==== 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 20-DEC-07 3BR3 . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR QACR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.E.BROOKS . 368 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 295 80.2 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 . 11 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 250 67.9 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 0 0 0 3 1 0 1 1 0 0 1 1 0 0 4 2 0 0 0 2 0 0 0 2 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 4 B K >> 0 0 65 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -59.4 46.6 -15.8 -26.9 2 5 B D H 3> + 0 0 138 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.811 360.0 60.2 -61.5 -31.9 43.5 -17.7 -25.6 3 6 B K H 3> S+ 0 0 63 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.854 108.4 44.0 -60.4 -37.8 45.9 -20.3 -24.3 4 7 B I H <> S+ 0 0 13 -3,-0.6 4,-1.8 2,-0.1 -2,-0.2 0.866 111.9 52.1 -76.3 -38.4 47.6 -17.7 -22.1 5 8 B L H X S+ 0 0 21 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.933 107.1 49.3 -66.5 -50.2 44.4 -16.1 -20.9 6 9 B G H X S+ 0 0 37 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.897 114.1 45.0 -58.9 -46.1 42.6 -19.2 -19.6 7 10 B V H X S+ 0 0 41 -4,-0.9 4,-1.9 -5,-0.2 -1,-0.2 0.874 113.9 51.2 -64.9 -38.6 45.6 -20.4 -17.6 8 11 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.943 109.2 52.4 -59.7 -47.0 46.0 -16.9 -16.3 9 12 B K H X S+ 0 0 29 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.937 112.9 40.5 -55.0 -55.0 42.4 -16.8 -15.3 10 13 B E H X S+ 0 0 108 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.831 112.4 55.0 -71.5 -33.4 42.4 -20.0 -13.3 11 14 B L H X S+ 0 0 18 -4,-1.9 4,-2.5 2,-0.2 5,-0.4 0.881 110.8 46.3 -65.0 -39.2 45.8 -19.4 -11.7 12 15 B F H X S+ 0 0 2 -4,-2.2 4,-1.5 3,-0.2 -2,-0.2 0.859 112.0 51.7 -69.1 -36.8 44.5 -16.0 -10.4 13 16 B I H < S+ 0 0 28 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.897 119.1 35.4 -64.0 -40.3 41.3 -17.7 -9.2 14 17 B K H < S+ 0 0 132 -4,-2.2 277,-0.2 -5,-0.1 -2,-0.2 0.861 136.8 15.8 -84.5 -39.7 43.2 -20.3 -7.2 15 18 B N H X S- 0 0 35 -4,-2.5 4,-0.5 1,-0.2 -3,-0.2 0.469 97.4-129.3-117.1 -7.3 46.3 -18.4 -6.0 16 19 B G H X - 0 0 0 -4,-1.5 4,-0.8 -5,-0.4 -1,-0.2 -0.190 41.9 -58.8 77.1-175.1 45.4 -14.7 -6.4 17 20 B Y H >4 S+ 0 0 5 2,-0.2 3,-0.8 1,-0.2 -1,-0.1 0.981 125.4 42.9 -72.3 -63.1 47.5 -12.1 -8.1 18 21 B N H 34 S+ 0 0 39 1,-0.2 -1,-0.2 77,-0.1 -2,-0.1 0.826 112.7 52.5 -56.5 -40.9 50.9 -11.9 -6.3 19 22 B A H 3< S+ 0 0 28 -4,-0.5 2,-0.8 -7,-0.1 -1,-0.2 0.768 91.9 83.4 -71.5 -27.8 51.4 -15.6 -6.0 20 23 B T S << S- 0 0 0 -4,-0.8 2,-0.2 -3,-0.8 -1,-0.0 -0.709 72.4-157.8 -79.7 110.7 50.8 -16.2 -9.7 21 24 B T > - 0 0 76 -2,-0.8 4,-1.6 1,-0.1 3,-0.2 -0.607 25.5-122.6 -89.9 152.0 54.1 -15.6 -11.4 22 25 B T H > S+ 0 0 67 1,-0.2 4,-2.5 -2,-0.2 5,-0.2 0.872 113.8 55.9 -56.6 -41.0 54.5 -14.7 -15.1 23 26 B G H > S+ 0 0 47 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 103.1 52.7 -58.4 -44.7 56.8 -17.7 -15.5 24 27 B E H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.840 110.8 47.9 -63.7 -34.9 54.2 -20.2 -14.1 25 28 B I H X S+ 0 0 4 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.949 114.7 45.4 -66.9 -49.2 51.7 -18.8 -16.7 26 29 B V H <>S+ 0 0 23 -4,-2.5 5,-1.8 1,-0.2 -2,-0.2 0.773 112.8 54.5 -62.3 -28.8 54.3 -19.2 -19.4 27 30 B K H ><5S+ 0 0 165 -4,-2.3 3,-1.0 3,-0.2 -2,-0.2 0.970 115.3 32.9 -70.2 -58.3 55.2 -22.7 -18.1 28 31 B L H 3<5S+ 0 0 101 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.1 0.754 116.7 56.7 -74.8 -25.9 51.7 -24.3 -18.1 29 32 B S T 3<5S- 0 0 11 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.193 105.0-126.4 -93.6 15.6 50.6 -22.4 -21.2 30 33 B E T < 5 + 0 0 176 -3,-1.0 2,-0.3 1,-0.1 -3,-0.2 0.869 67.1 112.8 44.0 61.0 53.5 -23.7 -23.4 31 34 B S < - 0 0 56 -5,-1.8 -1,-0.1 -6,-0.1 -2,-0.1 -0.990 65.2 -99.2-157.9 154.9 54.8 -20.3 -24.5 32 35 B S > - 0 0 64 -2,-0.3 4,-1.1 1,-0.1 5,-0.1 -0.183 29.0-117.9 -72.1 164.3 57.7 -17.9 -24.2 33 36 B K H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.779 120.4 54.1 -67.5 -29.3 58.0 -14.8 -21.9 34 37 B G H 4 S+ 0 0 54 2,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.683 101.7 56.8 -76.3 -22.3 58.4 -12.9 -25.2 35 38 B N H > S+ 0 0 63 1,-0.2 4,-0.6 3,-0.1 -2,-0.2 0.796 104.7 51.1 -78.1 -30.6 55.2 -14.4 -26.6 36 39 B L H X S+ 0 0 20 -4,-1.1 4,-2.7 3,-0.1 5,-0.5 0.867 105.0 69.2 -70.8 -39.8 53.2 -13.0 -23.6 37 40 B Y H < S+ 0 0 130 -4,-1.2 2,-1.6 3,-0.2 5,-0.1 -0.385 99.4 31.8 -65.1 156.7 54.8 -9.7 -24.3 38 41 B Y H 4 S+ 0 0 72 1,-0.2 -1,-0.2 -2,-0.1 -2,-0.1 -0.290 124.0 51.0 81.6 -51.5 53.5 -8.1 -27.6 39 42 B H H < S- 0 0 114 -2,-1.6 -2,-0.2 -4,-0.6 -1,-0.2 0.898 140.1 -2.2 -73.1 -45.3 50.2 -9.8 -26.9 40 43 B F S < S- 0 0 5 -4,-2.7 2,-3.0 -5,-0.1 -3,-0.2 0.511 74.8-157.9-126.4 -10.8 49.9 -8.4 -23.4 41 44 B K S S+ 0 0 119 -5,-0.5 2,-0.3 -7,-0.1 -4,-0.1 -0.321 72.3 22.1 62.3 -67.4 53.2 -6.4 -22.6 42 45 B T S > S- 0 0 71 -2,-3.0 4,-2.5 -6,-0.1 5,-0.1 -0.895 75.3-116.1-132.8 158.4 52.8 -6.8 -18.8 43 46 B K H > S+ 0 0 45 -2,-0.3 4,-2.1 2,-0.2 5,-0.1 0.836 117.2 51.6 -57.9 -39.6 51.2 -8.9 -16.2 44 47 B E H > S+ 0 0 26 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 110.8 48.0 -65.6 -44.4 49.1 -6.0 -15.0 45 48 B N H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.875 109.6 53.6 -63.4 -37.5 47.9 -5.4 -18.5 46 49 B L H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.916 109.0 49.7 -57.1 -44.9 47.2 -9.1 -18.9 47 50 B F H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.900 108.5 51.0 -65.2 -43.1 45.0 -8.9 -15.7 48 51 B L H X S+ 0 0 15 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.839 108.1 53.1 -64.7 -33.7 43.0 -5.9 -16.9 49 52 B E H X S+ 0 0 73 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.870 108.1 50.9 -69.6 -35.4 42.3 -7.6 -20.2 50 53 B I H X S+ 0 0 6 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.924 110.9 48.1 -64.7 -44.0 40.9 -10.6 -18.3 51 54 B L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.863 108.9 54.1 -65.7 -38.5 38.7 -8.4 -16.2 52 55 B N H X S+ 0 0 91 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.935 112.8 43.0 -57.1 -49.4 37.4 -6.6 -19.3 53 56 B I H X S+ 0 0 65 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.919 112.3 54.1 -63.4 -44.9 36.4 -10.0 -20.9 54 57 B E H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.884 106.7 51.0 -58.4 -42.2 34.9 -11.2 -17.6 55 58 B E H X S+ 0 0 5 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.911 111.7 47.4 -64.2 -42.1 32.7 -8.2 -17.3 56 59 B S H X S+ 0 0 49 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.956 112.1 48.6 -61.6 -53.2 31.4 -8.6 -20.8 57 60 B K H X S+ 0 0 87 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.941 115.4 45.3 -53.6 -50.2 30.7 -12.3 -20.4 58 61 B W H X S+ 0 0 5 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.922 113.1 51.3 -55.5 -47.5 28.9 -11.6 -17.1 59 62 B Q H X S+ 0 0 97 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.896 112.1 45.4 -60.2 -43.8 27.0 -8.7 -18.7 60 63 B E H X S+ 0 0 125 -4,-3.2 4,-2.0 2,-0.2 5,-0.2 0.922 110.8 54.0 -63.6 -46.4 25.9 -10.9 -21.6 61 64 B Q H X S+ 0 0 52 -4,-2.7 4,-1.4 -5,-0.3 -2,-0.2 0.890 113.8 41.8 -55.7 -42.3 24.9 -13.7 -19.2 62 65 B W H X S+ 0 0 18 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.866 106.3 62.5 -75.7 -38.7 22.8 -11.3 -17.3 63 66 B K H < S+ 0 0 158 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.902 113.4 36.4 -48.5 -45.0 21.3 -9.6 -20.4 64 67 B S H < S+ 0 0 75 -4,-2.0 4,-0.3 2,-0.1 -1,-0.2 0.810 118.2 51.0 -80.7 -30.5 19.8 -13.0 -21.4 65 68 B E H >< S+ 0 0 36 -4,-1.4 3,-2.3 -5,-0.2 4,-0.2 0.910 96.5 63.7 -77.5 -43.9 18.9 -14.1 -17.9 66 69 B Q G >< S+ 0 0 54 -4,-2.7 3,-2.2 1,-0.3 -1,-0.2 0.783 88.4 72.2 -54.0 -30.2 17.0 -11.0 -16.6 67 70 B I G 3 S+ 0 0 135 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.841 88.0 65.8 -50.8 -34.1 14.3 -11.6 -19.2 68 71 B K G < S+ 0 0 145 -3,-2.3 2,-0.6 -4,-0.3 -1,-0.3 0.574 90.8 71.5 -68.3 -12.4 13.3 -14.6 -17.1 69 72 B A < - 0 0 7 -3,-2.2 6,-0.1 -4,-0.2 -1,-0.1 -0.930 63.2-165.8-111.5 115.2 12.2 -12.4 -14.2 70 73 B K S S+ 0 0 183 -2,-0.6 -1,-0.2 4,-0.1 2,-0.1 0.991 71.8 40.3 -59.9 -69.4 9.0 -10.4 -14.7 71 74 B T S > S- 0 0 35 1,-0.1 4,-1.3 65,-0.0 3,-0.2 -0.365 83.4-120.2 -83.6 161.4 9.1 -7.8 -11.9 72 75 B N H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.746 113.2 64.6 -72.5 -24.9 12.2 -6.0 -10.7 73 76 B R H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 106.2 43.7 -58.0 -44.6 11.8 -7.5 -7.3 74 77 B E H > S+ 0 0 72 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.800 107.7 59.0 -70.2 -31.5 12.3 -10.9 -8.9 75 78 B K H X S+ 0 0 38 -4,-1.3 4,-3.0 2,-0.2 5,-0.2 0.874 105.5 50.4 -66.5 -36.0 15.3 -9.5 -10.9 76 79 B F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.959 113.1 44.4 -62.4 -54.8 17.0 -8.6 -7.6 77 80 B Y H X S+ 0 0 46 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.955 118.6 44.3 -51.3 -56.0 16.5 -12.1 -6.2 78 81 B L H X S+ 0 0 34 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.896 110.7 51.9 -62.0 -49.6 17.6 -13.7 -9.4 79 82 B Y H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.935 111.2 49.6 -50.2 -49.6 20.6 -11.5 -10.1 80 83 B N H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.836 110.5 49.5 -62.0 -36.5 21.8 -12.2 -6.6 81 84 B E H >X S+ 0 0 65 -4,-1.8 4,-1.5 -5,-0.2 3,-0.8 0.878 108.3 53.6 -69.0 -39.0 21.3 -16.0 -7.1 82 85 B L H 3X S+ 0 0 14 -4,-2.5 4,-3.4 1,-0.2 -2,-0.2 0.877 97.1 64.6 -64.4 -37.6 23.2 -15.9 -10.4 83 86 B S H 3< S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.779 104.6 48.7 -58.0 -27.4 26.2 -14.2 -8.8 84 87 B L H << S+ 0 0 18 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.957 119.3 35.2 -70.3 -53.7 26.6 -17.4 -6.8 85 88 B T H < S+ 0 0 75 -4,-1.5 -2,-0.2 80,-0.0 -3,-0.1 0.738 94.5 105.2 -77.4 -26.1 26.4 -19.8 -9.7 86 89 B T < - 0 0 11 -4,-3.4 -28,-0.0 -5,-0.1 -3,-0.0 -0.068 56.7-152.7 -61.8 155.6 28.1 -17.8 -12.4 87 90 B Q S S+ 0 0 117 3,-0.1 2,-0.5 -33,-0.0 -1,-0.1 0.424 71.3 91.7-100.0 -2.7 31.6 -18.6 -13.6 88 91 B Y S S- 0 0 39 -31,-0.1 2,-2.3 1,-0.1 -2,-0.1 -0.821 99.6 -30.7-104.8 128.6 32.2 -14.9 -14.6 89 92 B Y S > S+ 0 0 4 -2,-0.5 3,-1.4 1,-0.2 4,-0.2 -0.282 117.6 74.2 80.3 -56.5 33.7 -12.1 -12.6 90 93 B Y G > S+ 0 0 10 -2,-2.3 3,-1.1 1,-0.3 4,-0.3 0.806 89.3 59.5 -64.7 -32.6 32.7 -13.2 -9.0 91 94 B P G 3 S+ 0 0 39 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.627 105.2 52.3 -68.4 -11.1 35.2 -16.0 -8.8 92 95 B L G <> S+ 0 0 1 -3,-1.4 4,-2.6 1,-0.1 3,-0.2 0.337 75.3 105.0-102.6 4.8 38.0 -13.4 -9.4 93 96 B Q H <> S+ 0 0 3 -3,-1.1 4,-3.0 1,-0.2 5,-0.3 0.869 76.8 54.8 -59.0 -42.7 37.0 -11.0 -6.6 94 97 B N H > S+ 0 0 6 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.940 112.9 43.0 -53.2 -50.6 39.8 -12.0 -4.3 95 98 B A H > S+ 0 0 1 2,-0.2 4,-3.3 -3,-0.2 5,-0.2 0.873 111.7 55.6 -63.5 -39.7 42.4 -11.3 -7.0 96 99 B I H X S+ 0 0 1 -4,-2.6 4,-3.7 2,-0.2 -2,-0.2 0.959 111.6 41.6 -60.0 -53.0 40.5 -8.0 -8.0 97 100 B I H X S+ 0 0 7 -4,-3.0 4,-1.9 2,-0.2 -1,-0.2 0.854 115.6 52.3 -63.3 -32.7 40.7 -6.6 -4.4 98 101 B E H X S+ 0 0 2 -4,-2.0 4,-0.9 -5,-0.3 -2,-0.2 0.930 116.8 38.5 -65.9 -44.2 44.3 -7.9 -4.2 99 102 B F H X S+ 0 0 0 -4,-3.3 4,-1.8 2,-0.2 -2,-0.2 0.877 113.2 57.4 -71.3 -40.1 45.2 -6.1 -7.5 100 103 B Y H < S+ 0 0 21 -4,-3.7 4,-0.4 -5,-0.2 -2,-0.2 0.932 103.8 50.5 -57.3 -50.0 43.1 -3.1 -6.7 101 104 B T H < S+ 0 0 37 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.794 111.5 47.6 -67.1 -30.4 44.8 -2.2 -3.4 102 105 B E H >< S+ 0 0 72 -4,-0.9 3,-0.6 -3,-0.2 -1,-0.2 0.963 120.7 32.8 -71.7 -54.1 48.4 -2.3 -4.9 103 106 B Y T 3< S+ 0 0 78 -4,-1.8 6,-0.2 1,-0.2 -1,-0.2 0.072 83.4 105.6 -97.0 22.1 47.8 -0.3 -8.0 104 107 B Y T 3 S+ 0 0 123 -4,-0.4 -1,-0.2 -3,-0.3 -3,-0.1 0.773 78.7 58.8 -70.6 -22.7 45.2 2.2 -6.7 105 108 B K S < S+ 0 0 173 -3,-0.6 2,-0.5 -4,-0.2 -1,-0.2 0.890 91.5 75.6 -70.3 -41.1 48.0 4.8 -6.6 106 109 B T > - 0 0 56 -4,-0.2 4,-1.2 1,-0.1 3,-0.4 -0.648 68.8-163.8 -74.3 119.0 48.6 4.4 -10.4 107 110 B N H > S+ 0 0 119 -2,-0.5 4,-2.0 1,-0.2 5,-0.3 0.676 76.4 75.6 -82.6 -21.0 45.7 6.2 -12.1 108 111 B S H > S+ 0 0 86 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.890 114.6 23.6 -54.2 -42.3 46.2 4.7 -15.6 109 112 B I H > S+ 0 0 22 -3,-0.4 4,-1.6 -6,-0.2 -2,-0.2 0.637 115.0 66.4-103.9 -18.4 44.6 1.5 -14.3 110 113 B N H X S+ 0 0 24 -4,-1.2 4,-2.2 2,-0.2 3,-0.5 0.976 103.8 47.0 -59.9 -56.2 42.6 2.9 -11.4 111 114 B E H X S+ 0 0 61 -4,-2.0 4,-2.5 1,-0.3 -1,-0.2 0.897 110.4 53.6 -51.5 -45.7 40.3 4.7 -13.8 112 115 B K H X S+ 0 0 119 -4,-0.5 4,-1.8 -5,-0.3 -1,-0.3 0.864 109.1 48.6 -58.1 -38.1 40.0 1.6 -15.8 113 116 B M H X S+ 0 0 12 -4,-1.6 4,-2.3 -3,-0.5 -1,-0.2 0.818 108.7 51.6 -76.4 -32.2 38.9 -0.4 -12.7 114 117 B N H X S+ 0 0 60 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.890 107.5 54.9 -65.3 -41.5 36.3 2.3 -11.8 115 118 B K H X S+ 0 0 52 -4,-2.5 4,-1.2 -5,-0.2 -2,-0.2 0.940 112.9 41.3 -52.8 -49.9 35.0 1.9 -15.3 116 119 B L H X S+ 0 0 21 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.847 114.0 54.2 -66.9 -35.2 34.7 -1.8 -14.7 117 120 B E H X S+ 0 0 13 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.914 102.9 55.8 -65.1 -44.2 33.3 -1.1 -11.2 118 121 B N H X S+ 0 0 107 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.863 106.9 49.2 -57.3 -40.2 30.6 1.2 -12.5 119 122 B K H X S+ 0 0 119 -4,-1.2 4,-1.2 2,-0.2 -1,-0.2 0.886 106.9 54.4 -68.9 -40.4 29.1 -1.4 -14.9 120 123 B Y H < S+ 0 0 0 -4,-1.4 4,-0.2 1,-0.2 -1,-0.2 0.753 115.9 40.8 -64.6 -25.7 29.0 -4.1 -12.2 121 124 B I H >X S+ 0 0 27 -4,-1.3 3,-1.5 -3,-0.1 4,-1.4 0.796 100.2 72.6 -86.3 -36.4 27.0 -1.7 -10.0 122 125 B D H 3X S+ 0 0 87 -4,-2.3 4,-2.5 1,-0.3 5,-0.2 0.833 84.9 67.3 -53.1 -38.3 24.8 -0.4 -12.9 123 126 B A H 3X S+ 0 0 16 -4,-1.2 4,-1.8 1,-0.2 -1,-0.3 0.903 105.2 43.7 -43.9 -46.6 22.9 -3.7 -13.0 124 127 B Y H <> S+ 0 0 0 -3,-1.5 4,-2.5 -4,-0.2 5,-0.3 0.877 107.7 58.9 -71.2 -39.1 21.5 -2.7 -9.6 125 128 B H H X S+ 0 0 47 -4,-1.4 4,-3.3 2,-0.2 5,-0.3 0.941 107.8 46.2 -52.2 -50.7 20.9 0.9 -10.6 126 129 B V H X S+ 0 0 63 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.963 111.1 51.8 -60.3 -54.0 18.5 -0.3 -13.5 127 130 B I H X S+ 0 0 3 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.890 117.3 38.8 -46.6 -48.6 16.7 -2.7 -11.2 128 131 B F H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.888 115.1 51.4 -76.7 -39.9 16.0 -0.0 -8.6 129 132 B K H X S+ 0 0 114 -4,-3.3 4,-1.7 -5,-0.3 -2,-0.2 0.897 114.2 46.0 -60.2 -40.7 15.3 2.8 -11.1 130 133 B E H X S+ 0 0 67 -4,-3.2 4,-2.3 -5,-0.3 -2,-0.2 0.907 109.3 53.5 -69.6 -44.4 12.8 0.5 -12.8 131 134 B G H <>S+ 0 0 0 -4,-2.2 5,-2.0 -5,-0.3 6,-0.6 0.937 107.5 52.8 -52.9 -49.4 11.2 -0.6 -9.5 132 135 B N H ><5S+ 0 0 52 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.928 110.8 46.9 -48.8 -50.4 10.7 3.1 -8.7 133 136 B L H 3<5S+ 0 0 121 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.840 114.2 46.2 -66.5 -35.8 9.0 3.6 -12.1 134 137 B N T 3<5S- 0 0 110 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.082 113.5-112.6 -98.7 21.5 6.7 0.6 -11.7 135 138 B G T < 5S+ 0 0 67 -3,-1.2 -3,-0.2 2,-0.2 -4,-0.1 0.630 77.5 128.7 66.7 18.4 5.7 1.3 -8.1 136 139 B E S + 0 0 84 1,-0.1 4,-2.3 2,-0.1 -1,-0.2 -0.685 60.5 164.7-132.8 79.6 19.0 7.5 -3.6 142 145 B V H > S+ 0 0 18 -3,-0.3 4,-2.0 -2,-0.3 5,-0.2 0.825 78.2 59.6 -61.6 -33.4 19.2 4.7 -6.1 143 146 B N H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.933 108.5 42.3 -62.4 -46.8 22.9 5.3 -6.5 144 147 B A H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.952 115.7 48.4 -65.0 -49.6 23.6 4.7 -2.8 145 148 B V H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.798 111.4 52.0 -63.5 -30.1 21.3 1.7 -2.5 146 149 B S H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.956 109.2 48.5 -67.6 -52.0 22.9 0.2 -5.7 147 150 B K H X S+ 0 0 59 -4,-2.3 4,-2.0 1,-0.2 5,-0.2 0.913 115.4 45.8 -52.0 -46.5 26.4 0.6 -4.2 148 151 B I H X S+ 0 0 2 -4,-2.5 4,-3.1 2,-0.2 5,-0.3 0.946 112.3 49.1 -65.2 -52.6 25.3 -1.0 -1.0 149 152 B A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.937 111.3 49.8 -52.2 -51.9 23.4 -3.9 -2.6 150 153 B A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.961 116.8 39.3 -54.8 -56.6 26.3 -4.8 -4.9 151 154 B N H X S+ 0 0 4 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.853 114.0 53.5 -67.5 -35.8 29.0 -4.9 -2.2 152 155 B A H X S+ 0 0 0 -4,-3.1 4,-2.0 -5,-0.2 -1,-0.2 0.965 115.2 41.8 -58.9 -51.8 26.7 -6.6 0.4 153 156 B V H X S+ 0 0 0 -4,-2.8 4,-3.0 -5,-0.3 -2,-0.2 0.917 111.3 54.0 -60.2 -47.1 26.0 -9.3 -2.2 154 157 B N H X S+ 0 0 0 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.843 108.3 54.2 -58.5 -32.1 29.6 -9.5 -3.3 155 158 B G H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.2 5,-0.4 0.921 108.8 45.0 -64.5 -49.2 30.3 -10.0 0.4 156 159 B I H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.943 116.3 47.6 -59.9 -48.0 27.9 -12.9 0.7 157 160 B V H < S+ 0 0 12 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.936 119.2 36.5 -60.5 -50.5 29.3 -14.5 -2.5 158 161 B T H < S+ 0 0 21 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.881 125.0 33.6 -73.7 -41.2 33.0 -14.1 -1.7 159 162 B F H < 0 0 14 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.707 360.0 360.0 -96.6 -25.3 33.1 -14.8 2.1 160 163 B T < 0 0 32 -4,-1.7 -3,-0.1 -5,-0.4 -2,-0.1 0.974 360.0 360.0 -62.0 360.0 30.4 -17.3 2.9 161 ! 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 0.0 162 165 B E 0 0 151 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.8 33.8 -26.4 -0.2 163 166 B Q - 0 0 95 0, 0.0 2,-0.2 0, 0.0 5,-0.0 -0.810 360.0 -99.4-168.7 135.4 30.3 -25.1 0.6 164 167 B N > - 0 0 91 -2,-0.2 4,-1.7 1,-0.1 5,-0.1 -0.391 27.1-149.1 -62.9 125.5 26.9 -26.5 -0.2 165 168 B I H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.848 94.9 51.2 -68.5 -36.7 25.5 -24.7 -3.3 166 169 B N H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.868 109.1 51.8 -67.2 -36.2 21.9 -25.1 -2.3 167 170 B E H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.876 106.5 53.2 -67.8 -38.8 22.6 -23.7 1.2 168 171 B R H X S+ 0 0 42 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.890 108.6 50.5 -62.1 -40.0 24.3 -20.6 -0.3 169 172 B I H X S+ 0 0 27 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.892 109.0 50.9 -65.3 -41.2 21.2 -20.0 -2.4 170 173 B K H X S+ 0 0 127 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.941 112.2 47.2 -60.2 -47.9 19.0 -20.3 0.7 171 174 B L H X S+ 0 0 17 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.895 113.6 47.9 -59.2 -42.5 21.2 -17.8 2.5 172 175 B M H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.892 109.3 52.0 -68.4 -42.5 21.2 -15.4 -0.5 173 176 B N H X S+ 0 0 55 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.858 109.5 51.8 -59.9 -35.8 17.4 -15.6 -0.9 174 177 B K H X S+ 0 0 87 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.918 110.9 46.5 -67.7 -43.9 17.1 -14.7 2.8 175 178 B F H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.958 111.5 52.1 -57.3 -51.0 19.4 -11.7 2.3 176 179 B S H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.889 112.1 46.8 -53.8 -45.8 17.5 -10.7 -0.8 177 180 B Q H X S+ 0 0 80 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.936 112.8 47.7 -60.7 -51.3 14.2 -10.9 1.2 178 181 B I H X S+ 0 0 3 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.920 114.2 48.0 -60.3 -42.7 15.6 -9.0 4.2 179 182 B F H >X S+ 0 0 0 -4,-3.4 3,-1.3 1,-0.2 4,-1.0 0.977 111.8 46.4 -64.1 -55.3 17.0 -6.2 2.0 180 183 B L H >X S+ 0 0 6 -4,-2.4 4,-1.2 1,-0.3 3,-0.6 0.853 112.3 50.9 -58.5 -37.1 13.9 -5.6 -0.2 181 184 B N H 3< S+ 0 0 72 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.659 101.8 62.7 -76.1 -16.0 11.6 -5.5 2.8 182 185 B G H << S+ 0 0 4 -3,-1.3 -1,-0.2 -4,-0.9 -2,-0.2 0.718 102.4 50.2 -75.2 -25.0 14.0 -3.0 4.4 183 186 B L H << 0 0 29 -4,-1.0 -45,-0.2 -3,-0.6 -2,-0.2 0.851 360.0 360.0 -73.4 -38.4 13.2 -0.7 1.5 184 187 B S < 0 0 98 -4,-1.2 -3,-0.1 -47,-0.1 -47,-0.1 0.372 360.0 360.0 -89.2 360.0 9.4 -1.3 2.1 185 !* 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 0.0 186 3 A L > 0 0 109 0, 0.0 4,-1.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-107.2 61.8 -15.5 22.1 187 4 A K H > + 0 0 24 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.857 360.0 56.1 -61.1 -34.1 58.6 -16.7 20.4 188 5 A D H > S+ 0 0 126 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.820 99.3 57.1 -70.1 -34.7 57.3 -13.2 20.9 189 6 A K H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.836 106.7 50.2 -66.1 -33.7 60.2 -11.5 19.1 190 7 A I H X S+ 0 0 4 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.916 113.6 44.5 -70.5 -44.3 59.5 -13.5 16.0 191 8 A L H X S+ 0 0 23 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.889 113.1 53.4 -63.0 -41.5 55.8 -12.6 16.1 192 9 A G H X S+ 0 0 40 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.951 114.2 38.8 -59.2 -53.8 56.7 -9.0 16.8 193 10 A V H X S+ 0 0 38 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.861 111.3 58.5 -66.9 -40.3 59.0 -8.6 13.8 194 11 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.904 104.3 52.2 -58.4 -42.9 56.8 -10.6 11.5 195 12 A K H X S+ 0 0 64 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.959 110.9 47.3 -55.5 -51.2 53.9 -8.2 12.1 196 13 A E H X S+ 0 0 124 -4,-1.5 4,-3.6 2,-0.2 -2,-0.2 0.912 113.6 46.7 -60.6 -45.7 56.1 -5.2 11.2 197 14 A L H X>S+ 0 0 21 -4,-2.6 4,-3.2 2,-0.2 5,-0.7 0.930 113.1 49.1 -62.7 -46.0 57.5 -6.8 8.1 198 15 A F H X5S+ 0 0 3 -4,-2.9 4,-1.0 -5,-0.2 -1,-0.2 0.863 116.2 44.9 -59.7 -35.7 54.0 -7.8 7.0 199 16 A I H <5S+ 0 0 54 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 119.3 40.6 -72.1 -47.3 52.9 -4.2 7.7 200 17 A K H <5S+ 0 0 161 -4,-3.6 -2,-0.2 -5,-0.2 -3,-0.2 0.966 138.0 8.8 -65.4 -54.7 55.9 -2.6 6.0 201 18 A N H <5S- 0 0 75 -4,-3.2 4,-0.5 1,-0.3 -3,-0.2 0.423 103.2-114.7-115.5 -2.0 56.2 -4.9 2.9 202 19 A G X< - 0 0 10 -4,-1.0 4,-0.6 -5,-0.7 -1,-0.3 -0.252 36.1 -73.6 90.9 178.1 53.1 -7.2 2.9 203 20 A Y T 4 S+ 0 0 0 77,-0.2 -1,-0.1 2,-0.1 78,-0.1 0.901 123.2 47.1 -79.6 -45.7 52.7 -10.9 3.3 204 21 A N T 4 S+ 0 0 42 1,-0.2 -2,-0.1 -6,-0.1 -1,-0.1 0.903 113.9 44.8 -67.7 -44.4 54.0 -12.2 -0.0 205 22 A A T 4 S+ 0 0 62 -4,-0.5 2,-0.4 -7,-0.1 -1,-0.2 0.727 94.8 91.2 -74.7 -23.7 57.2 -10.1 -0.2 206 23 A T < - 0 0 0 -4,-0.6 2,-0.2 -8,-0.1 -8,-0.0 -0.632 65.8-162.5 -73.7 125.3 58.0 -10.9 3.4 207 24 A T > - 0 0 62 -2,-0.4 4,-1.6 1,-0.1 5,-0.1 -0.570 30.8-119.3-105.0 169.3 60.2 -14.0 3.6 208 25 A T H > S+ 0 0 43 2,-0.2 4,-2.6 -2,-0.2 5,-0.1 0.837 114.7 58.0 -74.4 -33.4 61.1 -16.4 6.5 209 26 A G H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.890 105.4 49.0 -61.5 -44.0 64.8 -15.5 6.1 210 27 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.964 112.4 47.7 -57.0 -53.9 64.0 -11.8 6.6 211 28 A I H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.886 112.6 52.0 -54.6 -43.1 62.0 -12.6 9.8 212 29 A V H <>S+ 0 0 19 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.939 109.6 44.4 -59.0 -55.9 64.8 -14.9 11.0 213 30 A K H ><5S+ 0 0 164 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.895 115.1 47.4 -62.9 -43.4 67.8 -12.4 10.7 214 31 A L H 3<5S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.720 111.7 51.9 -72.1 -22.3 65.9 -9.5 12.2 215 32 A S T 3<5S- 0 0 16 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.434 109.2-122.7 -90.9 -1.9 64.7 -11.7 15.1 216 33 A E T < 5S+ 0 0 178 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.759 79.0 108.7 64.7 27.0 68.2 -12.9 15.8 217 34 A S < - 0 0 38 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.2 -0.156 64.1-112.5-115.3-160.7 66.8 -16.4 15.3 218 35 A S > - 0 0 59 -3,-0.1 4,-1.9 -2,-0.1 5,-0.1 -0.931 25.3-111.9-137.0 166.0 67.0 -19.2 12.7 219 36 A K H > S+ 0 0 135 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.781 117.6 59.9 -64.2 -29.7 64.8 -21.0 10.1 220 37 A G H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 105.7 44.9 -62.3 -50.1 65.0 -24.1 12.3 221 38 A N H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.907 111.5 52.9 -62.2 -44.8 63.5 -22.3 15.3 222 39 A L H X S+ 0 0 6 -4,-1.9 4,-3.0 1,-0.2 5,-0.4 0.960 109.7 48.7 -53.6 -54.2 60.7 -20.7 13.2 223 40 A Y H X S+ 0 0 172 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.904 110.7 52.4 -52.3 -46.3 59.8 -24.1 11.8 224 41 A Y H < S+ 0 0 179 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.893 118.3 34.0 -58.8 -45.7 59.7 -25.6 15.4 225 42 A H H < S+ 0 0 75 -4,-2.3 -2,-0.2 -3,-0.1 -1,-0.2 0.906 138.8 12.1 -78.5 -44.7 57.4 -22.9 16.8 226 43 A F H < S- 0 0 5 -4,-3.0 2,-2.0 -5,-0.2 5,-0.3 0.248 77.9-148.8-125.3 9.2 55.1 -22.1 13.9 227 44 A K S < S+ 0 0 49 -4,-2.2 2,-0.2 -5,-0.4 -1,-0.2 -0.306 74.4 22.5 57.4 -79.0 55.7 -24.8 11.2 228 45 A T S > S- 0 0 54 -2,-2.0 4,-1.3 1,-0.1 5,-0.1 -0.578 78.4-114.1-111.7 171.2 55.0 -22.7 8.1 229 46 A K H > S+ 0 0 36 -2,-0.2 4,-1.9 2,-0.2 5,-0.1 0.860 118.9 56.5 -66.8 -36.2 55.0 -19.0 7.3 230 47 A E H > S+ 0 0 41 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.882 105.9 47.9 -64.9 -41.0 51.2 -19.3 6.8 231 48 A N H > S+ 0 0 32 -5,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.829 107.1 56.6 -71.3 -33.6 50.7 -20.7 10.3 232 49 A L H X S+ 0 0 0 -4,-1.3 4,-1.7 -6,-0.2 -2,-0.2 0.927 106.3 51.5 -58.4 -46.5 52.8 -17.9 11.9 233 50 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.808 106.8 52.9 -63.1 -32.8 50.5 -15.4 10.2 234 51 A L H X S+ 0 0 8 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.859 105.7 54.1 -70.0 -37.4 47.4 -17.2 11.7 235 52 A E H X S+ 0 0 78 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.870 109.5 48.8 -61.8 -38.7 49.0 -16.9 15.2 236 53 A I H X S+ 0 0 6 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.896 111.0 49.4 -66.8 -42.6 49.3 -13.2 14.6 237 54 A L H X S+ 0 0 10 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.878 108.2 54.3 -65.6 -38.4 45.7 -12.9 13.5 238 55 A N H X S+ 0 0 59 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.950 109.7 46.4 -57.0 -50.5 44.6 -14.8 16.5 239 56 A I H X S+ 0 0 95 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.911 113.1 50.1 -58.9 -43.0 46.4 -12.3 18.8 240 57 A E H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.862 105.9 56.7 -62.2 -37.2 44.9 -9.5 16.8 241 58 A E H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.898 105.6 50.9 -60.8 -41.8 41.4 -11.0 17.2 242 59 A S H X S+ 0 0 68 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.888 109.4 49.4 -63.1 -42.2 41.7 -11.0 20.9 243 60 A K H X S+ 0 0 60 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.906 111.8 49.8 -63.6 -41.7 42.7 -7.3 20.9 244 61 A W H X S+ 0 0 28 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.891 108.3 53.0 -61.4 -41.8 39.7 -6.6 18.7 245 62 A Q H X S+ 0 0 76 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.895 108.9 49.2 -63.4 -40.1 37.5 -8.6 21.1 246 63 A E H X S+ 0 0 63 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.931 108.9 53.1 -60.3 -45.9 38.7 -6.4 24.0 247 64 A Q H X S+ 0 0 54 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.821 111.2 46.3 -62.3 -31.9 38.0 -3.2 22.0 248 65 A W H X S+ 0 0 8 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.829 106.5 58.2 -79.4 -34.1 34.5 -4.4 21.4 249 66 A K H < S+ 0 0 50 -4,-2.1 4,-0.4 -5,-0.2 -2,-0.2 0.897 115.9 37.0 -56.9 -41.5 34.0 -5.4 25.1 250 67 A S H >< S+ 0 0 72 -4,-2.0 3,-0.8 2,-0.1 4,-0.4 0.928 119.4 44.6 -77.3 -50.7 34.8 -1.7 25.9 251 68 A E H >< S+ 0 0 59 -4,-2.3 3,-1.3 1,-0.2 -3,-0.2 0.847 104.6 62.7 -69.0 -33.4 33.1 0.1 23.0 252 69 A Q G >< S+ 0 0 47 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.690 86.5 73.6 -67.9 -20.3 29.8 -1.9 23.1 253 70 A I G < S+ 0 0 136 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.831 88.0 63.5 -59.3 -32.6 29.0 -0.7 26.7 254 71 A K G < S+ 0 0 160 -3,-1.3 2,-0.6 -4,-0.4 -1,-0.3 0.442 87.9 79.9 -75.1 -0.7 28.1 2.7 25.2 255 72 A A < - 0 0 7 -3,-1.5 6,-0.1 1,-0.2 -1,-0.1 -0.923 60.1-170.3-112.4 109.4 25.2 1.2 23.2 256 73 A K + 0 0 181 -2,-0.6 2,-0.2 4,-0.1 -1,-0.2 0.961 69.0 42.1 -64.9 -56.7 22.1 0.7 25.3 257 74 A T S > S- 0 0 38 1,-0.1 4,-1.2 65,-0.0 3,-0.2 -0.541 81.2-123.0 -92.7 158.3 19.9 -1.3 22.9 258 75 A N H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.805 112.7 62.7 -67.7 -31.6 21.1 -4.2 20.7 259 76 A R H > S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.904 106.8 44.9 -55.7 -43.2 19.7 -2.3 17.7 260 77 A E H > S+ 0 0 90 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.759 107.2 58.1 -73.2 -28.6 22.3 0.4 18.5 261 78 A K H X S+ 0 0 37 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.878 104.7 52.5 -67.0 -36.5 25.0 -2.3 19.1 262 79 A F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.924 109.1 48.0 -64.0 -48.5 24.5 -3.5 15.5 263 80 A Y H X S+ 0 0 51 -4,-1.5 4,-2.2 1,-0.2 -1,-0.2 0.917 115.9 45.3 -55.6 -46.1 24.9 0.0 14.0 264 81 A L H X S+ 0 0 47 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.880 109.5 53.6 -71.0 -40.8 28.1 0.6 16.1 265 82 A Y H X S+ 0 0 3 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.942 113.5 43.5 -58.2 -48.6 29.6 -2.9 15.3 266 83 A N H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.920 116.1 46.6 -62.6 -46.0 29.2 -2.3 11.6 267 84 A E H X S+ 0 0 60 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.864 113.3 49.3 -67.3 -36.5 30.5 1.3 11.7 268 85 A L H X S+ 0 0 22 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.867 107.2 55.4 -71.3 -38.1 33.4 0.4 13.9 269 86 A S H X S+ 0 0 9 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.929 112.4 44.1 -55.2 -47.4 34.3 -2.5 11.5 270 87 A L H X S+ 0 0 4 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.979 117.8 41.5 -62.8 -59.4 34.4 0.0 8.7 271 88 A T H X S+ 0 0 29 -4,-2.6 4,-0.9 1,-0.2 3,-0.3 0.905 114.8 50.5 -57.5 -48.5 36.4 2.8 10.5 272 89 A T H >X S+ 0 0 30 -4,-2.7 3,-0.8 1,-0.2 4,-0.6 0.936 111.8 46.3 -59.1 -50.1 38.9 0.4 12.3 273 90 A Q H 3< S+ 0 0 42 -4,-1.8 3,-0.3 -5,-0.3 -1,-0.2 0.749 99.2 72.6 -65.9 -22.9 39.8 -1.4 9.1 274 91 A Y H 3< S+ 0 0 117 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.879 115.8 19.6 -59.8 -40.2 40.2 1.9 7.2 275 92 A Y H << S+ 0 0 169 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.246 92.0 124.5-113.6 11.4 43.4 2.7 9.1 276 93 A Y >< - 0 0 49 -4,-0.6 3,-1.2 -3,-0.3 4,-0.3 -0.624 50.6-153.2 -75.7 118.0 44.3 -0.9 10.3 277 94 A P T > S+ 0 0 65 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.857 88.1 56.8 -67.7 -38.4 47.9 -1.5 9.0 278 95 A L T >> S+ 0 0 0 1,-0.2 4,-2.6 2,-0.1 3,-0.5 0.657 81.4 93.9 -64.4 -16.0 47.7 -5.4 8.7 279 96 A Q H <> S+ 0 0 33 -3,-1.2 4,-2.5 1,-0.3 -1,-0.2 0.887 82.9 49.1 -48.7 -50.7 44.7 -5.1 6.4 280 97 A N H <> S+ 0 0 94 -3,-0.7 4,-2.1 -4,-0.3 -1,-0.3 0.886 113.0 47.9 -57.3 -40.7 46.7 -5.3 3.2 281 98 A A H <> S+ 0 0 0 -3,-0.5 4,-2.2 -4,-0.4 -1,-0.2 0.868 110.3 52.0 -67.1 -37.6 48.6 -8.3 4.5 282 99 A I H X S+ 0 0 42 -4,-2.6 4,-3.1 2,-0.2 5,-0.2 0.901 108.6 51.4 -63.9 -41.4 45.3 -10.0 5.5 283 100 A I H X S+ 0 0 25 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.927 111.0 47.6 -59.2 -48.4 44.0 -9.4 2.0 284 101 A E H X S+ 0 0 24 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.893 115.8 45.0 -59.2 -43.3 47.1 -11.0 0.4 285 102 A F H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.947 113.8 47.1 -68.8 -52.3 46.9 -14.0 2.8 286 103 A Y H X S+ 0 0 29 -4,-3.1 4,-0.7 1,-0.2 3,-0.3 0.938 113.2 48.3 -54.6 -51.8 43.2 -14.5 2.4 287 104 A T H < S+ 0 0 1 -4,-2.4 -1,-0.2 -5,-0.2 3,-0.2 0.814 116.1 45.8 -62.3 -29.9 43.2 -14.3 -1.4 288 105 A E H < S+ 0 0 31 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.773 124.6 29.5 -81.2 -29.1 46.2 -16.7 -1.4 289 106 A Y H < S+ 0 0 36 -4,-2.2 3,-0.4 -3,-0.3 -2,-0.2 -0.006 80.0 104.7-129.3 29.8 44.8 -19.3 1.1 290 107 A Y S < S+ 0 0 74 -4,-0.7 2,-0.1 1,-0.2 -1,-0.1 0.480 89.0 49.5 -84.7 -4.0 41.0 -19.2 0.7 291 108 A K S S+ 0 0 52 -277,-0.2 -1,-0.2 -3,-0.2 2,-0.2 -0.608 85.3 95.7-130.8 72.6 41.3 -22.5 -1.2 292 109 A T >> - 0 0 56 -3,-0.4 4,-2.7 -2,-0.1 3,-0.6 -0.673 58.8-150.5-161.0 102.6 43.6 -24.7 1.0 293 110 A N H 3> S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.720 93.0 54.5 -50.2 -35.6 41.9 -27.2 3.4 294 111 A S H 3> S+ 0 0 86 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.950 124.8 22.6 -64.6 -51.3 44.7 -27.1 6.1 295 112 A I H <> S+ 0 0 14 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.528 114.6 70.6 -94.6 -10.9 44.7 -23.3 6.6 296 113 A N H X S+ 0 0 19 -4,-2.7 4,-1.8 2,-0.2 -3,-0.2 0.865 96.9 50.8 -73.2 -38.6 41.1 -22.9 5.3 297 114 A E H X S+ 0 0 62 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.891 111.1 48.4 -63.6 -41.7 39.6 -24.6 8.4 298 115 A K H X S+ 0 0 91 -4,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.853 108.9 53.1 -69.0 -38.3 41.6 -22.3 10.7 299 116 A M H X S+ 0 0 14 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.900 108.1 51.4 -59.2 -45.1 40.6 -19.2 8.8 300 117 A N H X S+ 0 0 81 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.895 106.0 54.8 -58.8 -43.1 36.9 -20.2 9.2 301 118 A K H X S+ 0 0 57 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.878 112.5 44.0 -56.2 -40.3 37.5 -20.6 13.0 302 119 A L H >X S+ 0 0 13 -4,-1.6 4,-0.9 2,-0.2 3,-0.7 0.908 113.3 48.2 -73.0 -47.4 38.8 -17.1 13.1 303 120 A E H >X S+ 0 0 44 -4,-2.7 4,-1.8 1,-0.2 3,-0.7 0.865 104.6 62.0 -61.0 -38.4 36.1 -15.5 10.9 304 121 A N H 3X S+ 0 0 92 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.761 96.1 59.7 -61.3 -26.8 33.4 -17.3 12.9 305 122 A K H X S+ 0 0 25 -4,-1.8 4,-1.3 1,-0.2 3,-0.8 0.890 99.9 63.1 -65.8 -40.6 30.4 -13.6 13.2 308 125 A D H 3X S+ 0 0 91 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.779 90.8 66.0 -59.0 -30.6 29.6 -14.7 16.8 309 126 A A H 3X S+ 0 0 8 -4,-0.8 4,-2.0 -3,-0.4 -1,-0.3 0.952 103.2 47.7 -51.6 -50.0 29.5 -11.0 17.8 310 127 A Y H S+ 0 0 0 -4,-2.3 5,-1.8 -5,-0.4 6,-0.9 0.890 106.6 51.8 -57.3 -43.6 17.7 -8.5 20.7 318 135 A N H ><5S+ 0 0 50 -4,-2.9 3,-1.1 2,-0.2 -2,-0.2 0.941 114.5 41.9 -56.4 -51.0 15.2 -11.4 20.6 319 136 A L H 3<5S+ 0 0 128 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.947 111.6 55.3 -62.7 -48.0 15.1 -11.6 24.4 320 137 A N T 3<5S- 0 0 100 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.359 113.0-116.5 -72.3 4.9 15.0 -7.8 24.9 321 138 A G T < 5S+ 0 0 63 -3,-1.1 -3,-0.2 -4,-0.2 -1,-0.1 0.518 80.0 123.0 76.9 7.7 11.9 -7.5 22.6 322 139 A E S + 0 0 92 1,-0.2 4,-2.4 2,-0.1 -1,-0.2 -0.794 61.6 170.9-111.8 88.0 17.2 -18.3 12.4 328 145 A V H > S+ 0 0 20 -2,-0.8 4,-1.9 -3,-0.3 5,-0.2 0.859 78.9 59.0 -61.4 -37.0 19.8 -16.3 14.3 329 146 A N H > S+ 0 0 98 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.914 111.7 38.2 -59.8 -46.4 22.6 -18.5 12.9 330 147 A A H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 3,-0.2 0.960 114.3 52.5 -70.3 -53.1 21.8 -17.7 9.3 331 148 A V H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.816 109.2 51.1 -56.4 -33.9 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1.7 342 159 A I H X S+ 0 0 3 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.901 115.0 46.3 -56.9 -42.6 30.7 -3.2 2.1 343 160 A V H < S+ 0 0 15 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.917 120.3 38.1 -65.9 -41.3 34.0 -2.7 4.0 344 161 A T H < S+ 0 0 32 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.859 121.8 35.5 -83.5 -38.8 36.2 -4.6 1.6 345 162 A F H < S+ 0 0 1 -4,-3.1 2,-0.7 -5,-0.2 -3,-0.2 0.682 77.2 114.4 -95.8 -20.6 34.8 -3.7 -1.9 346 163 A T < + 0 0 14 -4,-1.1 8,-0.0 -5,-0.5 -198,-0.0 -0.354 35.7 175.2 -59.4 102.3 33.8 -0.1 -1.5 347 164 A H + 0 0 31 -2,-0.7 2,-0.4 -233,-0.0 -1,-0.2 0.560 43.5 108.3 -87.3 -11.3 36.3 1.5 -3.9 348 165 A E - 0 0 60 1,-0.1 6,-0.1 2,-0.0 -2,-0.0 -0.561 64.0-140.9 -71.1 124.3 34.7 5.0 -3.6 349 166 A Q + 0 0 69 -2,-0.4 5,-0.1 4,-0.1 4,-0.1 0.281 62.5 84.6 -66.0-160.9 37.0 7.3 -1.5 350 167 A N > - 0 0 99 3,-0.1 4,-1.4 1,-0.1 3,-0.5 0.946 60.3-145.5 60.4 99.0 35.8 9.9 1.1 351 168 A I H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.708 93.3 67.0 -68.6 -21.0 35.3 8.2 4.4 352 169 A N H > S+ 0 0 109 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