==== 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 TRANSCRIPTION REGULATOR 12-NOV-09 3KNW . COMPND 2 MOLECULE: PUTATIVE TRANSCRIPTIONAL REGULATOR (TETR/ACRR FAM . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER SP.; . AUTHOR B.NOCEK,L.BIGELOW,G.COBB,A.JOACHIMIAK,MIDWEST CENTER FOR STR . 359 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 78.3 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 . 5 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 238 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 2 1 1 1 1 0 0 0 4 0 0 0 1 0 0 0 2 0 2 0 0 0 2 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 9 A S > 0 0 112 0, 0.0 4,-3.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -74.7 54.9 60.2 40.2 2 10 A E H > + 0 0 106 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.897 360.0 49.7 -66.7 -36.1 53.8 61.6 36.9 3 11 A A H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 110.6 50.5 -70.0 -32.9 57.4 61.2 35.8 4 12 A K H > S+ 0 0 84 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.968 108.0 51.2 -65.2 -53.1 57.3 57.7 37.1 5 13 A R H X S+ 0 0 52 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.913 112.6 48.3 -46.1 -45.3 54.1 57.0 35.2 6 14 A Q H X S+ 0 0 49 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.861 107.6 54.4 -67.5 -39.6 56.0 58.4 32.1 7 15 A H H X S+ 0 0 97 -4,-2.3 4,-3.2 2,-0.2 -1,-0.2 0.936 108.4 49.3 -57.2 -47.1 59.0 56.2 32.7 8 16 A I H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.928 111.9 47.4 -60.4 -48.1 56.8 53.1 32.8 9 17 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 -1,-0.2 0.935 113.4 48.8 -58.5 -46.2 55.1 54.1 29.5 10 18 A D H X S+ 0 0 70 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.903 111.1 49.7 -65.3 -41.7 58.5 54.8 27.9 11 19 A S H X S+ 0 0 11 -4,-3.2 4,-2.1 2,-0.2 -2,-0.2 0.966 114.5 46.0 -50.1 -56.0 59.9 51.5 29.2 12 20 A G H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.899 108.5 56.7 -56.0 -42.2 56.8 49.8 27.8 13 21 A F H X S+ 0 0 41 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.896 107.1 46.6 -61.5 -48.1 57.0 51.6 24.5 14 22 A H H X S+ 0 0 99 -4,-2.0 4,-1.5 1,-0.2 3,-0.3 0.938 110.6 54.6 -57.4 -46.5 60.6 50.5 23.7 15 23 A L H >X S+ 0 0 10 -4,-2.1 4,-2.5 1,-0.2 3,-0.6 0.938 107.8 49.7 -54.0 -46.7 59.5 47.0 24.6 16 24 A V H 3X S+ 0 0 7 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.792 102.9 58.0 -70.0 -31.2 56.7 47.1 22.1 17 25 A L H 3< S+ 0 0 41 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.868 116.7 37.4 -60.3 -36.9 58.8 48.4 19.2 18 26 A R H << S+ 0 0 162 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.892 137.2 10.4 -77.1 -46.6 61.0 45.3 19.6 19 27 A K H < S- 0 0 114 -4,-2.5 4,-0.3 1,-0.3 -3,-0.2 0.423 92.8-123.3-125.8 -1.6 58.4 42.6 20.5 20 28 A G < - 0 0 1 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.1 -0.330 30.0 -87.4 80.5-171.2 54.9 43.8 20.0 21 29 A F S > S+ 0 0 7 2,-0.1 3,-1.4 -2,-0.1 -1,-0.1 0.859 114.2 47.4-108.5 -56.3 52.1 43.9 22.5 22 30 A V T 3 S+ 0 0 57 1,-0.3 -2,-0.1 80,-0.1 -1,-0.0 0.821 106.4 63.2 -62.4 -30.6 50.2 40.6 22.7 23 31 A G T 3 S+ 0 0 60 -4,-0.3 -1,-0.3 2,-0.0 2,-0.3 0.744 93.9 77.3 -63.1 -24.7 53.5 38.7 22.8 24 32 A V < - 0 0 7 -3,-1.4 2,-0.2 -4,-0.1 -8,-0.0 -0.628 61.4-153.2-101.1 149.2 54.6 40.3 26.2 25 33 A G >> - 0 0 34 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.611 37.8-103.6-100.9 168.3 53.6 39.6 29.8 26 34 A L H 3> S+ 0 0 31 1,-0.2 4,-4.3 -2,-0.2 5,-0.3 0.881 115.8 69.3 -56.3 -36.9 53.8 42.1 32.6 27 35 A Q H 3> S+ 0 0 171 2,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.872 103.1 40.9 -50.5 -47.1 56.9 40.4 33.9 28 36 A E H <> S+ 0 0 70 -3,-0.5 4,-3.5 2,-0.2 5,-0.2 0.970 115.7 51.2 -67.4 -51.1 59.0 41.6 30.9 29 37 A I H X S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.3 0.900 115.0 43.0 -48.5 -47.6 57.3 44.9 31.2 30 38 A L H X>S+ 0 0 27 -4,-4.3 4,-2.4 2,-0.2 5,-0.6 0.936 114.7 50.1 -64.5 -50.3 58.2 45.0 35.1 31 39 A K H <5S+ 0 0 184 -4,-3.2 -2,-0.2 -5,-0.3 -1,-0.2 0.900 112.3 48.0 -52.0 -44.5 61.7 43.7 34.4 32 40 A T H <5S+ 0 0 62 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.959 116.6 41.1 -65.2 -47.6 62.3 46.4 31.7 33 41 A S H <5S- 0 0 10 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.789 99.3-130.8 -73.9 -29.6 61.0 49.3 33.7 34 42 A G T <5 + 0 0 65 -4,-2.4 -3,-0.1 1,-0.3 -4,-0.1 0.383 63.9 131.2 88.2 1.8 62.6 48.3 37.1 35 43 A V < - 0 0 17 -5,-0.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.664 60.2-120.0 -92.7 139.8 59.3 48.8 38.9 36 44 A P > - 0 0 88 0, 0.0 4,-1.8 0, 0.0 5,-0.1 -0.332 29.2-113.4 -65.7 161.7 57.8 46.2 41.3 37 45 A K H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 114.4 58.7 -65.3 -40.2 54.4 44.9 40.3 38 46 A G H > S+ 0 0 43 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.883 108.4 47.1 -57.4 -41.0 52.6 46.5 43.2 39 47 A S H >> S+ 0 0 16 2,-0.2 3,-1.7 1,-0.2 4,-1.1 0.947 108.4 52.5 -61.1 -56.3 53.8 49.9 42.0 40 48 A F H 3X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.3 3,-0.4 0.852 105.6 57.2 -50.9 -38.8 52.8 49.4 38.4 41 49 A Y H 3< S+ 0 0 113 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.731 96.0 62.0 -75.3 -17.1 49.4 48.4 39.5 42 50 A H H << S+ 0 0 166 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.873 114.6 35.8 -66.2 -32.5 49.0 51.8 41.3 43 51 A Y H < S+ 0 0 61 -4,-1.1 2,-0.4 -3,-0.4 -2,-0.2 0.855 128.5 25.0 -86.5 -42.6 49.4 53.5 37.9 44 52 A F < - 0 0 5 -4,-2.7 -1,-0.2 1,-0.1 3,-0.1 -0.990 60.1-150.3-132.0 132.8 47.6 51.0 35.6 45 53 A E S S- 0 0 169 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.1 0.723 77.6 -3.0 -76.1 -18.0 44.9 48.5 36.4 46 54 A S S > S- 0 0 38 1,-0.1 4,-2.1 -20,-0.0 5,-0.2 -0.987 73.9 -97.0-163.1 162.9 45.8 45.9 33.7 47 55 A K H > S+ 0 0 51 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.881 125.9 52.2 -51.2 -36.7 48.1 45.1 30.8 48 56 A E H > S+ 0 0 68 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 105.7 50.0 -71.9 -47.0 45.2 46.4 28.7 49 57 A A H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 113.1 49.9 -51.7 -41.8 44.7 49.8 30.5 50 58 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.889 107.4 52.1 -69.2 -44.0 48.4 50.3 30.1 51 59 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.940 110.1 50.0 -56.8 -47.9 48.4 49.4 26.4 52 60 A C H X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.914 113.2 45.8 -58.6 -40.8 45.6 52.0 25.9 53 61 A E H X S+ 0 0 62 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.898 108.9 56.5 -73.7 -33.6 47.6 54.6 27.8 54 62 A L H X S+ 0 0 11 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.915 110.7 43.0 -57.4 -46.5 50.8 53.7 25.9 55 63 A L H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.877 114.1 50.6 -72.6 -36.3 49.1 54.4 22.5 56 64 A K H X S+ 0 0 95 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.916 111.8 47.8 -64.0 -44.2 47.4 57.5 23.7 57 65 A H H X S+ 0 0 30 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.853 111.3 51.8 -67.1 -37.2 50.7 58.9 25.1 58 66 A Y H X S+ 0 0 47 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.941 112.7 43.5 -60.2 -49.8 52.4 58.0 21.8 59 67 A I H X S+ 0 0 25 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.909 112.3 54.6 -64.5 -41.5 49.7 59.9 19.8 60 68 A S H X S+ 0 0 48 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.864 112.1 41.9 -63.7 -43.5 49.7 62.8 22.2 61 69 A D H X S+ 0 0 73 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.877 110.0 59.6 -66.8 -42.0 53.5 63.4 21.9 62 70 A Y H X S+ 0 0 60 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.943 107.8 45.1 -53.3 -48.6 53.4 62.8 18.1 63 71 A Q H X S+ 0 0 69 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 110.8 51.9 -69.8 -37.0 51.0 65.7 17.6 64 72 A I H X S+ 0 0 83 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.911 110.5 50.5 -57.7 -42.7 53.0 68.0 19.9 65 73 A R H X S+ 0 0 54 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.880 110.9 48.9 -66.2 -36.1 56.0 67.0 17.8 66 74 A L H X S+ 0 0 6 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.832 104.7 58.4 -66.9 -35.3 54.0 67.9 14.7 67 75 A N H X S+ 0 0 68 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.918 110.3 44.3 -60.4 -41.8 52.9 71.2 16.1 68 76 A Q H >< S+ 0 0 139 -4,-1.7 3,-1.3 2,-0.2 -2,-0.2 0.990 112.2 48.4 -66.0 -64.0 56.6 72.2 16.5 69 77 A L H 3< S+ 0 0 53 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.815 119.6 41.6 -42.4 -37.2 57.9 71.0 13.1 70 78 A W H 3< S+ 0 0 17 -4,-1.7 2,-0.4 1,-0.2 -1,-0.2 0.417 93.6 76.2-106.6 -0.1 54.9 72.9 11.4 71 79 A T S << S+ 0 0 118 -3,-1.3 2,-0.3 -4,-0.8 -1,-0.2 -0.547 70.3 104.9-109.7 64.1 54.6 76.2 13.2 72 80 A T S S- 0 0 83 -2,-0.4 2,-0.4 -3,-0.2 7,-0.0 -0.682 85.6-103.1-115.5 179.7 57.6 77.9 11.6 73 81 A E S S+ 0 0 195 -2,-0.3 2,-0.2 0, 0.0 -2,-0.1 -0.437 81.9 108.3-109.5 57.8 57.1 80.5 8.9 74 82 A T S S- 0 0 66 -2,-0.4 -2,-0.1 1,-0.2 0, 0.0 -0.596 74.3 -65.0-114.4 178.5 58.0 78.4 5.9 75 83 A S > - 0 0 40 -2,-0.2 4,-1.4 1,-0.1 -1,-0.2 -0.130 33.2-124.1 -52.5 155.9 56.0 76.8 3.0 76 84 A A H > S+ 0 0 0 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.906 116.7 53.4 -63.1 -44.2 53.3 74.2 3.4 77 85 A R H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 109.8 43.3 -59.1 -49.7 55.5 72.2 0.9 78 86 A D H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.828 110.7 56.7 -68.3 -31.8 58.7 72.5 3.0 79 87 A K H X S+ 0 0 30 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.898 110.7 44.7 -63.6 -35.5 56.8 71.8 6.1 80 88 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.830 112.6 49.6 -78.5 -35.0 55.6 68.5 4.5 81 89 A X H X S+ 0 0 14 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.882 109.4 55.2 -73.9 -33.0 59.1 67.6 3.1 82 90 A N H X S+ 0 0 72 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.970 108.1 45.4 -56.0 -62.2 60.5 68.3 6.6 83 91 A Y H X S+ 0 0 10 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.911 116.1 46.6 -44.2 -53.7 58.1 65.9 8.3 84 92 A L H X S+ 0 0 2 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.857 107.8 55.4 -62.3 -38.8 58.7 63.2 5.7 85 93 A Q H X S+ 0 0 103 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.868 107.2 51.8 -65.4 -34.2 62.5 63.7 5.9 86 94 A C H X S+ 0 0 71 -4,-2.0 4,-1.1 2,-0.2 3,-0.4 0.835 102.3 58.7 -64.5 -43.7 62.1 63.1 9.6 87 95 A W H >< S+ 0 0 39 -4,-1.9 3,-0.6 1,-0.2 -2,-0.2 0.959 107.4 49.0 -43.7 -54.5 60.3 59.8 8.8 88 96 A V H 3< S+ 0 0 11 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.710 101.4 63.0 -63.8 -27.2 63.4 58.8 6.9 89 97 A K H 3< 0 0 72 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.796 360.0 360.0 -73.9 -31.9 65.9 59.7 9.8 90 98 A D << 0 0 122 -4,-1.1 -3,-0.1 -3,-0.6 -2,-0.1 0.767 360.0 360.0 68.6 360.0 64.7 57.1 12.5 91 ! 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 92 107 A E > 0 0 66 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -62.0 57.3 55.0 14.7 93 108 A S H > + 0 0 23 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.794 360.0 62.3 -68.7 -31.6 56.4 53.2 11.4 94 109 A C H > S+ 0 0 26 1,-0.2 4,-4.0 2,-0.2 5,-0.3 0.902 96.4 59.0 -57.2 -42.9 57.5 50.0 13.1 95 110 A L H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.898 108.0 43.9 -57.9 -41.2 54.7 50.5 15.6 96 111 A I H X S+ 0 0 12 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.850 116.5 47.5 -72.3 -31.2 52.1 50.5 12.8 97 112 A V H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.934 115.5 44.9 -71.8 -50.6 53.8 47.5 11.2 98 113 A K H X S+ 0 0 26 -4,-4.0 4,-1.7 2,-0.2 3,-0.2 0.992 117.3 43.4 -51.6 -62.0 54.0 45.6 14.5 99 114 A X H < S+ 0 0 2 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.846 112.7 52.2 -63.3 -35.9 50.5 46.4 15.5 100 115 A A H >< S+ 0 0 0 -4,-2.1 3,-1.7 -5,-0.2 -1,-0.3 0.940 107.6 55.8 -58.1 -47.3 49.1 45.7 12.0 101 116 A A H 3< S+ 0 0 11 -4,-2.4 3,-0.4 1,-0.3 -2,-0.2 0.889 116.7 33.1 -48.3 -50.0 50.9 42.3 12.2 102 117 A E T >X S+ 0 0 24 -4,-1.7 3,-1.9 1,-0.2 4,-0.8 0.065 81.1 122.4 -99.8 22.6 49.2 41.3 15.4 103 118 A V G X4 + 0 0 15 -3,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.798 61.9 69.3 -59.4 -29.4 45.9 43.1 14.7 104 119 A A G 34 S+ 0 0 97 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.742 107.7 37.3 -59.4 -22.9 43.9 39.8 15.1 105 120 A D G <4 S+ 0 0 121 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.508 89.7 111.6-111.5 -5.2 44.6 39.8 18.9 106 121 A L S << S- 0 0 17 -4,-0.8 2,-0.0 -3,-0.6 -3,-0.0 -0.387 74.6-109.0 -66.7 136.8 44.4 43.5 19.7 107 122 A S > - 0 0 27 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 -0.403 25.5-120.0 -54.8 144.9 41.5 44.7 21.8 108 123 A E H > S+ 0 0 86 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.830 113.1 60.8 -50.2 -39.4 39.0 46.7 19.9 109 124 A D H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 108.1 41.1 -60.1 -46.6 39.7 49.6 22.2 110 125 A X H > S+ 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.910 114.2 52.6 -69.0 -41.2 43.4 49.8 21.2 111 126 A R H X S+ 0 0 27 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.913 109.9 48.8 -61.8 -45.9 42.7 49.2 17.6 112 127 A L H X S+ 0 0 84 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.925 110.7 50.0 -56.3 -48.7 40.1 52.1 17.6 113 128 A I H X S+ 0 0 32 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.936 115.2 44.2 -57.4 -44.7 42.6 54.5 19.3 114 129 A X H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.933 112.0 52.1 -66.4 -49.7 45.3 53.6 16.8 115 130 A N H X S+ 0 0 8 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.829 110.3 48.2 -49.0 -45.6 42.9 53.8 13.8 116 131 A D H X S+ 0 0 85 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.893 108.0 55.1 -70.7 -37.5 41.8 57.2 14.8 117 132 A G H X S+ 0 0 15 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.944 111.1 45.1 -56.1 -46.2 45.4 58.4 15.3 118 133 A V H X S+ 0 0 8 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.917 110.6 53.3 -70.1 -41.7 46.3 57.4 11.8 119 134 A K H X S+ 0 0 87 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.881 109.5 50.0 -59.2 -37.1 43.1 59.0 10.4 120 135 A R H X S+ 0 0 125 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.908 108.4 51.7 -67.7 -40.3 44.0 62.2 12.1 121 136 A L H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.950 108.5 50.0 -62.5 -45.3 47.6 62.3 10.7 122 137 A I H X S+ 0 0 22 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.919 111.4 51.0 -61.0 -36.0 46.4 61.7 7.2 123 138 A A H X S+ 0 0 45 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.888 107.5 51.0 -73.4 -39.6 44.0 64.6 7.7 124 139 A R H X S+ 0 0 68 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.945 111.2 49.2 -58.1 -48.2 46.7 67.0 9.1 125 140 A X H X S+ 0 0 2 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.904 111.4 51.4 -55.0 -38.5 48.8 66.1 5.9 126 141 A A H X S+ 0 0 6 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.948 108.1 49.1 -62.3 -51.6 45.6 66.9 4.0 127 142 A D H X S+ 0 0 92 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.913 114.4 47.8 -53.3 -44.5 45.1 70.3 5.7 128 143 A L H X S+ 0 0 10 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.898 108.2 52.1 -71.9 -38.6 48.8 71.0 4.9 129 144 A I H X S+ 0 0 0 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.888 111.7 49.1 -63.6 -31.5 48.6 69.9 1.2 130 145 A R H >X S+ 0 0 152 -4,-1.8 4,-2.5 2,-0.2 3,-0.7 0.979 108.4 50.7 -76.5 -50.0 45.6 72.2 0.8 131 146 A I H 3X S+ 0 0 68 -4,-2.7 4,-1.8 1,-0.2 6,-0.2 0.909 111.5 52.0 -46.3 -43.1 47.3 75.2 2.4 132 147 A G H 3X>S+ 0 0 0 -4,-2.3 6,-2.0 1,-0.2 5,-1.3 0.819 108.5 48.1 -69.2 -30.1 50.2 74.5 0.0 133 148 A Q H <<5S+ 0 0 52 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.854 107.1 56.8 -77.3 -34.7 48.0 74.5 -3.0 134 149 A Q H <5S+ 0 0 141 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.935 113.5 40.6 -57.0 -48.8 46.3 77.8 -1.9 135 150 A E H <5S- 0 0 101 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.561 112.6-115.9 -78.1 -15.5 49.8 79.5 -1.8 136 151 A G T <5S+ 0 0 44 -4,-0.7 -3,-0.2 2,-0.2 3,-0.1 0.577 85.0 115.8 89.3 6.3 51.2 77.9 -5.0 137 152 A S S > - 0 0 83 1,-0.1 4,-2.3 4,-0.1 3,-1.1 -0.286 27.4-122.0 -65.1 140.3 42.9 66.7 -4.4 144 159 A P H 3> S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.764 108.6 55.4 -53.9 -33.7 44.4 66.9 -0.9 145 160 A D H 3> S+ 0 0 103 2,-0.2 4,-0.6 1,-0.2 -19,-0.1 0.800 113.0 43.1 -75.6 -27.9 42.5 64.0 0.6 146 161 A V H <> S+ 0 0 26 -3,-1.1 4,-2.4 2,-0.2 3,-0.4 0.891 113.7 50.4 -76.7 -43.3 43.8 61.7 -2.2 147 162 A L H X S+ 0 0 6 -4,-2.3 4,-3.1 1,-0.3 5,-0.3 0.925 105.3 54.8 -71.9 -37.4 47.4 62.9 -2.1 148 163 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.3 0.865 111.6 46.7 -62.3 -31.7 47.8 62.6 1.6 149 164 A Q H X S+ 0 0 48 -4,-0.6 4,-3.3 -3,-0.4 5,-0.2 0.908 111.9 49.3 -73.9 -45.8 46.8 59.0 1.4 150 165 A V H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.964 115.5 43.6 -55.4 -53.2 49.0 58.2 -1.5 151 166 A I H X S+ 0 0 1 -4,-3.1 4,-2.6 -5,-0.2 5,-0.2 0.968 116.9 45.8 -60.3 -49.0 51.9 59.8 0.2 152 167 A Y H X S+ 0 0 11 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.896 113.3 49.6 -65.3 -36.0 51.2 58.2 3.6 153 168 A Q H X S+ 0 0 1 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.935 110.4 50.5 -66.8 -44.5 50.6 54.8 2.0 154 169 A X H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.876 109.8 50.7 -63.2 -37.2 53.9 54.9 0.0 155 170 A Y H X S+ 0 0 1 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.932 108.9 50.0 -69.9 -40.8 55.9 55.9 3.1 156 171 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.915 114.2 45.8 -59.8 -38.2 54.5 53.0 5.2 157 172 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 175,-0.2 -1,-0.2 0.891 112.3 49.3 -75.1 -40.6 55.3 50.6 2.4 158 173 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 13,-0.3 0.867 111.2 51.5 -55.1 -44.2 58.7 52.0 1.9 159 174 A A H X S+ 0 0 3 -4,-2.9 4,-1.7 -5,-0.2 -2,-0.2 0.954 109.8 50.9 -62.0 -42.0 59.3 51.8 5.8 160 175 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.918 112.0 44.8 -59.0 -49.5 58.2 48.1 5.6 161 176 A L H X S+ 0 0 2 -4,-2.1 4,-3.3 1,-0.2 5,-0.4 0.898 107.4 60.0 -64.4 -40.9 60.6 47.2 2.8 162 177 A S H X>S+ 0 0 9 -4,-2.5 4,-1.7 1,-0.2 5,-0.8 0.891 106.6 46.7 -54.2 -39.8 63.4 49.1 4.6 163 178 A K H <5S+ 0 0 99 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.921 113.0 48.7 -65.9 -42.8 63.0 46.7 7.5 164 179 A L H <5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.924 120.9 35.8 -62.8 -45.1 63.0 43.7 5.2 165 180 A Y H <5S- 0 0 11 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.673 103.0-132.7 -81.6 -19.4 66.1 45.0 3.3 166 181 A K T <5S+ 0 0 133 -4,-1.7 2,-0.3 -5,-0.4 -3,-0.2 0.765 78.5 75.5 62.4 29.0 67.7 46.4 6.5 167 182 A H S > + 0 0 65 -2,-0.3 4,-2.8 1,-0.2 3,-0.9 0.177 68.7 120.8-101.5 20.3 66.5 52.7 3.8 169 184 A A H 3> S+ 0 0 45 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.926 78.5 53.1 -46.3 -48.1 67.0 52.7 0.1 170 185 A P H 3> S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.868 110.1 47.1 -60.3 -33.8 63.1 52.4 -0.4 171 186 A L H <> S+ 0 0 9 -3,-0.9 4,-2.0 -13,-0.3 -2,-0.2 0.875 108.6 55.3 -74.6 -39.3 62.5 55.4 1.9 172 187 A F H X S+ 0 0 117 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.874 108.8 47.5 -57.3 -38.7 65.1 57.4 0.1 173 188 A Q H X S+ 0 0 49 -4,-2.1 4,-3.1 -5,-0.3 5,-0.2 0.960 106.9 56.3 -72.1 -44.6 63.3 56.8 -3.2 174 189 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.867 106.5 53.2 -46.3 -46.3 59.9 57.7 -1.6 175 190 A L H X S+ 0 0 19 -4,-2.0 4,-0.8 2,-0.2 -1,-0.2 0.936 110.5 44.5 -53.3 -49.3 61.5 61.1 -0.7 176 191 A E H >X S+ 0 0 103 -4,-1.6 4,-1.0 1,-0.2 3,-0.7 0.919 115.2 49.9 -70.1 -36.9 62.6 61.7 -4.3 177 192 A S H 3X S+ 0 0 3 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.849 97.8 64.7 -67.6 -37.9 59.2 60.6 -5.5 178 193 A T H 3X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.777 99.3 58.2 -56.5 -25.0 57.2 62.8 -3.2 179 194 A K H > + 0 0 75 2,-0.2 4,-2.2 1,-0.2 3,-0.6 0.784 360.0 59.9 -85.7 -36.6 55.2 16.0 3.2 187 14 B Q H 3> S+ 0 0 77 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.844 101.2 57.3 -57.4 -36.8 53.0 18.5 1.3 188 15 B H H 3> S+ 0 0 87 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.708 106.8 48.6 -72.2 -18.6 50.4 18.1 4.0 189 16 B I H <> S+ 0 0 1 -3,-0.6 4,-2.1 -4,-0.3 -2,-0.2 0.888 114.7 44.9 -82.8 -44.7 53.0 19.2 6.6 190 17 B L H X S+ 0 0 1 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.970 115.3 46.9 -58.8 -55.3 54.0 22.2 4.4 191 18 B D H X S+ 0 0 74 -4,-3.7 4,-2.2 1,-0.2 5,-0.2 0.947 113.4 47.2 -57.4 -48.2 50.5 23.1 3.7 192 19 B S H X S+ 0 0 14 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.856 115.0 49.5 -59.6 -35.0 49.5 22.8 7.4 193 20 B G H X S+ 0 0 1 -4,-2.1 4,-1.9 2,-0.2 3,-0.4 0.887 106.7 53.8 -69.4 -42.7 52.6 24.9 8.2 194 21 B F H X S+ 0 0 49 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.942 106.8 51.1 -59.9 -44.5 51.8 27.5 5.7 195 22 B H H X S+ 0 0 125 -4,-2.2 4,-0.6 1,-0.2 -1,-0.2 0.736 109.6 52.3 -65.9 -22.7 48.3 28.1 7.1 196 23 B L H X S+ 0 0 38 -4,-0.8 4,-3.5 -3,-0.4 5,-0.3 0.860 107.2 49.6 -82.7 -35.7 49.8 28.5 10.6 197 24 B V H X S+ 0 0 13 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.773 105.0 60.2 -71.8 -28.4 52.4 31.1 9.6 198 25 B L H < S+ 0 0 78 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.843 119.0 28.5 -58.6 -36.9 49.6 33.0 7.9 199 26 B R H < S+ 0 0 69 -4,-0.6 -2,-0.2 -3,-0.2 -3,-0.1 0.827 138.3 20.1 -95.2 -37.4 47.9 33.3 11.3 200 27 B K H < S- 0 0 101 -4,-3.5 4,-0.3 1,-0.3 -3,-0.2 0.451 96.3-124.2-117.1 -5.8 50.8 33.2 13.8 201 28 B G < - 0 0 0 -4,-1.3 -1,-0.3 -5,-0.3 4,-0.2 -0.200 32.2 -84.9 78.7 179.8 54.0 34.2 11.9 202 29 B F S > S+ 0 0 13 75,-0.1 3,-0.6 2,-0.1 -1,-0.1 0.904 116.9 47.1 -90.9 -50.0 57.2 32.1 11.7 203 30 B V T 3 S+ 0 0 52 1,-0.2 -2,-0.1 -6,-0.1 -1,-0.0 0.969 107.4 53.9 -59.4 -56.5 59.1 32.9 14.8 204 31 B G T 3 S+ 0 0 54 -4,-0.3 2,-0.5 -7,-0.1 -1,-0.2 0.656 95.1 80.9 -57.6 -22.3 56.3 32.7 17.4 205 32 B V < - 0 0 2 -3,-0.6 2,-0.0 -4,-0.2 -1,-0.0 -0.771 68.7-150.1 -95.0 123.8 55.3 29.2 16.4 206 33 B G > - 0 0 31 -2,-0.5 4,-1.1 1,-0.1 3,-0.2 -0.260 31.0-103.8 -81.6 169.5 57.3 26.1 17.7 207 34 B L H > S+ 0 0 28 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.736 116.6 65.1 -64.7 -23.9 57.9 22.8 16.0 208 35 B Q H >> S+ 0 0 146 1,-0.2 4,-1.2 2,-0.2 3,-1.0 0.972 99.0 49.9 -60.5 -51.1 55.3 21.2 18.4 209 36 B E H 3> S+ 0 0 65 1,-0.3 4,-1.6 -3,-0.2 -1,-0.2 0.804 104.8 56.9 -64.3 -35.0 52.3 23.2 17.0 210 37 B I H 3< S+ 0 0 5 -4,-1.1 4,-0.5 1,-0.2 -1,-0.3 0.792 104.8 54.3 -63.5 -32.2 53.1 22.4 13.3 211 38 B L H << S+ 0 0 11 -3,-1.0 4,-0.3 -4,-0.9 3,-0.3 0.883 108.3 45.6 -71.3 -43.0 52.9 18.6 14.2 212 39 B K H >< S+ 0 0 185 -4,-1.2 3,-1.2 1,-0.2 -2,-0.2 0.910 109.3 53.7 -69.7 -43.9 49.4 18.6 15.8 213 40 B T T 3< S+ 0 0 69 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.665 113.7 44.0 -67.2 -15.9 47.7 20.8 13.1 214 41 B S T 3 S- 0 0 9 -4,-0.5 2,-1.5 -3,-0.3 -1,-0.3 0.449 104.1-134.4-100.2 -7.7 48.9 18.3 10.4 215 42 B G < + 0 0 61 -3,-1.2 -2,-0.1 -4,-0.3 -4,-0.1 -0.387 63.7 127.1 82.5 -58.0 47.9 15.3 12.6 216 43 B V - 0 0 30 -2,-1.5 -1,-0.2 -31,-0.1 -2,-0.2 0.132 64.9-103.2 -26.8 133.5 51.3 13.6 11.9 217 44 B P - 0 0 96 0, 0.0 3,-0.3 0, 0.0 4,-0.2 -0.071 26.2-108.9 -67.2 172.1 53.3 12.4 15.0 218 45 B K S > S+ 0 0 116 1,-0.2 3,-1.5 2,-0.2 4,-0.5 0.869 112.6 55.4 -78.9 -39.8 56.4 14.1 16.5 219 46 B G T > S+ 0 0 66 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 0.828 100.0 65.7 -56.8 -30.5 59.1 11.6 15.5 220 47 B S T >> S+ 0 0 27 -3,-0.3 4,-1.1 1,-0.2 3,-0.7 0.558 81.0 76.4 -77.5 -7.8 58.0 12.0 11.9 221 48 B F H <> S+ 0 0 1 -3,-1.5 4,-2.0 1,-0.2 3,-0.3 0.931 93.9 50.4 -66.3 -45.1 59.0 15.7 11.5 222 49 B Y H <4 S+ 0 0 137 -3,-0.6 -1,-0.2 -4,-0.5 -2,-0.2 0.494 100.8 65.1 -77.6 -2.2 62.6 15.0 11.2 223 50 B H H <4 S+ 0 0 156 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.903 114.2 29.7 -73.7 -47.6 61.9 12.3 8.5 224 51 B Y H < S+ 0 0 64 -4,-1.1 2,-0.4 -3,-0.3 -2,-0.2 0.775 128.7 31.3 -82.0 -27.3 60.6 15.0 6.0 225 52 B F < - 0 0 8 -4,-2.0 -1,-0.2 -5,-0.1 3,-0.1 -0.995 61.4-139.9-144.9 136.6 62.7 18.0 7.2 226 53 B E S S- 0 0 172 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.761 80.8 -31.7 -68.5 -24.9 66.1 18.6 8.7 227 54 B S > - 0 0 40 -6,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.981 67.4 -82.5-176.3 169.5 64.9 21.4 11.1 228 55 B K H > S+ 0 0 55 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.912 127.4 52.1 -53.3 -41.1 62.4 24.2 11.7 229 56 B E H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.864 107.5 47.2 -70.9 -38.3 64.8 26.4 9.6 230 57 B A H > S+ 0 0 36 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.822 112.5 54.0 -68.2 -28.9 65.0 24.1 6.5 231 58 B F H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.927 109.1 46.6 -67.6 -49.7 61.2 23.9 6.8 232 59 B G H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.932 111.0 51.9 -54.6 -52.4 60.9 27.7 6.7 233 60 B C H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 111.7 47.9 -52.9 -44.9 63.3 27.9 3.8 234 61 B E H X S+ 0 0 66 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.854 108.9 52.0 -68.7 -37.3 61.1 25.4 2.0 235 62 B L H X S+ 0 0 11 -4,-2.4 4,-3.6 2,-0.2 5,-0.2 0.954 112.7 46.7 -58.2 -50.7 57.8 27.1 2.7 236 63 B L H X S+ 0 0 17 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.908 110.9 49.3 -65.4 -43.1 59.1 30.4 1.4 237 64 B K H X S+ 0 0 117 -4,-2.4 4,-3.2 -5,-0.2 -1,-0.2 0.945 115.3 46.4 -59.6 -43.1 60.7 28.9 -1.8 238 65 B H H X S+ 0 0 57 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.940 112.3 49.3 -64.5 -46.2 57.3 27.2 -2.4 239 66 B Y H X S+ 0 0 54 -4,-3.6 4,-2.1 1,-0.2 -1,-0.2 0.918 114.7 46.8 -55.1 -42.1 55.4 30.4 -1.6 240 67 B I H X S+ 0 0 27 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.935 112.9 47.1 -69.9 -42.3 57.7 32.2 -4.0 241 68 B S H X S+ 0 0 67 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.933 112.3 48.9 -66.0 -46.3 57.5 29.6 -6.8 242 69 B D H X S+ 0 0 79 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.919 109.7 55.1 -58.2 -39.8 53.7 29.4 -6.6 243 70 B Y H X S+ 0 0 51 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.926 105.8 49.4 -60.2 -46.3 53.6 33.2 -6.7 244 71 B Q H X S+ 0 0 42 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.861 109.3 54.4 -66.4 -25.4 55.6 33.3 -9.9 245 72 B I H X S+ 0 0 82 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.953 108.1 47.6 -69.1 -47.4 53.2 30.7 -11.4 246 73 B R H X S+ 0 0 46 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.946 110.2 54.7 -58.0 -44.4 50.1 32.9 -10.6 247 74 B L H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.914 108.0 47.7 -53.8 -47.1 52.0 35.8 -12.1 248 75 B N H X S+ 0 0 74 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.869 110.2 51.6 -66.9 -39.1 52.6 33.9 -15.4 249 76 B Q H < S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.951 114.7 45.5 -54.3 -44.4 49.0 32.8 -15.6 250 77 B L H < S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.724 122.2 31.7 -78.3 -28.4 48.0 36.4 -15.1 251 78 B W H < S+ 0 0 12 -4,-1.9 2,-1.2 -5,-0.2 -1,-0.2 0.436 92.5 83.7-117.8 -2.1 50.4 38.1 -17.6 252 79 B T S < S+ 0 0 112 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.1 -0.763 78.8 117.3 -93.0 86.0 50.9 35.6 -20.4 253 80 B T S S- 0 0 67 -2,-1.2 7,-0.1 2,-0.2 -3,-0.0 -0.946 80.0-106.0-155.2 160.6 47.7 36.9 -22.0 254 81 B E S S+ 0 0 192 -2,-0.3 -3,-0.0 2,-0.0 -2,-0.0 0.481 85.8 91.4 -76.6 -3.0 46.3 38.7 -25.0 255 82 B T S S- 0 0 64 1,-0.1 2,-0.2 2,-0.1 -2,-0.2 -0.153 81.2 -82.7 -93.6-177.9 45.8 42.1 -23.3 256 83 B S >> - 0 0 31 1,-0.1 4,-2.0 60,-0.0 3,-0.8 -0.583 38.8-107.0 -89.8 147.2 47.9 45.2 -22.9 257 84 B A H 3> S+ 0 0 1 1,-0.2 4,-2.6 -2,-0.2 5,-0.2 0.799 118.8 56.0 -35.1 -43.5 50.5 45.8 -20.3 258 85 B R H 3> S+ 0 0 43 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.954 108.4 45.9 -63.8 -49.7 48.2 48.3 -18.5 259 86 B D H <> S+ 0 0 78 -3,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.832 110.8 53.6 -58.1 -38.5 45.4 45.7 -18.1 260 87 B K H X S+ 0 0 35 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.982 111.9 44.8 -62.0 -53.6 47.9 43.1 -17.0 261 88 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.913 114.7 47.6 -55.6 -45.4 49.2 45.3 -14.3 262 89 B X H X S+ 0 0 15 -4,-3.1 4,-2.8 -5,-0.2 -1,-0.2 0.907 109.2 55.9 -68.5 -34.7 45.7 46.4 -13.2 263 90 B N H X S+ 0 0 68 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.927 109.4 45.8 -56.0 -46.2 44.6 42.8 -13.2 264 91 B Y H < S+ 0 0 9 -4,-2.3 4,-0.5 2,-0.2 3,-0.3 0.929 113.6 47.6 -63.9 -47.9 47.4 42.0 -10.8 265 92 B L H >< S+ 0 0 2 -4,-2.4 3,-1.7 1,-0.2 4,-0.3 0.904 106.7 57.4 -64.9 -41.0 46.7 44.9 -8.5 266 93 B Q H >X S+ 0 0 93 -4,-2.8 3,-2.4 1,-0.3 4,-0.7 0.876 94.3 66.7 -55.8 -38.4 43.0 44.2 -8.4 267 94 B C T 3< S+ 0 0 78 -4,-1.4 3,-0.3 -3,-0.3 -1,-0.3 0.718 89.8 67.1 -59.6 -19.6 43.8 40.7 -7.1 268 95 B W T <4 S+ 0 0 36 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.601 97.7 54.0 -67.2 -14.9 45.1 42.5 -3.9 269 96 B V T <4 0 0 29 -3,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.684 360.0 360.0-100.6 -21.5 41.5 43.5 -3.2 270 97 B K < 0 0 121 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.0 -0.673 360.0 360.0 170.5 360.0 40.0 40.0 -3.4 271 ! 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 0.0 272 108 B S 0 0 49 0, 0.0 4,-0.2 0, 0.0 66,-0.0 0.000 360.0 360.0 360.0 79.9 50.6 39.5 1.2 273 109 B C > + 0 0 66 2,-0.1 4,-1.8 3,-0.1 5,-0.1 0.171 360.0 74.8 -92.7 -3.3 49.8 40.1 4.8 274 110 B L H > S+ 0 0 10 2,-0.2 4,-3.2 3,-0.1 5,-0.3 0.890 84.0 56.4 -70.8 -45.9 52.9 37.9 4.9 275 111 B I H > S+ 0 0 11 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.932 110.0 49.7 -54.2 -40.2 55.3 40.7 4.0 276 112 B V H > S+ 0 0 3 2,-0.2 4,-3.6 1,-0.2 -2,-0.2 0.957 112.9 43.6 -58.8 -54.1 53.9 42.5 7.0 277 113 B K H < S+ 0 0 33 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.856 118.1 45.3 -62.8 -37.0 54.3 39.6 9.4 278 114 B X H >< S+ 0 0 6 -4,-3.2 3,-1.3 2,-0.2 4,-0.5 0.938 114.3 47.3 -73.8 -45.8 57.8 38.9 8.0 279 115 B A H >< S+ 0 0 7 -4,-3.5 3,-1.1 -5,-0.3 -2,-0.2 0.925 109.5 57.2 -56.7 -41.1 58.7 42.6 8.1 280 116 B A T 3< S+ 0 0 8 -4,-3.6 -1,-0.2 -5,-0.3 -2,-0.2 0.675 116.5 33.9 -62.5 -15.9 57.3 42.6 11.7 281 117 B E T X> S+ 0 0 26 -3,-1.3 3,-2.8 -4,-0.5 4,-1.1 0.262 77.2 124.7-122.1 9.3 59.7 39.7 12.7 282 118 B V T <4 + 0 0 18 -3,-1.1 -2,-0.1 -4,-0.5 8,-0.1 0.693 67.8 62.6 -50.0 -31.4 62.8 40.6 10.6 283 119 B A T 34 S+ 0 0 96 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.821 111.0 39.6 -62.8 -31.5 65.2 40.7 13.6 284 120 B D T <4 S+ 0 0 96 -3,-2.8 -2,-0.2 2,-0.1 -1,-0.2 0.608 91.8 102.0-103.2 -15.4 64.5 37.0 14.3 285 121 B L S < S- 0 0 13 -4,-1.1 2,-0.1 -7,-0.2 -7,-0.0 -0.419 78.2-115.2 -58.8 139.7 64.4 35.8 10.7 286 122 B S > - 0 0 32 1,-0.1 4,-3.0 -2,-0.1 5,-0.2 -0.463 23.9-114.1 -66.6 156.2 67.6 34.0 9.7 287 123 B E H > S+ 0 0 85 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.868 115.3 56.1 -56.4 -44.6 69.7 35.7 7.0 288 124 B D H > S+ 0 0 111 2,-0.2 4,-1.7 3,-0.2 -1,-0.2 0.920 113.6 40.8 -57.4 -46.8 69.0 32.9 4.5 289 125 B X H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 3,-0.5 0.990 114.4 50.8 -67.5 -55.0 65.3 33.3 4.9 290 126 B R H X S+ 0 0 20 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.850 111.1 50.6 -50.6 -35.8 65.4 37.1 4.9 291 127 B L H X S+ 0 0 77 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.891 107.0 53.2 -72.7 -40.0 67.5 37.1 1.7 292 128 B I H X S+ 0 0 32 -4,-1.7 4,-2.7 -3,-0.5 3,-0.2 0.990 112.9 43.7 -51.7 -60.3 65.1 34.8 -0.1 293 129 B X H X S+ 0 0 16 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.887 112.2 53.2 -55.9 -41.5 62.2 37.1 0.6 294 130 B N H X S+ 0 0 14 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.936 110.8 46.0 -63.0 -40.0 64.3 40.1 -0.3 295 131 B D H X S+ 0 0 86 -4,-2.6 4,-2.5 -3,-0.2 -2,-0.2 0.903 111.1 54.7 -68.2 -40.8 65.2 38.6 -3.7 296 132 B G H X S+ 0 0 10 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.932 107.6 47.1 -55.2 -52.5 61.6 37.6 -4.2 297 133 B V H X S+ 0 0 12 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.893 112.1 51.2 -58.3 -43.7 60.3 41.2 -3.7 298 134 B K H X S+ 0 0 105 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.900 108.6 49.8 -66.2 -42.4 63.0 42.6 -6.0 299 135 B R H X S+ 0 0 115 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.900 111.5 52.2 -57.1 -41.1 62.1 40.2 -8.8 300 136 B L H X S+ 0 0 10 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.945 111.8 43.1 -60.3 -47.7 58.5 41.2 -8.3 301 137 B I H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.922 112.7 54.8 -65.9 -42.9 59.2 45.0 -8.6 302 138 B A H X S+ 0 0 44 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.881 109.5 46.4 -55.6 -45.3 61.5 44.3 -11.5 303 139 B R H X S+ 0 0 67 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.845 109.0 53.3 -70.7 -37.7 58.7 42.5 -13.4 304 140 B X H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.948 111.2 49.7 -56.3 -46.7 56.2 45.2 -12.6 305 141 B A H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.901 106.1 53.6 -60.2 -42.2 58.8 47.7 -14.2 306 142 B D H X S+ 0 0 73 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.876 110.8 49.0 -60.3 -34.6 59.3 45.6 -17.3 307 143 B L H X S+ 0 0 13 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.843 107.5 52.8 -78.4 -32.1 55.5 45.7 -17.8 308 144 B I H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.930 111.3 48.8 -65.8 -34.5 55.4 49.4 -17.2 309 145 B R H X S+ 0 0 86 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.946 111.9 45.3 -69.9 -55.9 58.1 49.8 -20.0 310 146 B I H X S+ 0 0 76 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.860 113.5 55.2 -46.7 -43.5 56.3 47.6 -22.5 311 147 B G H X>S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-1.3 0.979 109.4 42.6 -58.0 -60.1 53.2 49.5 -21.5 312 148 B Q H <5S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.825 113.9 55.0 -53.8 -38.6 54.8 53.0 -22.3 313 149 B Q H <5S+ 0 0 147 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.957 111.1 41.8 -58.8 -55.9 56.2 51.4 -25.5 314 150 B E H <5S- 0 0 112 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.766 114.8-118.8 -59.1 -31.0 52.8 50.2 -26.8 315 151 B G T <5S+ 0 0 42 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.418 85.3 113.1 98.4 2.3 51.3 53.5 -25.6 316 152 B S S > - 0 0 90 1,-0.1 4,-2.8 4,-0.1 3,-1.0 -0.227 29.2-127.1 -63.3 134.9 60.8 55.9 -15.4 323 159 B P H 3> S+ 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.880 106.3 54.1 -44.8 -53.4 59.6 52.3 -15.0 324 160 B D H 3> S+ 0 0 85 1,-0.2 4,-0.8 2,-0.2 -19,-0.1 0.807 114.5 44.3 -63.0 -24.7 61.9 51.3 -12.2 325 161 B V H <> S+ 0 0 27 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.912 114.1 46.5 -80.1 -49.6 60.6 54.3 -10.2 326 162 B L H X S+ 0 0 8 -4,-2.8 4,-3.2 1,-0.2 5,-0.3 0.967 107.8 57.1 -62.3 -48.1 57.0 53.9 -11.0 327 163 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.887 110.5 46.0 -40.8 -47.6 57.1 50.1 -10.2 328 164 B Q H X S+ 0 0 51 -4,-0.8 4,-3.2 -5,-0.3 5,-0.3 0.932 111.1 49.5 -70.0 -50.5 58.4 51.0 -6.7 329 165 B V H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.939 113.9 46.8 -52.4 -49.1 55.9 53.8 -6.0 330 166 B I H X S+ 0 0 0 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.961 115.3 46.4 -60.0 -43.7 53.0 51.5 -7.0 331 167 B Y H X S+ 0 0 3 -4,-2.6 4,-2.2 -5,-0.3 5,-0.2 0.924 113.3 46.3 -71.1 -42.2 54.4 48.6 -4.9 332 168 B Q H X S+ 0 0 2 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.905 110.4 55.1 -61.3 -41.4 55.1 50.6 -1.9 333 169 B X H X S+ 0 0 0 -4,-2.7 4,-3.1 -5,-0.3 5,-0.2 0.942 109.0 47.9 -57.4 -44.7 51.6 52.3 -2.1 334 170 B Y H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.895 109.0 51.7 -69.6 -39.9 49.9 48.9 -2.2 335 171 B L H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.926 114.1 45.5 -61.7 -39.6 51.9 47.5 0.8 336 172 B G H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.951 112.0 49.2 -69.3 -46.7 50.9 50.6 2.8 337 173 B A H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 13,-0.4 0.925 112.4 51.0 -52.2 -42.6 47.2 50.5 1.7 338 174 B A H X S+ 0 0 14 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.929 108.7 50.5 -69.2 -32.5 47.3 46.7 2.7 339 175 B L H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.960 113.1 44.9 -67.8 -47.0 48.7 47.5 6.1 340 176 B L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 6,-0.3 0.891 110.2 55.7 -68.1 -35.5 46.1 50.2 6.7 341 177 B S H X>S+ 0 0 4 -4,-3.2 4,-1.1 1,-0.2 5,-0.8 0.929 108.7 48.1 -58.7 -43.3 43.3 47.8 5.4 342 178 B K H <5S+ 0 0 48 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.929 115.3 44.6 -59.1 -44.4 44.3 45.2 7.9 343 179 B L H <5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.9 44.6 -70.2 -43.9 44.3 47.7 10.7 344 180 B Y H <5S- 0 0 13 -4,-2.5 -1,-0.2 2,-0.3 -2,-0.2 0.553 104.3-127.7 -73.2 -16.8 41.1 49.4 9.8 345 181 B K T <5S+ 0 0 140 -4,-1.1 2,-0.3 -3,-0.4 -3,-0.2 0.645 81.4 75.2 61.8 19.3 39.4 46.0 9.2 346 182 B H S > + 0 0 91 -2,-0.3 4,-2.7 1,-0.2 3,-0.5 0.282 69.0 115.8 -98.7 12.7 39.6 47.8 2.3 348 184 B A H 3> S+ 0 0 47 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.895 78.9 55.5 -51.0 -38.4 39.0 51.5 1.6 349 185 B P H 3> S+ 0 0 4 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.950 109.9 44.3 -59.3 -44.2 42.8 52.1 1.5 350 186 B L H <> S+ 0 0 2 -3,-0.5 4,-2.0 -13,-0.4 -2,-0.2 0.882 111.4 53.3 -70.1 -31.9 43.3 49.6 -1.2 351 187 B F H X S+ 0 0 110 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.937 110.8 47.6 -70.5 -40.4 40.2 50.9 -3.1 352 188 B Q H X S+ 0 0 43 -4,-3.2 4,-3.1 -5,-0.3 5,-0.3 0.959 107.6 56.7 -61.0 -39.4 41.8 54.3 -3.0 353 189 B A H X S+ 0 0 0 -4,-2.7 4,-1.6 -5,-0.3 -2,-0.2 0.882 106.1 49.4 -61.9 -34.3 45.1 52.8 -4.1 354 190 B L H X S+ 0 0 18 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.884 111.7 49.2 -68.5 -38.4 43.4 51.3 -7.3 355 191 B E H X S+ 0 0 100 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.952 110.8 49.4 -61.4 -47.1 41.9 54.7 -8.1 356 192 B S H X S+ 0 0 5 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.865 105.5 58.4 -64.5 -30.5 45.2 56.5 -7.6 357 193 B T H X S+ 0 0 0 -4,-1.6 4,-2.7 -5,-0.3 5,-0.3 0.930 99.6 56.4 -64.7 -44.5 46.9 54.0 -9.9 358 194 B K H X S+ 0 0 91 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.904 108.9 48.6 -50.4 -41.3 44.6 54.8 -12.8 359 195 B X H < S+ 0 0 119 -4,-1.3 3,-0.4 1,-0.2 -1,-0.2 0.882 111.9 48.0 -67.5 -38.6 45.8 58.5 -12.3 360 196 B X H < S+ 0 0 35 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.813 101.3 61.6 -78.0 -32.2 49.6 57.6 -12.2 361 197 B L H < 0 0 0 -4,-2.7 -43,-1.2 1,-0.3 -42,-0.8 0.744 360.0 360.0 -68.0 -16.5 49.4 55.3 -15.3 362 198 B D < 0 0 98 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.186 360.0 360.0 -97.9 360.0 48.4 58.6 -17.0