0 20.8 27.9 0.9 58 73 A E H X S+ 0 0 97 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.925 112.5 49.8 -55.7 -42.0 24.3 28.7 2.2 59 74 A K H X S+ 0 0 112 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.936 112.9 43.5 -64.9 -49.7 23.2 27.6 5.6 60 75 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.889 112.9 52.2 -69.5 -35.3 21.6 24.2 4.5 61 76 A Y H X S+ 0 0 11 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.914 110.9 48.1 -64.3 -42.7 24.6 23.4 2.2 62 77 A K H X S+ 0 0 133 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.910 111.3 50.8 -62.9 -43.5 27.0 24.0 5.1 63 78 A E H X S+ 0 0 57 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.917 112.5 46.0 -59.4 -44.5 24.9 21.8 7.4 64 79 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.938 112.6 49.9 -66.8 -45.7 24.8 19.0 4.9 65 80 A D H X S+ 0 0 63 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.917 110.7 50.4 -57.2 -43.9 28.6 19.2 4.2 66 81 A E H X S+ 0 0 68 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.902 112.2 45.7 -69.5 -35.3 29.4 19.2 7.9 67 82 A I H < S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.946 117.6 43.5 -68.6 -45.9 27.2 16.1 8.6 68 83 A I H < S+ 0 0 86 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.850 119.4 42.1 -71.4 -31.7 28.6 14.2 5.6 69 84 A N H < 0 0 125 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.698 360.0 360.0 -87.5 -19.5 32.3 15.2 6.2 70 85 A R < 0 0 240 -4,-1.4 -4,-0.0 -5,-0.2 -3,-0.0 -0.269 360.0 360.0-113.3 360.0 32.5 14.8 10.0 71 !* 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 72 16 B G > 0 0 87 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 39.3 22.9 39.0 24.5 73 17 B S H > + 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.836 360.0 56.6 -61.5 -38.7 20.3 36.8 26.1 74 18 B A H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.943 110.8 43.0 -65.0 -44.5 18.7 35.7 22.8 75 19 B E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 114.8 50.4 -65.8 -41.4 21.9 34.4 21.3 76 20 B E H X S+ 0 0 91 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.909 111.8 48.5 -62.7 -41.0 22.8 32.7 24.6 77 21 B L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.898 108.3 52.5 -70.4 -39.9 19.4 31.1 24.8 78 22 B R H X S+ 0 0 109 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.925 109.2 51.6 -58.6 -41.8 19.5 29.8 21.2 79 23 B T H < S+ 0 0 69 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.918 111.1 46.9 -61.3 -45.4 22.9 28.2 22.0 80 24 B L H >< S+ 0 0 17 -4,-2.2 3,-1.5 1,-0.2 4,-0.4 0.919 109.9 53.6 -62.7 -42.3 21.4 26.5 25.0 81 25 B L H >X S+ 0 0 18 -4,-2.9 3,-1.5 1,-0.3 4,-0.5 0.844 96.8 66.2 -60.6 -32.1 18.4 25.4 23.1 82 26 B N T 3< S+ 0 0 135 -4,-2.0 -1,-0.3 1,-0.3 4,-0.2 0.703 106.9 42.4 -64.7 -16.9 20.7 23.8 20.5 83 27 B K T <> S+ 0 0 102 -3,-1.5 4,-2.4 -4,-0.5 -1,-0.3 0.438 89.6 93.8-101.9 -3.4 21.8 21.3 23.2 84 28 B S H <> S+ 0 0 0 -3,-1.5 4,-2.3 -4,-0.4 -2,-0.1 0.853 83.5 47.7 -66.1 -38.9 18.3 20.7 24.7 85 29 B N H X S+ 0 0 95 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.906 112.3 50.3 -72.3 -36.4 17.4 17.6 22.7 86 30 B V H > S+ 0 0 97 2,-0.2 4,-2.4 -4,-0.2 -2,-0.2 0.941 112.7 47.0 -60.6 -48.2 20.7 16.0 23.4 87 31 B Y H X S+ 0 0 39 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.888 108.7 54.8 -63.5 -36.0 20.3 16.7 27.1 88 32 B A H X S+ 0 0 8 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.885 108.4 49.1 -63.5 -40.3 16.7 15.4 27.1 89 33 B L H >< S+ 0 0 140 -4,-2.1 3,-1.4 2,-0.2 4,-0.3 0.954 112.9 46.5 -62.7 -48.6 18.0 12.1 25.6 90 34 B A H >< S+ 0 0 37 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.900 104.9 61.8 -59.2 -38.7 20.7 11.8 28.3 91 35 B A H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.3 8,-0.4 0.702 83.0 80.3 -64.2 -16.6 18.2 12.7 31.0 92 36 B G T << S+ 0 0 59 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.730 84.7 62.6 -60.3 -21.0 16.3 9.5 30.0 93 37 B S T < S+ 0 0 104 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.574 104.9 54.6 -75.4 -12.3 18.9 7.7 32.1 94 38 B L S < S- 0 0 38 -3,-2.2 5,-0.1 1,-0.2 41,-0.0 -0.522 106.5 -53.6-117.1-178.0 17.7 9.6 35.3 95 39 B N >> - 0 0 102 -2,-0.2 3,-1.9 1,-0.1 4,-0.5 -0.255 59.1-110.7 -55.3 141.9 14.6 10.2 37.3 96 40 B P H 3> S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.693 109.3 80.0 -53.6 -20.3 11.8 11.6 35.0 97 41 B Y H 3> S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 88.9 55.4 -48.5 -43.0 12.1 15.0 36.7 98 42 B Y H <> S+ 0 0 53 -3,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.960 109.7 41.3 -65.2 -50.6 15.2 15.8 34.6 99 43 B K H X S+ 0 0 98 -4,-0.5 4,-2.6 -8,-0.4 -1,-0.2 0.917 114.7 52.1 -65.1 -39.6 13.7 15.3 31.2 100 44 B R H X S+ 0 0 145 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.861 107.1 53.2 -68.5 -28.3 10.4 17.0 32.1 101 45 B T H X S+ 0 0 26 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.921 111.4 46.5 -68.5 -41.5 12.4 20.1 33.4 102 46 B I H X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.935 111.4 51.3 -63.5 -44.1 14.2 20.3 30.1 103 47 B M H X S+ 0 0 78 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.892 108.9 51.3 -65.0 -38.0 10.9 19.9 28.1 104 48 B M H X S+ 0 0 91 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.927 112.3 46.1 -60.9 -44.1 9.2 22.7 30.1 105 49 B N H X S+ 0 0 9 -4,-2.0 4,-2.7 1,-0.2 5,-0.2 0.810 105.9 58.9 -78.1 -22.3 12.1 25.0 29.4 106 50 B E H X S+ 0 0 13 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.951 109.8 45.4 -58.7 -48.2 12.3 24.2 25.8 107 51 B Y H X S+ 0 0 171 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.953 116.1 44.5 -61.7 -49.4 8.7 25.3 25.5 108 52 B R H X S+ 0 0 118 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.909 114.7 48.4 -65.0 -42.3 9.3 28.5 27.5 109 53 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.927 112.1 48.0 -64.9 -44.3 12.5 29.4 25.7 110 54 B K H X S+ 0 0 112 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.913 114.0 46.9 -66.5 -40.0 11.1 28.9 22.3 111 55 B A H X S+ 0 0 22 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.909 111.5 51.9 -65.9 -40.0 8.0 31.0 23.1 112 56 B A H X>S+ 0 0 1 -4,-2.4 5,-2.3 -5,-0.2 4,-0.7 0.895 109.8 48.4 -67.0 -40.4 10.2 33.7 24.7 113 57 B L H ><5S+ 0 0 35 -4,-2.5 3,-0.9 3,-0.2 -1,-0.2 0.936 111.8 49.1 -63.1 -44.7 12.4 34.0 21.6 114 58 B K H 3<5S+ 0 0 157 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 119.7 38.5 -63.1 -35.7 9.3 34.1 19.3 115 59 B K H 3<5S- 0 0 139 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.437 104.5-125.5 -93.2 -2.4 7.8 36.9 21.4 116 60 B N T <<5 + 0 0 40 -3,-0.9 2,-1.2 -4,-0.7 -3,-0.2 0.894 49.7 164.3 48.9 46.1 11.0 38.7 22.3 117 61 B D >< - 0 0 62 -5,-2.3 4,-2.3 1,-0.2 -1,-0.2 -0.753 14.9-178.9 -94.2 91.7 10.0 38.3 25.9 118 62 B F H > S+ 0 0 95 -2,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.769 77.2 58.6 -67.7 -27.6 13.3 39.1 27.5 119 63 B V H > S+ 0 0 7 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.952 111.5 40.8 -66.9 -47.6 12.0 38.5 31.0 120 64 B S H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.858 111.0 58.5 -69.6 -32.6 11.1 34.9 30.2 121 65 B M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.927 105.7 49.8 -58.7 -42.8 14.3 34.5 28.2 122 66 B A H X S+ 0 0 29 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.921 111.5 47.9 -64.9 -42.0 16.3 35.3 31.3 123 67 B D H X S+ 0 0 78 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.924 114.5 46.1 -65.6 -42.2 14.3 32.8 33.4 124 68 B A H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.872 109.7 54.0 -69.8 -38.0 14.7 30.1 30.7 125 69 B K H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.962 112.0 43.9 -61.0 -49.1 18.4 30.7 30.2 126 70 B V H X S+ 0 0 89 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.920 114.2 51.0 -64.1 -39.6 19.1 30.3 34.0 127 71 B A H X S+ 0 0 27 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.908 112.6 44.7 -68.2 -42.3 16.9 27.2 34.2 128 72 B L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.935 112.5 50.9 -69.1 -43.5 18.6 25.5 31.3 129 73 B E H X S+ 0 0 82 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.933 113.6 47.3 -57.2 -43.7 22.1 26.3 32.5 130 74 B K H X S+ 0 0 114 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.940 113.1 45.2 -64.8 -50.1 21.2 24.9 35.9 131 75 B I H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.893 112.4 52.2 -67.7 -34.2 19.6 21.7 34.7 132 76 B Y H X S+ 0 0 11 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.926 111.6 46.9 -64.5 -43.2 22.4 21.0 32.2 133 77 B K H X S+ 0 0 136 -4,-2.0 4,-2.7 -5,-0.3 -2,-0.2 0.934 112.4 50.0 -65.2 -41.8 25.0 21.5 35.0 134 78 B E H X S+ 0 0 46 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.918 112.2 47.3 -62.0 -44.9 23.0 19.2 37.4 135 79 B I H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.927 111.4 50.3 -62.7 -44.5 22.7 16.5 34.8 136 80 B D H X S+ 0 0 64 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 110.8 50.3 -59.5 -45.9 26.5 16.7 34.0 137 81 B E H < S+ 0 0 110 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.901 113.9 44.7 -61.7 -41.4 27.3 16.5 37.7 138 82 B I H >< S+ 0 0 34 -4,-2.2 3,-1.3 2,-0.2 -2,-0.2 0.954 115.9 44.6 -66.1 -50.4 25.1 13.4 38.1 139 83 B I H 3< S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.811 117.5 46.2 -68.5 -25.1 26.2 11.6 35.0 140 84 B N T 3< 0 0 121 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.369 360.0 360.0 -93.5 2.9 29.9 12.4 35.8 141 85 B R < 0 0 256 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.757 360.0 360.0 -69.4 360.0 29.8 11.4 39.5 142 !* 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 0.0 143 17 C S > 0 0 92 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -35.0 -0.7 62.0 2.7 144 18 C A H > + 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 360.0 52.1 -67.6 -41.7 -0.4 59.3 0.1 145 19 C E H > S+ 0 0 119 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.866 104.6 55.6 -66.0 -34.9 2.8 60.7 -1.2 146 20 C E H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 111.6 44.9 -59.3 -44.7 4.4 60.8 2.3 147 21 C L H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.906 110.3 53.1 -68.6 -43.1 3.7 57.1 2.6 148 22 C R H X S+ 0 0 102 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.896 106.4 54.6 -59.0 -38.3 4.9 56.3 -0.9 149 23 C T H < S+ 0 0 83 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.921 110.5 45.2 -60.8 -44.6 8.2 58.1 0.0 150 24 C L H >< S+ 0 0 13 -4,-1.7 3,-1.6 1,-0.2 4,-0.4 0.906 110.1 54.8 -64.9 -39.6 8.6 55.9 3.0 151 25 C L H >X S+ 0 0 18 -4,-2.5 3,-1.2 1,-0.3 4,-0.5 0.828 96.3 66.4 -63.6 -30.2 7.7 52.8 0.9 152 26 C N T 3< S+ 0 0 138 -4,-1.8 -1,-0.3 1,-0.3 4,-0.2 0.683 106.9 41.5 -64.8 -19.5 10.5 53.7 -1.5 153 27 C K T <> S+ 0 0 85 -3,-1.6 4,-2.3 -4,-0.4 -1,-0.3 0.424 89.2 94.7-100.8 -5.0 13.0 53.0 1.3 154 28 C S H <> S+ 0 0 0 -3,-1.2 4,-2.5 -4,-0.4 5,-0.2 0.881 83.8 47.5 -62.4 -43.3 11.3 49.8 2.7 155 29 C N H X S+ 0 0 78 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.900 111.7 51.7 -69.0 -38.2 13.3 47.3 0.7 156 30 C V H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.936 112.1 46.1 -59.6 -48.4 16.6 49.0 1.6 157 31 C Y H X S+ 0 0 31 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.884 110.6 53.1 -64.8 -37.2 15.7 49.0 5.3 158 32 C A H < S+ 0 0 1 -4,-2.5 4,-0.3 2,-0.2 -2,-0.2 0.896 109.4 49.4 -64.0 -39.2 14.6 45.3 5.1 159 33 C L H >< S+ 0 0 73 -4,-2.3 3,-1.7 1,-0.2 4,-0.2 0.944 111.6 48.1 -62.5 -48.3 18.0 44.4 3.6 160 34 C A H >< S+ 0 0 45 -4,-2.3 3,-1.0 1,-0.3 -1,-0.2 0.839 106.8 58.5 -61.0 -32.3 19.8 46.3 6.3 161 35 C A G >< S+ 0 0 1 -4,-1.9 3,-1.2 1,-0.2 8,-0.4 0.519 77.9 93.2 -75.8 -6.5 17.6 44.5 8.9 162 36 C G G < S+ 0 0 45 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.1 0.744 85.2 51.1 -58.7 -25.6 18.8 41.1 7.7 163 37 C S G < S+ 0 0 98 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.684 104.3 75.0 -79.2 -22.1 21.6 41.2 10.3 164 38 C L S < S- 0 0 36 -3,-1.2 5,-0.1 -4,-0.2 -3,-0.0 -0.264 101.3 -63.6 -94.4 173.3 19.1 42.0 13.1 165 39 C N >> - 0 0 46 1,-0.2 3,-1.9 2,-0.1 4,-0.5 -0.227 55.9-110.9 -50.7 140.8 16.5 40.1 15.1 166 40 C P H 3> S+ 0 0 84 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.724 108.8 81.0 -55.8 -18.5 13.8 38.9 12.7 167 41 C Y H 3> S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.858 88.7 54.2 -49.2 -43.9 11.3 41.4 14.3 168 42 C Y H <> S+ 0 0 51 -3,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.973 112.8 37.5 -64.4 -56.1 12.8 44.2 12.3 169 43 C K H X S+ 0 0 42 -4,-0.5 4,-2.7 -8,-0.4 5,-0.2 0.905 116.3 55.2 -62.1 -41.1 12.4 42.8 8.8 170 44 C R H X S+ 0 0 125 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.914 109.0 47.1 -57.8 -43.5 9.0 41.2 9.8 171 45 C T H X S+ 0 0 18 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.890 112.3 49.5 -68.7 -42.1 7.7 44.6 10.9 172 46 C I H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.950 112.9 46.4 -60.4 -47.6 8.8 46.3 7.8 173 47 C M H X S+ 0 0 61 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.908 110.7 52.5 -70.3 -34.7 7.3 43.7 5.5 174 48 C M H X S+ 0 0 77 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.933 112.2 46.0 -62.7 -42.8 4.0 43.7 7.4 175 49 C N H X S+ 0 0 6 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.846 108.4 55.7 -73.6 -28.4 3.8 47.4 7.0 176 50 C E H X S+ 0 0 28 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.932 110.7 45.8 -60.7 -46.3 4.7 47.3 3.3 177 51 C Y H X S+ 0 0 178 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.923 115.5 45.8 -61.9 -48.9 1.8 45.0 2.8 178 52 C R H X S+ 0 0 132 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.894 113.3 50.0 -60.9 -44.1 -0.6 47.1 4.8 179 53 C A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.908 110.5 48.1 -66.1 -42.2 0.6 50.3 3.2 180 54 C K H X S+ 0 0 128 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.911 113.5 47.9 -67.5 -40.1 0.2 49.0 -0.4 181 55 C A H X S+ 0 0 33 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.921 112.2 49.6 -64.9 -44.0 -3.3 47.7 0.4 182 56 C A H X>S+ 0 0 2 -4,-2.5 5,-2.3 1,-0.2 4,-0.8 0.875 108.4 52.7 -64.0 -40.4 -4.3 50.9 2.1 183 57 C L H ><5S+ 0 0 16 -4,-2.3 3,-0.7 2,-0.2 -1,-0.2 0.919 111.0 47.0 -61.1 -43.1 -3.1 53.0 -0.9 184 58 C K H 3<5S+ 0 0 180 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.896 117.8 42.8 -66.9 -36.3 -5.2 50.9 -3.3 185 59 C K H 3<5S- 0 0 156 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.427 105.1-123.4 -90.9 -0.1 -8.2 51.1 -1.1 186 60 C N T <<5 + 0 0 116 -4,-0.8 2,-1.3 -3,-0.7 -3,-0.2 0.829 55.0 158.1 52.2 37.9 -7.9 54.8 -0.2 187 61 C D >< + 0 0 64 -5,-2.3 4,-2.2 1,-0.2 -1,-0.2 -0.696 13.5 175.9 -91.7 86.6 -7.9 53.7 3.5 188 62 C F H > S+ 0 0 107 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.792 73.4 57.5 -72.2 -26.0 -6.2 56.8 4.9 189 63 C V H > S+ 0 0 104 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 111.0 43.5 -69.0 -45.0 -6.4 55.7 8.5 190 64 C S H > S+ 0 0 42 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.875 111.0 56.7 -66.0 -35.1 -4.5 52.6 7.7 191 65 C M H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.935 108.3 46.5 -56.2 -49.6 -2.1 54.6 5.5 192 66 C A H X S+ 0 0 41 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.888 109.8 53.5 -66.0 -38.3 -1.3 56.9 8.5 193 67 C D H X S+ 0 0 101 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.932 111.9 45.2 -60.3 -46.5 -0.8 53.8 10.8 194 68 C A H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.890 110.6 54.4 -66.0 -37.4 1.7 52.4 8.3 195 69 C K H X S+ 0 0 42 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.945 111.0 45.0 -59.9 -50.5 3.4 55.7 7.9 196 70 C V H X S+ 0 0 83 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.920 114.2 49.0 -61.5 -44.7 3.9 56.0 11.7 197 71 C A H X S+ 0 0 22 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.888 112.9 46.7 -64.9 -42.8 5.1 52.5 12.0 198 72 C L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.919 111.2 50.9 -66.7 -43.9 7.6 52.8 9.2 199 73 C E H X S+ 0 0 98 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.931 113.0 47.5 -57.1 -44.8 9.0 56.1 10.4 200 74 C K H X S+ 0 0 107 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.932 113.8 45.2 -62.3 -48.2 9.5 54.5 13.9 201 75 C I H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.872 110.7 53.4 -69.8 -37.5 11.1 51.3 12.7 202 76 C Y H X S+ 0 0 5 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.921 111.1 46.9 -62.9 -41.3 13.4 53.2 10.3 203 77 C K H X S+ 0 0 134 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.943 112.5 49.8 -66.0 -44.4 14.6 55.4 13.1 204 78 C E H X S+ 0 0 60 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.919 112.7 46.6 -59.8 -44.7 15.1 52.4 15.4 205 79 C I H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.935 110.2 52.7 -66.6 -43.1 17.1 50.5 12.7 206 80 C D H X S+ 0 0 66 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.945 112.1 47.4 -53.4 -48.9 19.3 53.6 12.0 207 81 C E H X S+ 0 0 110 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.892 112.2 48.0 -62.6 -43.0 20.0 53.9 15.7 208 82 C I H < S+ 0 0 63 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.929 118.3 40.1 -63.5 -45.7 20.9 50.2 16.1 209 83 C I H < S+ 0 0 85 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.899 120.0 43.9 -73.3 -38.8 23.2 50.1 13.1 210 84 C N H < 0 0 116 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.808 360.0 360.0 -77.9 -32.8 24.8 53.5 13.7 211 85 C R < 0 0 289 -4,-2.2 -1,-0.1 -5,-0.3 -2,-0.1 -0.107 360.0 360.0 50.1 360.0 25.4 53.2 17.4 212 !* 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 0.0 213 17 D S > 0 0 112 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -38.5 -4.0 59.4 33.0 214 18 D A H > + 0 0 22 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 360.0 50.6 -64.9 -42.1 -3.8 56.7 30.4 215 19 D E H > S+ 0 0 124 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.875 106.5 53.9 -67.8 -34.4 -0.6 58.1 29.0 216 20 D E H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 111.2 46.5 -63.6 -42.6 1.1 58.2 32.4 217 21 D L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.905 110.0 52.5 -68.4 -41.9 0.3 54.6 32.9 218 22 D R H X S+ 0 0 101 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.902 107.2 53.6 -59.8 -38.4 1.5 53.7 29.4 219 23 D T H < S+ 0 0 83 -4,-2.2 4,-0.4 1,-0.2 -2,-0.2 0.930 110.3 46.6 -62.9 -45.2 4.8 55.5 30.1 220 24 D L H >< S+ 0 0 8 -4,-2.0 3,-1.5 1,-0.2 4,-0.5 0.917 110.2 53.7 -61.2 -42.8 5.2 53.4 33.3 221 25 D L H >X S+ 0 0 18 -4,-2.6 3,-1.1 1,-0.3 4,-0.5 0.826 97.8 64.7 -62.0 -31.3 4.4 50.2 31.3 222 26 D N T 3< S+ 0 0 141 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.676 107.8 41.8 -68.4 -15.1 7.1 51.0 28.8 223 27 D K T <> S+ 0 0 86 -3,-1.5 4,-2.3 -4,-0.4 -1,-0.3 0.453 89.3 94.3-102.8 -1.7 9.7 50.6 31.7 224 28 D S H <> S+ 0 0 2 -3,-1.1 4,-2.4 -4,-0.5 5,-0.2 0.867 83.8 47.3 -65.9 -41.4 8.1 47.5 33.2 225 29 D N H X S+ 0 0 81 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.894 111.5 52.5 -67.9 -39.0 10.2 44.8 31.4 226 30 D V H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.941 112.2 45.0 -58.3 -48.3 13.4 46.8 32.2 227 31 D Y H X S+ 0 0 32 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.874 110.2 54.9 -65.5 -34.9 12.5 46.9 35.9 228 32 D A H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.892 109.6 47.7 -67.1 -37.4 11.5 43.2 35.9 229 33 D L H >< S+ 0 0 75 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.943 111.5 49.1 -65.5 -45.9 14.9 42.3 34.5 230 34 D A H >< S+ 0 0 49 -4,-2.3 3,-0.8 1,-0.3 -2,-0.2 0.823 105.1 60.1 -63.4 -30.1 16.7 44.5 37.0 231 35 D A G >< S+ 0 0 2 -4,-1.9 3,-1.5 1,-0.2 8,-0.4 0.468 75.7 103.1 -78.2 -0.6 14.7 42.8 39.8 232 36 D G G < S+ 0 0 55 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.736 81.3 43.1 -55.2 -31.0 16.1 39.4 38.8 233 37 D S G < S+ 0 0 110 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.1 0.482 104.2 83.2 -96.2 0.1 18.6 39.2 41.7 234 38 D L S < S- 0 0 31 -3,-1.5 5,-0.1 1,-0.2 41,-0.0 -0.393 102.9 -59.2 -92.1 172.3 16.1 40.5 44.3 235 39 D N > - 0 0 98 1,-0.2 3,-2.3 -2,-0.1 4,-0.5 -0.252 55.6-117.7 -42.5 128.2 13.4 38.6 46.2 236 40 D P T 3> S+ 0 0 82 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.727 107.6 82.4 -48.2 -22.5 11.1 37.2 43.5 237 41 D Y H 3> S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.841 85.2 55.6 -46.9 -40.4 8.4 39.5 45.1 238 42 D Y H <> S+ 0 0 46 -3,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.973 111.4 39.5 -68.3 -52.6 9.7 42.4 43.1 239 43 D K H > S+ 0 0 45 -4,-0.5 4,-2.6 -8,-0.4 5,-0.2 0.917 116.1 52.5 -60.8 -41.3 9.4 40.9 39.6 240 44 D R H X S+ 0 0 145 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.896 107.8 51.0 -63.9 -39.1 6.1 39.2 40.5 241 45 D T H X S+ 0 0 20 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.914 111.6 48.6 -64.7 -40.6 4.6 42.6 41.7 242 46 D I H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.962 112.6 47.3 -63.1 -49.1 5.7 44.2 38.4 243 47 D M H X S+ 0 0 64 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.893 110.7 51.6 -61.6 -42.4 4.2 41.4 36.3 244 48 D M H X S+ 0 0 82 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.929 112.6 45.5 -62.2 -43.1 0.9 41.4 38.2 245 49 D N H X S+ 0 0 5 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.845 108.3 56.6 -73.8 -27.0 0.5 45.1 37.8 246 50 D E H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.934 110.2 46.4 -61.9 -45.0 1.5 44.9 34.1 247 51 D Y H X S+ 0 0 179 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.950 115.2 45.0 -64.7 -47.6 -1.4 42.5 33.6 248 52 D R H X S+ 0 0 127 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.900 113.8 50.7 -61.2 -41.6 -3.9 44.6 35.6 249 53 D A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.911 109.9 47.7 -67.9 -44.4 -2.8 47.8 33.8 250 54 D K H X S+ 0 0 120 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.900 113.3 48.7 -65.3 -38.1 -3.1 46.4 30.3 251 55 D A H X S+ 0 0 31 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.936 112.5 48.3 -64.6 -45.8 -6.6 45.0 31.2 252 56 D A H X>S+ 0 0 3 -4,-2.5 5,-2.3 1,-0.2 4,-0.8 0.883 108.3 54.0 -63.1 -39.8 -7.7 48.3 32.7 253 57 D L H ><5S+ 0 0 21 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.906 110.2 47.3 -60.0 -42.5 -6.4 50.3 29.7 254 58 D K H 3<5S+ 0 0 178 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.860 117.1 43.1 -69.5 -33.9 -8.5 48.1 27.3 255 59 D K H 3<5S- 0 0 155 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.452 105.5-123.3 -90.8 -2.4 -11.6 48.4 29.5 256 60 D N T <<5 + 0 0 113 -4,-0.8 2,-1.4 -3,-0.6 -3,-0.2 0.836 55.0 158.0 54.8 36.6 -11.3 52.1 30.2 257 61 D D >< + 0 0 63 -5,-2.3 4,-2.3 1,-0.2 -1,-0.2 -0.702 14.1 176.4 -93.1 85.4 -11.3 51.2 33.9 258 62 D F H > S+ 0 0 101 -2,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.772 73.9 57.3 -69.7 -27.1 -9.6 54.4 35.2 259 63 D V H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.952 111.7 43.1 -66.8 -46.0 -9.9 53.4 38.9 260 64 D S H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.882 111.4 56.0 -67.6 -33.5 -7.9 50.2 38.2 261 65 D M H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.927 107.8 48.0 -60.4 -43.0 -5.5 52.1 36.0 262 66 D A H X S+ 0 0 43 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.900 109.0 53.7 -69.2 -38.1 -4.8 54.5 38.9 263 67 D D H X S+ 0 0 105 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.919 112.3 44.1 -58.5 -46.0 -4.2 51.6 41.3 264 68 D A H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.880 110.6 55.5 -69.8 -37.4 -1.7 50.0 38.9 265 69 D K H X S+ 0 0 65 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.943 110.6 44.2 -58.5 -50.6 -0.0 53.4 38.3 266 70 D V H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.919 113.5 50.8 -63.9 -42.3 0.6 53.9 42.0 267 71 D A H X S+ 0 0 28 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.910 113.2 45.4 -64.1 -43.0 1.8 50.3 42.5 268 72 D L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.923 111.3 51.9 -66.6 -44.1 4.3 50.6 39.6 269 73 D E H X S+ 0 0 73 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.929 112.7 47.0 -57.4 -44.4 5.5 54.0 40.8 270 74 D K H X S+ 0 0 126 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.919 113.5 45.3 -64.4 -46.7 6.1 52.6 44.2 271 75 D I H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.879 111.8 52.4 -71.6 -33.7 7.9 49.4 43.2 272 76 D Y H X S+ 0 0 7 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.921 109.6 49.8 -63.6 -40.4 10.1 51.2 40.6 273 77 D K H X S+ 0 0 163 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.927 112.8 47.2 -65.2 -43.8 11.2 53.7 43.3 274 78 D E H X S+ 0 0 70 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.900 111.6 49.6 -62.7 -43.6 12.0 50.8 45.7 275 79 D I H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.942 110.9 49.7 -65.9 -41.2 13.9 48.9 43.0 276 80 D D H X S+ 0 0 68 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.947 113.4 47.6 -56.3 -50.6 16.0 52.0 42.2 277 81 D E H X S+ 0 0 101 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.933 114.2 45.1 -58.2 -50.0 16.7 52.5 45.9 278 82 D I H < S+ 0 0 66 -4,-2.9 3,-0.2 1,-0.2 -1,-0.2 0.929 117.8 42.6 -62.9 -46.3 17.7 48.9 46.5 279 83 D I H < S+ 0 0 81 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.856 111.7 54.7 -69.5 -33.6 19.9 48.6 43.4 280 84 D N H < 0 0 123 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.769 360.0 360.0 -74.4 -27.8 21.5 52.0 43.8 281 85 D R < 0 0 246 -4,-1.4 -3,-0.0 -3,-0.2 -4,-0.0 -0.032 360.0 360.0-105.5 360.0 22.7 51.4 47.4