==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 25-APR-06 2GS4 . COMPND 2 MOLECULE: PROTEIN YCIF; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.HINDUPUR,D.LIU,Y.ZHAO,H.D.BELLAMY,M.A.WHITE,R.O.FOX . 313 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 271 86.6 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 . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 76.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 3 0 1 1 3 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 3 A X 0 0 170 0, 0.0 3,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 45.8 37.1 29.7 80.1 2 4 A K + 0 0 133 1,-0.3 2,-0.2 280,-0.0 3,-0.0 0.441 360.0 56.0-150.5 -26.5 40.6 29.7 81.8 3 5 A T S > S- 0 0 54 1,-0.1 4,-2.0 279,-0.0 -1,-0.3 -0.719 83.0-113.2-113.2 165.1 42.8 32.4 80.2 4 6 A I H > S+ 0 0 19 -2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.864 120.7 59.8 -59.5 -35.0 42.4 36.1 79.8 5 7 A E H > S+ 0 0 32 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.898 102.6 48.5 -60.5 -46.3 42.2 35.2 76.2 6 8 A D H > S+ 0 0 55 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.911 112.6 49.4 -63.2 -41.8 39.2 33.0 76.6 7 9 A V H X S+ 0 0 6 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.926 112.2 49.0 -62.1 -44.8 37.4 35.7 78.6 8 10 A F H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.933 112.1 46.2 -61.6 -47.7 38.3 38.2 75.9 9 11 A I H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 60,-0.4 0.917 113.1 51.6 -63.0 -40.4 37.0 36.0 73.1 10 12 A H H X S+ 0 0 50 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.955 113.2 43.2 -59.1 -53.3 33.8 35.3 75.1 11 13 A L H X S+ 0 0 34 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.844 114.0 50.8 -63.3 -35.7 33.1 38.9 75.8 12 14 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.898 110.6 49.3 -68.4 -40.4 33.9 40.0 72.2 13 15 A S H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 58,-0.2 0.843 111.0 50.2 -66.2 -35.3 31.6 37.3 70.8 14 16 A D H X S+ 0 0 25 -4,-1.9 4,-2.6 2,-0.2 59,-0.2 0.931 110.8 48.9 -69.0 -44.6 28.8 38.4 73.2 15 17 A T H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.886 106.5 56.2 -63.3 -36.6 29.3 42.0 72.0 16 18 A Y H X S+ 0 0 53 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.952 110.0 46.3 -58.6 -47.4 29.2 40.8 68.4 17 19 A S H X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.918 110.3 53.5 -60.5 -43.8 25.8 39.3 69.2 18 20 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.895 109.9 46.2 -58.6 -44.7 24.7 42.5 71.0 19 21 A E H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.891 110.5 54.7 -65.0 -39.6 25.5 44.7 68.0 20 22 A K H X S+ 0 0 85 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.936 113.1 41.2 -58.2 -50.7 23.7 42.2 65.7 21 23 A Q H X S+ 0 0 11 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.896 109.4 60.5 -66.5 -39.6 20.6 42.5 67.8 22 24 A L H X S+ 0 0 2 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.891 95.1 63.0 -58.1 -37.9 21.0 46.2 68.1 23 25 A T H X S+ 0 0 21 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.911 108.0 41.1 -52.4 -49.1 20.8 46.7 64.3 24 26 A R H X S+ 0 0 140 -4,-0.9 4,-1.7 -3,-0.4 3,-0.4 0.953 115.0 52.1 -63.8 -49.6 17.2 45.3 64.2 25 27 A A H X S+ 0 0 12 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.874 106.4 52.6 -55.9 -42.2 16.2 47.2 67.4 26 28 A L H X S+ 0 0 5 -4,-3.0 4,-2.5 2,-0.2 -1,-0.2 0.852 105.8 53.1 -66.5 -34.4 17.5 50.6 66.1 27 29 A A H X S+ 0 0 34 -4,-1.3 4,-1.0 -3,-0.4 -1,-0.2 0.903 112.4 46.3 -66.8 -38.7 15.5 50.4 62.9 28 30 A K H >X S+ 0 0 127 -4,-1.7 4,-0.7 2,-0.2 3,-0.6 0.927 111.6 51.2 -68.2 -44.3 12.4 49.7 65.0 29 31 A L H >< S+ 0 0 9 -4,-2.8 3,-1.2 1,-0.2 4,-0.4 0.907 104.0 57.1 -60.4 -41.0 13.2 52.6 67.4 30 32 A A H 3< S+ 0 0 10 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.841 111.9 43.0 -59.2 -31.7 13.7 55.0 64.5 31 33 A R H << S+ 0 0 220 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.477 99.2 75.6 -90.3 -5.1 10.1 54.2 63.4 32 34 A A S << S+ 0 0 12 -3,-1.2 2,-0.4 -4,-0.7 -1,-0.2 0.514 91.7 57.9 -86.0 -2.8 8.7 54.3 67.0 33 35 A T - 0 0 16 -3,-0.5 6,-0.1 -4,-0.4 59,-0.0 -0.967 57.8-154.0-134.9 146.2 8.8 58.1 67.3 34 36 A S S S+ 0 0 111 -2,-0.4 2,-1.1 4,-0.0 3,-0.1 0.431 72.2 105.1 -90.5 -1.2 7.3 61.2 65.6 35 37 A N > - 0 0 28 1,-0.2 4,-3.0 58,-0.1 3,-0.4 -0.730 60.0-160.9 -82.9 102.8 10.2 63.3 66.8 36 38 A E H > S+ 0 0 131 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.847 87.8 53.0 -53.2 -41.9 12.2 63.6 63.6 37 39 A K H > S+ 0 0 139 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.872 113.4 43.4 -65.3 -36.5 15.4 64.6 65.4 38 40 A L H > S+ 0 0 0 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.925 111.1 54.5 -73.3 -44.8 15.2 61.5 67.7 39 41 A S H X S+ 0 0 30 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.908 109.5 48.9 -53.2 -44.8 14.2 59.3 64.7 40 42 A Q H X S+ 0 0 93 -4,-2.4 4,-3.1 1,-0.2 -1,-0.2 0.846 106.3 55.2 -66.6 -35.1 17.4 60.5 62.9 41 43 A A H X S+ 0 0 24 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.884 110.3 46.5 -66.4 -36.7 19.6 59.8 65.9 42 44 A F H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.898 114.4 47.6 -70.9 -39.1 18.4 56.2 66.0 43 45 A H H X S+ 0 0 103 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.899 111.4 51.0 -67.9 -38.5 18.9 56.0 62.2 44 46 A A H X S+ 0 0 58 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.925 111.6 47.1 -64.3 -42.5 22.3 57.5 62.6 45 47 A H H X S+ 0 0 8 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.820 105.3 60.7 -69.2 -28.7 23.2 55.0 65.3 46 48 A L H X S+ 0 0 18 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.900 109.3 42.8 -62.9 -41.0 21.9 52.2 63.2 47 49 A E H X S+ 0 0 103 -4,-1.6 4,-2.0 2,-0.2 3,-0.3 0.948 113.0 50.8 -70.4 -47.7 24.5 53.0 60.5 48 50 A E H X S+ 0 0 52 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.850 108.3 55.0 -58.0 -34.9 27.3 53.5 63.0 49 51 A T H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.873 104.7 51.0 -68.3 -38.1 26.4 50.1 64.6 50 52 A H H X S+ 0 0 91 -4,-1.4 4,-1.6 -3,-0.3 -1,-0.2 0.899 111.2 51.2 -64.4 -36.4 26.7 48.3 61.2 51 53 A G H X S+ 0 0 33 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.856 106.2 53.7 -67.0 -34.9 30.1 50.1 61.0 52 54 A Q H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.821 103.6 55.6 -70.6 -30.5 31.1 48.8 64.5 53 55 A I H X S+ 0 0 8 -4,-1.7 4,-1.7 2,-0.2 3,-0.2 0.929 106.3 51.8 -67.9 -39.9 30.3 45.3 63.5 54 56 A E H X S+ 0 0 123 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.908 106.6 53.9 -60.7 -38.6 32.8 45.7 60.6 55 57 A R H X S+ 0 0 38 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.854 103.9 55.5 -64.4 -33.2 35.3 47.0 63.2 56 58 A I H X S+ 0 0 2 -4,-1.6 4,-2.4 -3,-0.2 -1,-0.2 0.867 103.8 53.8 -66.5 -36.0 34.8 43.8 65.2 57 59 A D H X S+ 0 0 46 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.904 108.7 50.9 -63.0 -37.6 35.7 41.8 62.1 58 60 A Q H X S+ 0 0 84 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.880 108.0 51.3 -64.4 -41.6 38.9 43.8 61.9 59 61 A V H < S+ 0 0 1 -4,-2.0 4,-0.4 2,-0.2 3,-0.2 0.921 110.7 48.8 -61.7 -45.2 39.6 43.1 65.6 60 62 A V H >< S+ 0 0 26 -4,-2.4 3,-1.1 1,-0.2 6,-0.3 0.914 112.0 47.9 -61.9 -44.4 39.2 39.4 65.0 61 63 A E H 3< S+ 0 0 152 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.711 97.3 73.0 -70.2 -21.5 41.5 39.5 61.9 62 64 A S T 3< S+ 0 0 30 -4,-1.4 2,-0.4 -3,-0.2 -1,-0.2 0.639 102.0 43.3 -69.1 -14.7 44.2 41.5 63.8 63 65 A E S X S- 0 0 52 -3,-1.1 3,-1.4 -4,-0.4 -1,-0.2 -0.971 74.0-142.9-138.8 123.4 45.1 38.4 65.8 64 66 A S T 3 S+ 0 0 134 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.789 100.6 50.5 -49.0 -38.9 45.5 34.8 64.4 65 67 A N T 3 S+ 0 0 82 2,-0.0 -1,-0.3 -4,-0.0 -4,-0.1 0.678 88.6 102.9 -77.9 -20.5 44.0 33.1 67.5 66 68 A L < + 0 0 14 -3,-1.4 2,-0.3 -6,-0.3 -3,-0.0 -0.303 38.9 156.3 -69.3 148.5 40.8 35.2 67.6 67 69 A K - 0 0 121 2,-0.0 2,-0.5 -2,-0.0 -54,-0.1 -0.899 41.7-112.7-155.0 172.2 37.4 34.0 66.3 68 70 A I - 0 0 37 -2,-0.3 2,-0.4 -55,-0.1 -58,-0.1 -0.989 27.9-148.2-117.3 122.9 33.8 34.8 67.1 69 71 A K - 0 0 112 -2,-0.5 2,-0.2 -60,-0.4 -2,-0.0 -0.762 24.8-110.0 -92.3 137.7 31.9 32.1 68.9 70 72 A R + 0 0 248 -2,-0.4 2,-0.3 -53,-0.0 -56,-0.1 -0.481 59.7 129.3 -68.3 129.1 28.2 31.8 68.1 71 73 A X - 0 0 66 -2,-0.2 2,-0.5 -58,-0.2 0, 0.0 -0.971 54.6-112.2-171.1 162.3 25.9 32.9 71.0 72 74 A K - 0 0 95 -2,-0.3 2,-1.0 -55,-0.0 3,-0.1 -0.945 28.5-133.2-109.2 123.1 23.0 35.1 71.9 73 75 A C > - 0 0 0 -2,-0.5 4,-1.8 -59,-0.2 5,-0.1 -0.668 18.6-169.0 -78.2 105.4 23.7 37.9 74.3 74 76 A V H > S+ 0 0 9 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.811 81.6 59.9 -65.4 -33.4 21.0 37.7 76.8 75 77 A A H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.960 108.3 42.5 -62.1 -52.0 21.8 41.1 78.4 76 78 A X H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.885 109.8 58.9 -62.4 -37.6 21.2 43.0 75.1 77 79 A E H X S+ 0 0 25 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.918 108.1 46.0 -56.7 -44.6 18.1 40.9 74.4 78 80 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.906 111.2 51.0 -66.4 -41.0 16.7 42.2 77.7 79 81 A L H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.843 111.3 49.1 -65.3 -32.7 17.6 45.8 77.0 80 82 A I H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.871 109.1 51.0 -75.5 -35.6 16.0 45.6 73.6 81 83 A E H X S+ 0 0 78 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.866 107.3 56.5 -68.5 -31.1 12.8 44.1 75.1 82 84 A E H X S+ 0 0 35 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.944 110.1 43.1 -62.6 -48.4 12.9 47.0 77.6 83 85 A A H >X S+ 0 0 6 -4,-1.8 4,-2.3 1,-0.2 3,-0.8 0.904 112.0 54.3 -64.2 -41.5 12.9 49.5 74.7 84 86 A N H 3X S+ 0 0 51 -4,-2.6 4,-3.2 1,-0.3 -1,-0.2 0.843 99.2 61.5 -63.1 -33.9 10.2 47.5 72.9 85 87 A E H 3< S+ 0 0 55 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.835 109.0 43.8 -61.7 -30.0 8.0 47.7 75.9 86 88 A V H X< S+ 0 0 17 -4,-0.9 3,-1.4 -3,-0.8 5,-0.3 0.931 112.9 51.2 -76.6 -47.8 8.1 51.5 75.5 87 89 A I H 3< S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.895 114.6 43.4 -53.0 -46.8 7.6 51.2 71.7 88 90 A E T 3< S+ 0 0 140 -4,-3.2 -1,-0.3 -5,-0.1 -2,-0.2 0.390 98.6 91.6 -84.7 1.6 4.6 48.9 72.1 89 91 A S S < S- 0 0 35 -3,-1.4 -3,-0.1 -5,-0.2 7,-0.0 -0.242 86.3-114.2 -85.5-179.3 3.0 50.9 74.9 90 92 A T + 0 0 139 -2,-0.1 6,-0.1 2,-0.1 -3,-0.1 0.253 69.4 133.5 -99.2 11.7 0.4 53.7 74.5 91 93 A E - 0 0 69 -5,-0.3 2,-0.3 4,-0.1 -2,-0.0 -0.287 43.5-155.4 -56.0 150.2 2.8 56.3 75.8 92 94 A K >> - 0 0 152 -59,-0.0 3,-1.6 4,-0.0 4,-1.4 -0.956 31.6 -35.7-139.8 156.7 2.7 59.2 73.5 93 95 A N H 3> S+ 0 0 76 -2,-0.3 4,-3.2 1,-0.3 5,-0.3 -0.019 126.0 9.8 33.6-114.4 4.8 62.2 72.3 94 96 A E H 3> S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.838 135.9 46.7 -61.0 -32.7 6.9 63.7 75.2 95 97 A V H <> S+ 0 0 94 -3,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.968 115.8 46.3 -68.2 -53.4 6.2 60.9 77.6 96 98 A R H X S+ 0 0 40 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.893 113.9 47.2 -53.4 -48.0 6.9 58.4 74.9 97 99 A D H X S+ 0 0 3 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.818 106.8 56.5 -68.8 -31.8 10.1 60.1 73.8 98 100 A A H X S+ 0 0 47 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.922 112.1 43.8 -64.9 -42.6 11.5 60.5 77.3 99 101 A A H X S+ 0 0 24 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.893 112.6 51.3 -69.2 -41.2 11.2 56.8 77.8 100 102 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.936 113.3 44.7 -63.2 -44.2 12.6 55.9 74.3 101 103 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.933 114.8 49.1 -64.5 -44.9 15.6 58.2 75.0 102 104 A A H X S+ 0 0 43 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.896 111.1 49.2 -62.2 -41.9 16.0 56.7 78.5 103 105 A A H X S+ 0 0 8 -4,-2.9 4,-1.7 1,-0.2 3,-0.4 0.923 111.4 50.3 -63.6 -42.3 15.8 53.2 77.2 104 106 A A H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.826 106.5 54.9 -64.5 -32.5 18.4 54.0 74.5 105 107 A Q H X S+ 0 0 53 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.786 104.8 54.2 -71.2 -27.4 20.7 55.5 77.2 106 108 A K H X S+ 0 0 52 -4,-1.3 4,-2.1 -3,-0.4 -2,-0.2 0.893 106.8 50.8 -70.5 -41.1 20.5 52.2 79.1 107 109 A V H X S+ 0 0 9 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.914 112.2 48.4 -62.1 -39.8 21.6 50.4 75.9 108 110 A E H X S+ 0 0 2 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.879 104.8 56.7 -69.8 -36.2 24.5 52.9 75.8 109 111 A H H X S+ 0 0 77 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.953 112.3 44.7 -58.0 -45.3 25.4 52.4 79.5 110 112 A Y H X S+ 0 0 30 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.929 114.1 47.3 -63.7 -48.3 25.8 48.7 78.6 111 113 A E H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.933 111.5 49.8 -62.4 -46.0 27.7 49.2 75.4 112 114 A I H X S+ 0 0 35 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.943 112.9 46.2 -57.7 -50.0 30.1 51.7 76.8 113 115 A A H X S+ 0 0 24 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.879 112.6 53.2 -60.8 -37.6 30.9 49.5 79.8 114 116 A S H X S+ 0 0 20 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.932 113.0 40.4 -63.1 -49.9 31.3 46.5 77.3 115 117 A Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.798 110.9 57.9 -72.0 -28.0 33.8 48.2 75.1 116 118 A G H X S+ 0 0 24 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.954 111.3 43.8 -64.4 -45.5 35.7 49.8 78.0 117 119 A T H X S+ 0 0 11 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.925 115.0 47.6 -63.5 -47.7 36.2 46.2 79.3 118 120 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.895 110.8 51.6 -63.3 -41.4 37.1 44.8 75.8 119 121 A A H X S+ 0 0 1 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.906 111.9 46.3 -63.0 -42.6 39.6 47.6 75.1 120 122 A T H X S+ 0 0 22 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.924 113.9 48.2 -66.9 -44.0 41.4 47.1 78.4 121 123 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 2,-0.2 6,-0.2 0.942 111.9 49.3 -61.7 -47.1 41.5 43.3 78.0 122 124 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.5 1,-0.2 3,-0.5 0.930 112.6 48.6 -57.7 -45.0 42.8 43.7 74.4 123 125 A E H ><5S+ 0 0 70 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.929 111.5 48.8 -60.2 -46.3 45.4 46.1 75.7 124 126 A Q H 3<5S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.668 108.3 54.6 -68.9 -17.6 46.5 43.8 78.5 125 127 A L T <<5S- 0 0 43 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.434 118.1-110.2 -94.8 0.2 46.7 40.9 76.1 126 128 A G T < 5S+ 0 0 60 -3,-1.3 2,-1.3 -4,-0.4 -3,-0.2 0.688 71.7 141.5 81.4 17.3 49.1 42.8 73.9 127 129 A Y >< + 0 0 21 -5,-2.5 4,-2.6 -6,-0.2 -1,-0.2 -0.671 21.7 173.3 -93.7 81.1 46.6 43.2 71.0 128 130 A R H > S+ 0 0 176 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.913 73.6 45.2 -53.4 -56.3 47.6 46.7 70.0 129 131 A K H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 113.4 52.3 -60.7 -37.9 45.5 47.1 66.9 130 132 A A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.958 107.6 50.7 -63.9 -49.5 42.5 45.6 68.6 131 133 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.897 110.4 50.0 -54.8 -43.4 42.8 48.0 71.6 132 134 A K H X S+ 0 0 87 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.913 113.4 46.1 -62.2 -44.0 42.9 51.0 69.2 133 135 A L H X S+ 0 0 9 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.919 111.8 50.0 -65.5 -45.8 39.9 49.8 67.3 134 136 A L H X S+ 0 0 3 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.848 107.7 53.7 -64.3 -33.2 37.9 49.0 70.4 135 137 A K H X S+ 0 0 73 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.804 104.3 57.8 -71.3 -25.0 38.6 52.5 71.9 136 138 A E H X S+ 0 0 97 -4,-1.1 4,-1.7 -3,-0.3 -2,-0.2 0.921 109.8 41.9 -69.4 -42.5 37.3 53.9 68.6 137 139 A T H X S+ 0 0 2 -4,-1.7 4,-2.6 2,-0.2 5,-0.3 0.940 111.2 57.5 -68.9 -42.6 33.9 52.2 69.1 138 140 A L H X S+ 0 0 14 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.934 108.3 46.2 -50.7 -50.3 34.0 53.1 72.8 139 141 A E H X S+ 0 0 103 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.848 109.9 53.1 -64.2 -35.2 34.3 56.8 71.9 140 142 A E H X S+ 0 0 60 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.909 109.4 49.2 -66.5 -40.5 31.5 56.7 69.3 141 143 A E H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.865 109.8 51.7 -66.3 -35.6 29.2 55.1 71.8 142 144 A K H X S+ 0 0 86 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.932 112.0 46.0 -66.3 -42.9 30.1 57.9 74.3 143 145 A A H X S+ 0 0 58 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.886 111.2 52.6 -66.5 -37.0 29.4 60.5 71.7 144 146 A T H X S+ 0 0 21 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.925 109.6 49.9 -64.0 -40.2 26.1 58.7 70.8 145 147 A D H X S+ 0 0 39 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.919 108.2 51.7 -64.6 -42.5 25.2 58.8 74.5 146 148 A I H X S+ 0 0 106 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.885 108.9 51.3 -61.8 -37.6 26.0 62.6 74.8 147 149 A K H X S+ 0 0 95 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.896 107.8 52.7 -65.9 -38.8 23.7 63.2 71.8 148 150 A L H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.861 108.9 50.4 -64.1 -35.2 20.9 61.2 73.5 149 151 A T H X S+ 0 0 57 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.888 107.0 52.6 -70.0 -39.1 21.3 63.4 76.6 150 152 A D H X S+ 0 0 65 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.894 111.5 49.0 -61.8 -37.9 21.1 66.6 74.5 151 153 A L H X S+ 0 0 15 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.889 107.7 52.3 -69.8 -38.9 17.9 65.1 73.1 152 154 A A H X S+ 0 0 23 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.938 109.6 50.5 -62.4 -43.7 16.5 64.2 76.6 153 155 A I H X S+ 0 0 87 -4,-2.6 4,-2.0 1,-0.2 3,-0.2 0.956 110.7 49.1 -57.9 -49.7 17.2 67.8 77.6 154 156 A N H X S+ 0 0 92 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.900 110.6 49.9 -57.0 -43.3 15.3 69.1 74.5 155 157 A N H < S+ 0 0 11 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.846 109.2 52.4 -65.1 -33.2 12.4 66.8 75.2 156 158 A V H < S+ 0 0 112 -4,-2.2 -1,-0.2 -3,-0.2 -2,-0.2 0.863 115.8 40.2 -69.5 -34.9 12.2 68.0 78.8 157 159 A N H < S+ 0 0 112 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.414 83.9 134.8 -93.8 -0.6 12.1 71.6 77.6 158 160 A K < 0 0 87 -4,-0.7 -3,-0.1 -3,-0.3 -64,-0.0 -0.276 360.0 360.0 -53.1 124.9 9.8 71.0 74.7 159 161 A K 0 0 246 -2,-0.0 -1,-0.2 0, 0.0 -4,-0.0 0.333 360.0 360.0-147.1 360.0 7.0 73.6 74.6 160 !* 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 0.0 161 4 B K 0 0 169 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 18.7 43.6 50.2 82.7 162 5 B T > - 0 0 55 1,-0.1 4,-1.8 -39,-0.0 3,-0.3 -0.744 360.0-105.8-119.6 168.4 44.6 47.0 84.3 163 6 B I H > S+ 0 0 31 1,-0.3 4,-2.5 -2,-0.2 5,-0.2 0.867 123.0 56.2 -60.9 -35.4 43.1 43.5 84.7 164 7 B E H > S+ 0 0 42 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.878 104.1 53.2 -66.5 -31.8 42.4 44.3 88.3 165 8 B D H > S+ 0 0 76 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.893 109.1 48.6 -67.3 -37.8 40.5 47.4 87.1 166 9 B V H X S+ 0 0 5 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.936 111.6 50.0 -66.7 -43.3 38.4 45.1 84.9 167 10 B F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.911 111.0 47.6 -60.7 -45.9 37.8 42.7 87.8 168 11 B I H X S+ 0 0 9 -4,-2.5 4,-2.5 2,-0.2 60,-0.4 0.911 112.3 51.5 -62.4 -41.0 36.7 45.4 90.2 169 12 B H H X S+ 0 0 47 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.936 113.8 42.5 -61.1 -48.0 34.4 46.8 87.4 170 13 B L H X S+ 0 0 33 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.880 114.1 50.5 -68.5 -36.8 32.8 43.4 86.8 171 14 B L H X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.902 110.2 51.2 -66.9 -39.8 32.5 42.6 90.5 172 15 B S H X S+ 0 0 1 -4,-2.5 4,-1.9 -5,-0.2 58,-0.2 0.890 109.6 50.3 -63.1 -39.5 30.9 45.9 91.2 173 16 B D H X S+ 0 0 21 -4,-1.8 4,-2.7 1,-0.2 59,-0.2 0.933 111.2 47.3 -65.2 -45.7 28.4 45.3 88.4 174 17 B T H X S+ 0 0 3 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.860 107.6 57.4 -65.3 -32.9 27.5 41.8 89.8 175 18 B Y H X S+ 0 0 62 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.936 110.0 44.2 -61.5 -46.5 27.1 43.4 93.3 176 19 B S H X S+ 0 0 13 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.946 112.3 53.2 -61.9 -48.6 24.5 45.8 91.8 177 20 B A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.912 110.2 46.6 -53.6 -48.2 22.9 42.9 89.9 178 21 B E H X S+ 0 0 0 -4,-2.9 4,-1.5 2,-0.2 -1,-0.2 0.939 111.1 51.5 -62.3 -47.3 22.6 40.8 93.1 179 22 B K H X S+ 0 0 87 -4,-2.4 4,-0.9 1,-0.2 3,-0.3 0.906 111.7 47.8 -56.3 -42.5 21.2 43.7 95.1 180 23 B Q H >X S+ 0 0 16 -4,-2.7 4,-1.9 1,-0.2 3,-0.7 0.925 107.1 57.0 -63.8 -43.8 18.6 44.3 92.4 181 24 B L H 3X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.786 95.1 65.8 -60.9 -26.5 17.7 40.6 92.3 182 25 B T H 3X S+ 0 0 16 -4,-1.5 4,-1.4 -3,-0.3 -1,-0.2 0.935 106.4 42.2 -62.9 -40.7 16.9 40.6 96.0 183 26 B R H X S+ 0 0 85 -4,-1.8 4,-1.2 1,-0.2 3,-0.6 0.891 111.2 52.7 -70.2 -40.8 8.2 40.0 94.3 188 31 B L H 3X S+ 0 0 15 -4,-2.7 4,-1.0 1,-0.2 3,-0.2 0.884 103.6 58.3 -62.2 -39.4 8.4 36.8 92.1 189 32 B A H 3< S+ 0 0 9 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 111.1 41.6 -61.1 -30.3 7.8 34.6 95.2 190 33 B R H << S+ 0 0 169 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.663 107.8 63.0 -90.9 -18.4 4.5 36.4 95.8 191 34 B A H < S+ 0 0 11 -4,-1.2 2,-0.3 -3,-0.2 -2,-0.2 0.632 87.4 84.3 -82.7 -16.0 3.5 36.4 92.1 192 35 B T < - 0 0 10 -4,-1.0 59,-0.1 1,-0.1 61,-0.1 -0.715 58.9-155.7 -98.4 145.2 3.3 32.7 91.5 193 36 B S S S+ 0 0 53 -2,-0.3 2,-0.6 59,-0.3 -1,-0.1 0.701 75.2 89.3 -80.6 -26.3 0.4 30.3 92.2 194 37 B N > - 0 0 43 58,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.669 65.9-154.7 -80.4 113.6 2.7 27.3 92.5 195 38 B E H > S+ 0 0 114 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.867 93.8 51.0 -57.5 -38.8 3.9 26.8 96.1 196 39 B K H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 111.7 46.3 -69.0 -37.1 7.1 24.9 95.0 197 40 B L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 113.1 50.8 -68.3 -39.9 8.1 27.7 92.5 198 41 B S H X S+ 0 0 25 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.894 111.3 47.2 -61.9 -43.5 7.4 30.3 95.2 199 42 B Q H X S+ 0 0 103 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.851 110.1 54.5 -67.0 -34.7 9.5 28.5 97.7 200 43 B A H X S+ 0 0 21 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.917 110.1 45.6 -65.3 -43.7 12.2 28.1 95.0 201 44 B F H X S+ 0 0 5 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.893 114.1 48.7 -66.7 -39.5 12.2 31.9 94.4 202 45 B H H X S+ 0 0 88 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 110.2 51.0 -68.0 -40.3 12.2 32.6 98.2 203 46 B A H X S+ 0 0 57 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.920 110.4 48.8 -63.0 -42.8 15.1 30.2 98.8 204 47 B H H X S+ 0 0 12 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.825 106.5 59.9 -66.8 -28.5 17.1 31.9 96.0 205 48 B L H X S+ 0 0 24 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.982 109.1 40.7 -62.5 -53.7 16.2 35.2 97.7 206 49 B E H X S+ 0 0 117 -4,-2.2 4,-1.5 1,-0.2 3,-0.5 0.926 114.8 52.2 -59.8 -44.4 18.0 34.2 100.9 207 50 B E H X S+ 0 0 54 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.827 103.4 59.4 -59.9 -34.5 20.9 32.6 99.0 208 51 B T H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.878 103.5 49.6 -64.8 -37.3 21.3 35.8 97.1 209 52 B H H X S+ 0 0 102 -4,-1.4 4,-2.1 -3,-0.5 -1,-0.2 0.866 109.7 53.1 -67.2 -33.6 21.9 37.8 100.3 210 53 B G H X S+ 0 0 20 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.819 108.6 50.3 -68.2 -30.2 24.4 35.0 101.1 211 54 B Q H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.837 106.9 52.2 -77.4 -34.1 26.0 35.7 97.7 212 55 B I H X S+ 0 0 12 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.929 109.1 51.2 -66.8 -42.5 26.3 39.4 98.3 213 56 B E H X S+ 0 0 105 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.860 106.4 55.7 -60.8 -33.2 28.0 38.7 101.6 214 57 B R H X S+ 0 0 35 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.873 104.5 51.8 -67.8 -36.1 30.4 36.4 99.7 215 58 B I H X S+ 0 0 1 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.893 107.0 53.8 -65.7 -37.6 31.3 39.3 97.3 216 59 B D H X S+ 0 0 74 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.915 108.1 50.2 -62.1 -38.1 32.0 41.3 100.5 217 60 B Q H X S+ 0 0 64 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.828 107.0 54.3 -68.9 -29.6 34.3 38.5 101.4 218 61 B V H >< S+ 0 0 1 -4,-1.7 3,-0.5 2,-0.2 4,-0.2 0.956 108.8 48.6 -67.2 -47.7 36.0 38.6 98.0 219 62 B V H >< S+ 0 0 29 -4,-2.5 3,-1.1 1,-0.2 6,-0.3 0.865 110.2 50.9 -60.3 -39.3 36.7 42.3 98.4 220 63 B E H 3< S+ 0 0 139 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.787 96.7 69.7 -73.7 -21.0 38.2 41.8 101.9 221 64 B S T << S+ 0 0 17 -4,-1.2 2,-0.3 -3,-0.5 -1,-0.2 0.502 105.8 39.0 -73.1 -3.7 40.5 39.0 100.7 222 65 B E S X S- 0 0 51 -3,-1.1 3,-2.6 -4,-0.2 -1,-0.2 -0.821 77.6-146.4-148.6 102.5 42.7 41.5 98.8 223 66 B S T 3 S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.678 96.0 58.2 -43.3 -28.6 43.3 44.9 100.4 224 67 B N T 3 S+ 0 0 75 -3,-0.0 -1,-0.3 2,-0.0 -4,-0.1 0.708 87.2 96.7 -78.0 -22.4 43.3 46.7 97.1 225 68 B L < + 0 0 11 -3,-2.6 2,-0.3 -6,-0.3 -6,-0.0 -0.171 45.3 165.0 -68.1 162.3 39.8 45.6 96.0 226 69 B K - 0 0 104 2,-0.0 2,-0.6 0, 0.0 -54,-0.1 -0.953 38.8-112.8-167.0 161.0 36.6 47.7 96.5 227 70 B I - 0 0 44 -2,-0.3 2,-0.4 -56,-0.1 -58,-0.1 -0.946 30.8-150.9-106.6 118.0 33.0 47.8 95.3 228 71 B K - 0 0 86 -2,-0.6 2,-0.3 -60,-0.4 -2,-0.0 -0.736 25.4-109.2 -88.3 138.5 32.4 50.9 93.2 229 72 B R + 0 0 238 -2,-0.4 2,-0.3 -54,-0.0 -56,-0.1 -0.508 59.8 134.5 -70.9 127.4 28.9 52.1 93.2 230 73 B X - 0 0 51 -2,-0.3 2,-0.6 -58,-0.2 -3,-0.0 -0.987 52.2-112.2-164.3 165.0 27.0 51.5 90.0 231 74 B K - 0 0 118 -2,-0.3 2,-1.1 -55,-0.1 3,-0.1 -0.937 22.9-140.6-110.6 123.1 23.8 50.3 88.4 232 75 B C > - 0 0 0 -2,-0.6 4,-0.9 -59,-0.2 3,-0.1 -0.757 18.2-171.4 -83.2 104.3 24.0 47.1 86.4 233 76 B V H > S+ 0 0 4 -2,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.814 76.6 63.3 -68.5 -34.5 21.7 48.0 83.6 234 77 B A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 101.5 51.4 -59.4 -42.9 21.5 44.5 82.1 235 78 B X H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.846 102.6 60.1 -64.6 -33.6 19.9 43.1 85.2 236 79 B E H X S+ 0 0 28 -4,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.952 107.7 46.3 -57.2 -48.4 17.2 45.8 85.1 237 80 B G H X S+ 0 0 1 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.891 112.3 48.2 -61.4 -43.0 16.2 44.5 81.7 238 81 B L H X S+ 0 0 1 -4,-1.9 4,-1.0 1,-0.2 3,-0.3 0.880 110.8 51.3 -67.3 -37.5 16.1 40.9 82.7 239 82 B I H X S+ 0 0 30 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.867 105.6 58.1 -66.9 -32.9 14.1 41.7 85.8 240 83 B E H X S+ 0 0 39 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.807 95.4 62.4 -67.8 -28.6 11.6 43.6 83.5 241 84 B E H X S+ 0 0 17 -4,-1.1 4,-1.8 -3,-0.3 -1,-0.2 0.914 105.0 47.6 -62.8 -40.3 11.0 40.5 81.4 242 85 B A H X S+ 0 0 10 -4,-1.0 4,-2.4 -3,-0.3 -1,-0.2 0.896 109.6 53.3 -66.1 -39.9 9.5 38.8 84.5 243 86 B N H X S+ 0 0 44 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.921 108.7 49.6 -59.1 -46.1 7.4 42.0 85.2 244 87 B E H X S+ 0 0 80 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.849 107.9 53.7 -62.9 -36.0 6.0 41.8 81.7 245 88 B V H >< S+ 0 0 23 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.955 108.1 50.5 -62.8 -48.4 5.1 38.2 82.1 246 89 B I H >< S+ 0 0 30 -4,-2.4 3,-1.0 1,-0.3 -2,-0.2 0.887 110.3 49.9 -55.8 -41.6 3.2 39.0 85.3 247 90 B E H 3< S+ 0 0 140 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.611 113.2 46.1 -75.0 -12.5 1.3 41.8 83.5 248 91 B S T << S+ 0 0 78 -3,-1.2 2,-0.3 -4,-0.8 -1,-0.2 0.092 108.3 57.3-118.2 23.3 0.3 39.5 80.6 249 92 B T S < S- 0 0 30 -3,-1.0 2,-0.1 -4,-0.1 0, 0.0 -0.985 75.5-118.4-148.4 157.0 -0.8 36.4 82.5 250 93 B E - 0 0 137 -2,-0.3 2,-2.1 1,-0.1 5,-0.5 -0.479 54.6 -87.2 -85.7 167.0 -3.4 35.4 85.1 251 94 B K S S+ 0 0 103 -2,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.508 95.8 93.7 -79.7 77.8 -1.8 33.9 88.3 252 95 B N S > S- 0 0 34 -2,-2.1 4,-2.1 -59,-0.0 3,-0.4 -0.695 96.2 -60.3-145.4-163.6 -1.7 30.3 87.1 253 96 B E H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.683 125.0 62.2 -67.4 -17.5 0.6 27.8 85.4 254 97 B V H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 107.8 45.1 -70.7 -43.0 1.0 30.0 82.2 255 98 B R H > S+ 0 0 32 -5,-0.5 4,-3.0 -3,-0.4 5,-0.2 0.938 112.8 51.5 -63.2 -46.3 2.6 32.6 84.5 256 99 B D H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.928 109.6 48.1 -57.2 -49.3 4.7 30.0 86.2 257 100 B A H X S+ 0 0 55 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.914 116.2 44.1 -58.9 -43.7 6.0 28.5 82.9 258 101 B A H X S+ 0 0 31 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.857 111.5 52.7 -71.2 -36.3 6.9 32.0 81.6 259 102 B L H X S+ 0 0 2 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.881 108.0 52.1 -67.8 -35.1 8.4 33.1 84.9 260 103 B I H X S+ 0 0 3 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.890 109.8 48.8 -68.3 -34.9 10.7 30.1 84.9 261 104 B A H X S+ 0 0 46 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.931 113.6 46.6 -68.2 -44.4 11.8 30.9 81.4 262 105 B A H >X S+ 0 0 7 -4,-2.6 4,-1.7 1,-0.2 3,-0.6 0.927 110.8 52.3 -64.0 -40.2 12.5 34.5 82.5 263 106 B A H 3X S+ 0 0 10 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.827 104.9 56.2 -64.2 -30.4 14.3 33.2 85.6 264 107 B Q H 3X S+ 0 0 74 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.808 103.5 54.3 -69.3 -30.1 16.5 31.0 83.4 265 108 B K H S+ 0 0 0 -4,-2.6 5,-2.5 1,-0.2 4,-0.6 0.901 111.9 45.4 -56.8 -42.3 40.3 36.0 90.0 282 125 B E H ><5S+ 0 0 64 -4,-2.2 3,-0.5 1,-0.2 -1,-0.2 0.867 111.2 51.6 -71.8 -34.2 42.5 33.0 89.2 283 126 B Q H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.769 109.6 52.0 -72.7 -21.7 44.4 34.8 86.5 284 127 B L H 3<5S- 0 0 48 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.603 116.1-115.7 -86.3 -13.7 45.1 37.6 89.1 285 128 B G T <<5 + 0 0 56 -4,-0.6 2,-1.8 -3,-0.5 -3,-0.2 0.616 65.9 147.7 87.2 12.1 46.4 35.1 91.6 286 129 B Y >< + 0 0 18 -5,-2.5 4,-2.6 -6,-0.2 -1,-0.2 -0.582 19.0 174.4 -80.8 79.9 43.5 35.9 93.9 287 130 B R H > S+ 0 0 185 -2,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.881 72.3 43.9 -58.8 -48.1 43.2 32.4 95.5 288 131 B K H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 115.7 49.6 -63.7 -46.2 40.5 33.0 98.1 289 132 B A H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.905 106.6 54.8 -58.8 -44.9 38.4 35.1 95.8 290 133 B A H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.963 110.7 47.0 -53.8 -50.8 38.6 32.4 93.0 291 134 B K H X S+ 0 0 108 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.892 113.2 47.5 -57.7 -44.7 37.3 29.9 95.5 292 135 B L H X S+ 0 0 17 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.922 111.7 49.6 -65.5 -43.2 34.5 32.1 96.8 293 136 B L H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.878 110.1 51.4 -64.5 -36.2 33.4 33.0 93.2 294 137 B K H X S+ 0 0 92 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.875 105.7 56.4 -67.3 -35.1 33.3 29.3 92.3 295 138 B E H X S+ 0 0 97 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.911 111.0 42.5 -62.4 -43.1 31.1 28.6 95.3 296 139 B T H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 110.8 57.0 -69.5 -39.9 28.6 31.2 94.1 297 140 B L H X S+ 0 0 21 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.879 107.6 48.0 -56.5 -40.6 28.9 29.8 90.6 298 141 B E H X S+ 0 0 121 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.845 109.2 53.4 -69.8 -35.7 28.0 26.4 91.8 299 142 B E H X S+ 0 0 47 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.879 108.6 49.3 -67.5 -37.0 25.0 27.7 93.7 300 143 B E H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.890 109.9 51.8 -70.1 -34.7 23.7 29.4 90.6 301 144 B K H X S+ 0 0 90 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.917 111.6 46.2 -64.8 -43.8 24.1 26.2 88.6 302 145 B A H X S+ 0 0 61 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.926 112.4 51.6 -63.6 -44.9 22.2 24.3 91.2 303 146 B T H X S+ 0 0 22 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.918 111.0 47.3 -57.4 -45.3 19.5 27.0 91.3 304 147 B D H X S+ 0 0 36 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.919 110.4 51.4 -63.9 -45.6 19.2 26.9 87.5 305 148 B I H X S+ 0 0 101 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.898 108.1 54.4 -58.4 -40.3 18.9 23.1 87.4 306 149 B K H X S+ 0 0 85 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.859 105.8 50.8 -62.7 -38.9 16.2 23.4 90.1 307 150 B L H X S+ 0 0 8 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.943 110.1 51.2 -64.5 -44.5 14.2 25.7 87.9 308 151 B T H X S+ 0 0 50 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.909 111.8 45.6 -56.5 -48.4 14.5 23.3 85.0 309 152 B D H X S+ 0 0 77 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.855 112.3 51.3 -66.7 -35.1 13.3 20.4 87.1 310 153 B L H < S+ 0 0 6 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.914 108.7 52.8 -66.4 -41.5 10.4 22.5 88.5 311 154 B A H >< S+ 0 0 42 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.917 107.6 51.9 -58.3 -44.8 9.5 23.4 84.9 312 155 B I H 3< S+ 0 0 121 -4,-2.2 2,-0.7 1,-0.3 -1,-0.2 0.910 115.5 38.2 -61.2 -48.9 9.4 19.6 84.0 313 156 B N T 3< 0 0 131 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 -0.415 360.0 360.0 -98.3 55.6 7.0 18.7 86.8 314 157 B N < 0 0 64 -3,-1.1 -2,-0.2 -2,-0.7 -1,-0.2 0.461 360.0 360.0-142.0 360.0 5.2 21.9 86.2