==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 20-DEC-07 3BQZ . COMPND 2 MOLECULE: HTH-TYPE TRANSCRIPTIONAL REGULATOR QACR; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR B.E.BROOKS . 366 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 81.4 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 . 13 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.9 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 2 3 0 0 1 0 0 2 0 0 1 4 0 2 0 0 2 0 0 0 0 1 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 0 121 0, 0.0 4,-1.7 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -48.8 4.9 74.5 26.8 2 5 B D H > + 0 0 133 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.720 360.0 53.3 -77.9 -24.1 8.0 72.5 25.8 3 6 B K H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.1 -1,-0.2 0.796 109.2 50.5 -74.2 -33.0 6.0 69.9 23.7 4 7 B I H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.872 111.3 48.6 -71.2 -37.8 4.3 72.7 21.8 5 8 B L H X S+ 0 0 29 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.847 113.9 44.9 -69.3 -38.5 7.8 74.3 21.1 6 9 B G H X S+ 0 0 36 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.917 117.5 41.7 -75.4 -46.9 9.4 71.0 19.9 7 10 B V H X S+ 0 0 38 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.861 114.9 53.0 -66.9 -38.4 6.5 69.8 17.7 8 11 B A H X S+ 0 0 0 -4,-1.8 4,-2.9 -5,-0.2 5,-0.3 0.981 108.4 49.0 -60.0 -57.1 6.0 73.4 16.3 9 12 B K H X S+ 0 0 28 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.883 113.1 48.3 -48.7 -45.2 9.6 73.8 15.3 10 13 B E H X S+ 0 0 107 -4,-1.7 4,-2.6 1,-0.2 -1,-0.2 0.896 112.0 46.5 -67.5 -45.0 9.6 70.4 13.6 11 14 B L H X S+ 0 0 20 -4,-2.4 4,-3.2 2,-0.2 5,-0.4 0.868 112.1 52.3 -63.8 -39.2 6.4 71.0 11.6 12 15 B F H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.905 112.3 45.5 -62.9 -44.3 7.7 74.5 10.6 13 16 B I H < S+ 0 0 29 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.932 119.5 41.3 -61.0 -47.5 10.9 72.9 9.3 14 17 B K H < S+ 0 0 45 -4,-2.6 277,-0.3 -5,-0.2 -2,-0.2 0.888 136.5 10.5 -69.9 -41.6 9.0 70.1 7.5 15 18 B N H X S- 0 0 48 -4,-3.2 4,-0.6 1,-0.3 -3,-0.2 0.464 98.5-121.3-122.0 -8.8 6.1 72.2 6.1 16 19 B G T < - 0 0 0 -4,-2.0 4,-0.4 -5,-0.4 -1,-0.3 -0.271 43.4 -61.7 86.6-178.9 6.8 75.9 6.5 17 20 B Y T >4 S+ 0 0 4 77,-0.2 3,-1.0 2,-0.2 -1,-0.1 0.956 127.6 46.2 -70.8 -53.7 4.8 78.6 8.4 18 21 B N T 34 S+ 0 0 37 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.912 110.4 50.4 -59.9 -48.5 1.5 78.5 6.4 19 22 B A T 3< S+ 0 0 31 -4,-0.6 2,-0.7 -7,-0.1 -1,-0.2 0.550 93.2 86.6 -72.6 -8.2 1.0 74.7 6.2 20 23 B T < - 0 0 1 -3,-1.0 2,-0.3 -4,-0.4 -8,-0.0 -0.855 65.5-168.2 -94.0 113.9 1.5 74.4 10.0 21 24 B T > - 0 0 73 -2,-0.7 4,-1.7 1,-0.1 5,-0.2 -0.758 32.6-125.4-102.7 150.9 -1.8 74.9 11.8 22 25 B T H > S+ 0 0 57 -2,-0.3 4,-2.5 1,-0.2 -1,-0.1 0.765 115.8 56.7 -60.8 -28.0 -2.4 75.4 15.6 23 26 B G H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 106.1 48.4 -66.3 -43.4 -4.8 72.5 15.3 24 27 B E H > S+ 0 0 61 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.794 113.7 47.1 -66.5 -31.5 -2.0 70.3 13.9 25 28 B I H X S+ 0 0 7 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.908 112.4 50.8 -71.9 -45.8 0.2 71.5 16.8 26 29 B V H <>S+ 0 0 37 -4,-2.5 5,-1.5 1,-0.2 4,-0.3 0.868 111.6 47.2 -56.0 -42.9 -2.6 70.8 19.2 27 30 B K H <5S+ 0 0 75 -4,-2.4 3,-0.4 1,-0.2 -1,-0.2 0.876 118.6 38.2 -70.6 -40.0 -3.2 67.2 17.9 28 31 B L H <5S+ 0 0 106 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.455 116.3 51.5 -94.3 -3.4 0.5 66.1 17.9 29 32 B S T <5S- 0 0 11 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.270 102.4-123.3-115.2 9.2 1.5 67.9 21.1 30 33 B E T 5S+ 0 0 99 -3,-0.4 2,-0.3 -4,-0.3 -3,-0.2 0.946 71.2 112.0 46.5 63.4 -1.2 66.5 23.4 31 34 B S < - 0 0 33 -5,-1.5 -2,-0.2 -6,-0.1 -1,-0.2 -0.982 66.0-100.9-159.7 155.2 -2.5 70.0 24.5 32 35 B S > - 0 0 39 -2,-0.3 4,-1.5 1,-0.1 3,-0.4 -0.296 29.7-115.0 -78.1 161.5 -5.7 72.1 24.1 33 36 B K H > S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.786 124.2 49.2 -62.4 -29.2 -6.1 75.1 21.7 34 37 B G H 4 S+ 0 0 57 2,-0.2 -1,-0.2 1,-0.2 5,-0.2 0.615 102.3 62.0 -82.3 -18.1 -6.4 77.2 24.9 35 38 B N H > S+ 0 0 43 -3,-0.4 4,-0.6 1,-0.1 -2,-0.2 0.831 103.9 48.1 -71.6 -36.5 -3.2 75.5 26.2 36 39 B L H X>S+ 0 0 13 -4,-1.5 4,-3.0 3,-0.1 5,-0.8 0.913 106.7 70.2 -66.2 -45.2 -1.4 77.1 23.3 37 40 B Y H <5S+ 0 0 152 -4,-1.2 2,-2.2 3,-0.2 5,-0.1 -0.287 102.4 25.3 -61.3 156.5 -3.1 80.3 24.2 38 41 B Y H 45S+ 0 0 88 1,-0.2 -1,-0.2 -2,-0.0 -2,-0.1 -0.304 124.5 54.3 78.4 -56.3 -1.8 81.9 27.4 39 42 B H H <5S- 0 0 95 -2,-2.2 -1,-0.2 -4,-0.6 -2,-0.2 0.922 139.8 -3.5 -66.5 -47.7 1.5 80.1 27.0 40 43 B F T <5S- 0 0 5 -4,-3.0 2,-2.5 -5,-0.1 -3,-0.2 0.557 77.8-154.8-122.1 -16.7 2.0 81.6 23.5 41 44 B K S S- 0 0 78 -2,-2.5 4,-1.7 -6,-0.1 5,-0.1 -0.838 76.5-111.5-133.5 165.5 -0.9 83.2 18.9 43 46 B K H > S+ 0 0 49 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.847 117.4 54.9 -62.2 -37.2 0.8 81.1 16.2 44 47 B E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.877 107.5 47.5 -63.3 -44.3 3.0 84.1 15.3 45 48 B N H > S+ 0 0 72 2,-0.2 4,-1.6 -5,-0.2 -1,-0.2 0.822 110.2 52.9 -71.1 -35.0 4.3 84.6 18.8 46 49 B L H X S+ 0 0 11 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.914 111.6 46.7 -61.0 -45.9 5.1 80.9 19.1 47 50 B F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.920 112.2 49.0 -63.9 -46.8 7.1 81.1 15.8 48 51 B L H X S+ 0 0 35 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.807 111.0 50.7 -64.9 -33.4 9.0 84.2 16.9 49 52 B E H X S+ 0 0 61 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.889 108.3 52.7 -67.9 -42.3 9.8 82.6 20.2 50 53 B I H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.916 109.9 49.1 -57.3 -42.5 11.1 79.5 18.4 51 54 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.852 108.2 53.4 -65.9 -38.7 13.3 81.8 16.3 52 55 B N H X S+ 0 0 93 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.947 113.2 43.0 -58.6 -51.1 14.7 83.6 19.4 53 56 B I H X S+ 0 0 66 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.892 114.0 52.4 -60.7 -43.0 15.6 80.2 20.9 54 57 B E H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.897 110.5 45.6 -64.5 -42.6 17.1 79.0 17.6 55 58 B E H X S+ 0 0 14 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.767 113.4 50.3 -73.9 -27.7 19.3 82.0 17.1 56 59 B S H X S+ 0 0 59 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.900 112.7 47.1 -72.1 -43.9 20.5 81.8 20.7 57 60 B K H X S+ 0 0 85 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.930 113.5 48.2 -60.1 -47.6 21.3 78.2 20.3 58 61 B W H X S+ 0 0 8 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 112.8 48.2 -59.1 -44.8 23.1 78.8 17.0 59 62 B Q H X S+ 0 0 51 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.833 111.5 49.8 -67.2 -36.5 25.0 81.7 18.6 60 63 B E H X S+ 0 0 105 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.946 110.6 50.6 -61.4 -51.0 26.0 79.5 21.6 61 64 B Q H X S+ 0 0 32 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.860 111.2 47.6 -58.2 -38.8 27.1 76.8 19.3 62 65 B W H X S+ 0 0 19 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.856 104.3 60.4 -73.1 -35.8 29.3 79.2 17.2 63 66 B K H < S+ 0 0 154 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.900 113.2 38.9 -53.6 -41.6 30.8 80.7 20.4 64 67 B K H >< S+ 0 0 144 -4,-1.6 3,-0.5 1,-0.2 4,-0.2 0.842 117.0 48.1 -77.3 -38.6 32.2 77.2 21.2 65 68 B E H >< S+ 0 0 46 -4,-1.9 3,-1.4 1,-0.2 4,-0.2 0.786 96.5 69.1 -79.8 -25.7 33.1 76.0 17.7 66 69 B Q G >< S+ 0 0 50 -4,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.721 83.8 70.9 -70.7 -20.1 35.0 79.1 16.6 67 70 B I G < S+ 0 0 136 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.787 88.5 67.6 -61.7 -26.0 38.0 78.5 19.0 68 71 B K G < S+ 0 0 153 -3,-1.4 2,-0.5 -4,-0.2 -1,-0.3 0.647 91.8 65.2 -72.0 -17.9 38.8 75.6 16.7 69 72 B A < - 0 0 6 -3,-1.5 6,-0.1 -4,-0.2 -1,-0.1 -0.947 64.3-169.8-109.1 119.9 39.8 77.9 13.8 70 73 B K + 0 0 84 -2,-0.5 2,-0.2 4,-0.0 -1,-0.2 0.942 69.7 48.5 -77.8 -49.4 42.8 80.0 14.6 71 74 B T S > S- 0 0 45 1,-0.1 4,-1.9 64,-0.0 5,-0.1 -0.553 82.9-123.7 -90.0 156.1 42.7 82.5 11.7 72 75 B N H > S+ 0 0 15 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.820 114.7 59.8 -66.7 -30.6 39.6 84.4 10.5 73 76 B R H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 3,-0.2 0.937 107.8 44.8 -56.8 -47.9 40.1 82.9 7.1 74 77 B E H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.835 109.1 57.1 -66.6 -35.1 39.7 79.5 8.8 75 78 B K H X S+ 0 0 31 -4,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.812 104.1 52.5 -63.9 -32.3 36.7 80.8 10.8 76 79 B F H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.2 -2,-0.2 0.939 111.7 45.7 -70.3 -48.0 34.9 81.7 7.5 77 80 B Y H X S+ 0 0 59 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.908 116.3 46.9 -53.1 -45.2 35.5 78.2 6.2 78 81 B L H X S+ 0 0 33 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.932 109.9 50.2 -70.6 -48.9 34.3 76.7 9.5 79 82 B Y H X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.874 112.4 48.1 -55.7 -40.5 31.2 78.8 10.0 80 83 B N H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.824 111.3 49.1 -75.6 -35.4 30.0 78.1 6.5 81 84 B E H >X S+ 0 0 71 -4,-1.7 3,-0.6 -5,-0.2 4,-0.6 0.883 111.6 50.8 -64.9 -41.4 30.6 74.3 6.8 82 85 B L H >X S+ 0 0 15 -4,-2.4 4,-2.7 1,-0.2 3,-0.6 0.793 97.7 65.9 -68.8 -29.0 28.7 74.4 10.2 83 86 B S H 3< S+ 0 0 1 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.841 103.3 49.6 -61.2 -29.6 25.7 76.2 8.6 84 87 B L H << S+ 0 0 13 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.715 119.4 34.4 -76.3 -25.7 25.2 73.0 6.6 85 88 B T H << S+ 0 0 73 -3,-0.6 -2,-0.2 -4,-0.6 -3,-0.1 0.671 90.1 106.0-107.5 -24.3 25.4 70.6 9.6 86 89 B T < - 0 0 13 -4,-2.7 -28,-0.0 1,-0.1 0, 0.0 -0.241 57.6-149.8 -64.9 145.0 23.8 72.5 12.5 87 90 B Q S S+ 0 0 122 3,-0.1 2,-0.4 4,-0.0 -1,-0.1 0.582 72.5 93.7 -81.9 -12.9 20.4 71.7 13.7 88 91 B Y S S- 0 0 45 1,-0.1 2,-2.9 2,-0.1 -2,-0.1 -0.694 98.6 -34.3 -97.4 133.9 19.9 75.3 14.7 89 92 B Y S > S+ 0 0 9 -2,-0.4 3,-1.4 1,-0.2 -34,-0.1 -0.269 118.5 74.4 72.1 -58.9 18.3 78.3 12.9 90 93 B Y G > S+ 0 0 3 -2,-2.9 3,-1.5 1,-0.3 4,-0.2 0.821 88.5 59.9 -56.0 -38.4 19.4 77.3 9.3 91 94 B P G 3 S+ 0 0 27 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.723 104.1 53.7 -62.4 -20.0 16.8 74.5 9.0 92 95 B L G <> S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.2 3,-0.2 0.309 74.3 105.4 -92.8 6.2 14.1 77.1 9.6 93 96 B Q H <> S+ 0 0 8 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.862 79.0 51.9 -62.8 -36.4 15.1 79.5 6.8 94 97 B N H > S+ 0 0 2 -3,-0.3 4,-1.7 -4,-0.2 -1,-0.2 0.893 113.3 44.4 -64.5 -41.8 12.2 78.5 4.5 95 98 B A H > S+ 0 0 1 -4,-0.2 4,-2.8 -3,-0.2 -2,-0.2 0.879 113.9 52.7 -64.6 -38.9 9.7 79.1 7.3 96 99 B I H X S+ 0 0 6 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.908 109.1 46.7 -65.9 -43.9 11.5 82.4 8.2 97 100 B I H X S+ 0 0 8 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.921 114.5 48.1 -65.7 -41.4 11.4 83.8 4.6 98 101 B E H < S+ 0 0 1 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.957 113.6 45.7 -63.6 -51.7 7.7 82.9 4.3 99 102 B F H >X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.9 0.919 113.1 52.1 -55.1 -44.2 6.9 84.4 7.6 100 103 B Y H 3< S+ 0 0 46 -4,-2.8 2,-0.5 1,-0.3 -2,-0.2 0.860 103.7 57.8 -62.0 -36.5 9.0 87.5 6.6 101 104 B T T 3< S+ 0 0 47 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.1 -0.215 115.4 35.1 -91.0 45.0 7.1 87.8 3.3 102 105 B E T <4 0 0 78 -3,-0.9 -2,-0.2 -2,-0.5 -1,-0.2 0.270 360.0 360.0-154.0 -45.4 3.7 88.2 5.1 103 106 B Y < 0 0 79 -4,-2.2 -2,-0.1 -5,-0.2 -3,-0.1 -0.051 360.0 360.0-109.0 360.0 4.4 90.1 8.3 104 ! 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 0.0 105 109 B T 0 0 109 0, 0.0 4,-0.7 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 68.8 3.5 95.0 10.4 106 110 B N 0 0 99 2,-0.2 4,-0.8 3,-0.1 -3,-0.0 0.605 360.0 360.0 -74.1 360.0 6.5 96.6 12.0 107 ! 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 0.0 108 112 B I 0 0 63 0, 0.0 -2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -19.3 7.3 92.4 14.9 109 113 B N 0 0 41 -4,-0.7 4,-1.1 3,-0.2 -3,-0.1 0.674 360.0 360.0 -74.6 -19.0 9.6 93.5 12.1 110 114 B E 0 0 67 -4,-0.8 4,-1.4 2,-0.2 3,-1.3 0.932 360.0 360.0 -71.9 360.0 11.7 95.5 14.6 111 ! 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 0.0 112 116 B M > 0 0 15 0, 0.0 4,-1.1 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -37.2 12.9 90.1 13.1 113 117 B N H > + 0 0 61 -3,-1.3 4,-2.0 -4,-1.1 -3,-0.1 0.705 360.0 53.5 -84.6 -24.0 15.5 92.6 11.8 114 118 B K H > S+ 0 0 154 -4,-1.4 4,-0.7 2,-0.2 -1,-0.2 0.619 106.8 54.9 -79.7 -14.3 17.4 92.3 15.0 115 119 B L H > S+ 0 0 24 -5,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.847 110.8 43.8 -75.0 -42.3 17.3 88.5 14.3 116 120 B E H X S+ 0 0 13 -4,-1.1 4,-2.0 2,-0.2 5,-0.2 0.921 110.3 54.2 -67.4 -45.2 18.9 89.1 10.9 117 121 B N H X S+ 0 0 109 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.832 107.9 51.4 -61.8 -33.6 21.5 91.6 12.2 118 122 B K H X S+ 0 0 51 -4,-0.7 4,-0.8 2,-0.2 -1,-0.2 0.917 109.3 50.0 -63.8 -45.3 22.6 89.0 14.7 119 123 B Y H < S+ 0 0 10 -4,-1.5 4,-0.3 1,-0.2 -2,-0.2 0.794 114.8 43.8 -68.6 -29.1 23.0 86.3 12.0 120 124 B I H >X S+ 0 0 16 -4,-2.0 4,-1.6 1,-0.2 3,-0.9 0.724 98.7 74.9 -82.4 -24.5 25.1 88.7 9.8 121 125 B D H 3X S+ 0 0 75 -4,-1.3 4,-2.2 1,-0.3 5,-0.2 0.778 83.7 64.9 -65.3 -26.9 27.1 89.9 12.8 122 126 B A H 3X S+ 0 0 16 -4,-0.8 4,-2.0 1,-0.2 -1,-0.3 0.894 106.6 43.8 -59.0 -39.9 29.1 86.6 12.9 123 127 B Y H <> S+ 0 0 0 -3,-0.9 4,-3.2 -4,-0.3 5,-0.3 0.864 109.0 57.4 -72.5 -37.4 30.6 87.6 9.5 124 128 B H H X S+ 0 0 49 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.899 109.5 44.4 -57.4 -45.2 31.1 91.1 10.5 125 129 B V H X S+ 0 0 60 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.952 114.1 50.2 -65.5 -49.6 33.3 90.0 13.4 126 130 B I H X S+ 0 0 4 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.922 117.7 39.3 -51.8 -50.0 35.1 87.5 11.2 127 131 B F H X S+ 0 0 0 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.864 116.8 48.3 -76.1 -38.9 35.8 90.2 8.5 128 132 B K H X S+ 0 0 110 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.924 114.8 46.3 -62.4 -46.6 36.6 93.1 10.9 129 133 B E H X S+ 0 0 70 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.872 110.3 53.2 -66.4 -37.3 39.0 90.8 12.9 130 134 B G H <>S+ 0 0 0 -4,-2.0 5,-2.4 -5,-0.3 6,-0.9 0.837 107.2 53.1 -62.8 -35.5 40.6 89.6 9.6 131 135 B N H ><5S+ 0 0 52 -4,-1.7 3,-1.1 3,-0.2 -2,-0.2 0.927 110.7 46.6 -60.3 -47.3 41.1 93.3 8.7 132 136 B L H 3<5S+ 0 0 118 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.825 113.2 48.6 -66.6 -34.4 42.9 93.9 12.0 133 137 B N T 3<5S- 0 0 108 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.191 113.3-115.5 -94.6 16.2 45.0 90.8 11.7 134 138 B G T < 5S+ 0 0 66 -3,-1.1 -3,-0.2 2,-0.2 -4,-0.1 0.668 76.8 129.0 65.2 21.6 46.1 91.6 8.1 135 139 B E S + 0 0 80 1,-0.2 4,-2.3 2,-0.1 3,-0.3 -0.722 63.7 163.6-116.5 80.9 32.9 97.9 3.4 141 145 B V H > S+ 0 0 19 -2,-0.5 4,-2.7 -3,-0.4 5,-0.2 0.845 75.1 60.0 -62.8 -39.2 32.7 95.1 5.9 142 146 B N H > S+ 0 0 97 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.879 110.2 41.7 -56.4 -39.5 28.9 95.7 6.4 143 147 B A H > S+ 0 0 9 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.918 115.2 48.3 -77.3 -45.9 28.3 95.0 2.7 144 148 B V H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.858 110.4 54.0 -62.7 -36.0 30.7 92.0 2.5 145 149 B S H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.936 111.0 44.6 -62.2 -48.4 29.1 90.5 5.6 146 150 B K H X S+ 0 0 69 -4,-1.5 4,-2.1 -5,-0.2 5,-0.3 0.910 114.4 49.0 -63.7 -44.1 25.6 90.7 4.2 147 151 B I H X S+ 0 0 3 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.951 114.0 45.7 -59.9 -51.5 26.7 89.3 0.8 148 152 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.942 113.6 48.3 -57.5 -49.8 28.6 86.4 2.4 149 153 B A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.917 116.0 41.6 -61.8 -46.0 25.8 85.5 4.9 150 154 B N H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.874 114.1 52.7 -74.5 -32.8 23.0 85.5 2.3 151 155 B A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.920 112.1 45.2 -63.6 -44.2 25.1 83.8 -0.3 152 156 B V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.926 109.4 56.3 -69.2 -40.0 25.9 81.0 2.2 153 157 B N H X S+ 0 0 0 -4,-2.6 4,-3.2 -5,-0.3 5,-0.3 0.886 106.4 50.6 -55.5 -39.7 22.3 80.8 3.2 154 158 B G H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.911 109.2 50.1 -65.2 -41.5 21.4 80.2 -0.4 155 159 B I H X S+ 0 0 2 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.909 117.3 41.9 -63.4 -39.7 23.9 77.4 -0.7 156 160 B V H >< S+ 0 0 3 -4,-2.6 3,-0.7 1,-0.1 -2,-0.2 0.972 120.3 40.0 -66.5 -55.4 22.6 75.8 2.5 157 161 B T H >< S+ 0 0 0 -4,-3.2 3,-0.5 1,-0.2 -2,-0.2 0.794 116.9 46.4 -72.7 -31.6 18.9 76.3 1.8 158 162 B F H 3< S+ 0 0 24 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.1 0.420 109.4 53.5 -96.6 2.1 18.8 75.5 -1.9 159 163 B T T X< + 0 0 0 -3,-0.7 3,-1.4 -4,-0.5 -1,-0.2 -0.019 65.4 121.3-119.4 27.6 20.9 72.3 -1.8 160 164 B H T < + 0 0 59 -3,-0.5 -1,-0.1 1,-0.2 -2,-0.1 0.782 66.5 65.7 -62.1 -27.3 19.0 70.3 0.9 161 165 B E T 3 S+ 0 0 59 -3,-0.1 -1,-0.2 135,-0.1 2,-0.1 0.657 90.2 89.8 -67.0 -19.5 18.4 67.4 -1.5 162 166 B Q S < S- 0 0 74 -3,-1.4 -3,-0.1 1,-0.1 5,-0.0 -0.369 86.9 -88.3 -94.8 158.6 22.0 66.4 -1.7 163 167 B N > - 0 0 95 1,-0.1 4,-1.8 -2,-0.1 -1,-0.1 -0.299 38.6-125.5 -52.0 140.0 24.5 64.2 0.1 164 168 B I H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.869 106.6 53.8 -66.1 -40.3 26.2 66.1 3.0 165 169 B N H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 110.4 47.3 -61.9 -39.3 29.8 65.4 1.9 166 170 B E H > S+ 0 0 97 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.859 110.7 52.4 -69.7 -36.3 29.1 66.9 -1.5 167 171 B R H X S+ 0 0 20 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.852 109.5 48.9 -65.6 -36.6 27.4 69.9 0.1 168 172 B I H X S+ 0 0 22 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 111.0 51.3 -68.0 -39.9 30.4 70.5 2.3 169 173 B K H X S+ 0 0 131 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.877 111.5 45.7 -64.4 -44.1 32.6 70.2 -0.9 170 174 B L H X S+ 0 0 24 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.932 113.9 50.1 -62.2 -46.1 30.5 72.8 -2.8 171 175 B M H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.867 108.9 50.6 -60.8 -41.1 30.5 75.1 0.3 172 176 B N H X S+ 0 0 53 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.876 109.6 50.7 -67.2 -38.6 34.3 74.9 0.7 173 177 B K H X S+ 0 0 80 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.900 110.6 50.5 -61.6 -43.5 34.8 75.8 -2.9 174 178 B F H X S+ 0 0 0 -4,-2.3 4,-3.4 2,-0.2 5,-0.2 0.960 109.7 50.0 -55.4 -53.3 32.5 78.8 -2.4 175 179 B S H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.882 112.2 48.4 -55.0 -42.0 34.4 79.9 0.7 176 180 B Q H X S+ 0 0 95 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.951 113.7 45.0 -64.9 -50.8 37.7 79.6 -1.3 177 181 B I H X S+ 0 0 3 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.962 115.3 49.0 -55.3 -50.9 36.3 81.6 -4.3 178 182 B F H < S+ 0 0 0 -4,-3.4 4,-0.5 1,-0.2 3,-0.3 0.922 114.8 42.1 -60.0 -49.2 34.8 84.2 -2.1 179 183 B L H >< S+ 0 0 17 -4,-2.4 3,-1.3 -5,-0.2 4,-0.4 0.899 112.7 53.7 -66.0 -41.0 37.9 84.8 0.1 180 184 B N H >< S+ 0 0 68 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.765 103.4 60.1 -64.2 -23.8 40.2 84.7 -3.0 181 185 B G T 3< S+ 0 0 7 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.594 91.4 65.7 -77.1 -15.2 37.9 87.4 -4.4 182 186 B L T < 0 0 26 -3,-1.3 -45,-0.4 -4,-0.5 -1,-0.2 0.635 360.0 360.0 -77.9 -15.4 38.7 89.8 -1.5 183 187 B S < 0 0 112 -3,-0.6 -47,-0.0 -4,-0.4 -3,-0.0 -0.436 360.0 360.0 -62.3 360.0 42.3 89.9 -2.8 184 !* 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 0.0 185 2 A N >> 0 0 134 0, 0.0 4,-4.1 0, 0.0 5,-0.6 0.000 360.0 360.0 360.0 91.0 -10.1 76.0 -23.1 186 3 A L H >5 + 0 0 52 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.800 360.0 27.6 -31.7 -64.4 -10.4 73.4 -20.2 187 4 A K H >5S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 126.9 43.7 -69.0 -48.7 -6.7 73.0 -19.6 188 5 A D H >5S+ 0 0 78 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.791 113.0 50.9 -73.4 -30.3 -5.4 76.4 -20.8 189 6 A K H X5S+ 0 0 92 -4,-4.1 4,-2.3 2,-0.2 5,-0.2 0.847 109.5 50.9 -75.5 -36.3 -8.2 78.4 -19.1 190 7 A I H X - 0 0 66 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.721 29.6-120.4-106.2 158.4 -8.0 76.6 -3.5 208 25 A T H > S+ 0 0 35 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.817 113.3 60.9 -66.1 -30.9 -8.8 74.3 -6.4 209 26 A G H > S+ 0 0 28 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 106.0 46.8 -61.5 -37.6 -12.6 75.1 -5.9 210 27 A E H > S+ 0 0 76 -3,-0.4 4,-2.3 2,-0.2 5,-0.2 0.918 112.6 48.7 -67.7 -46.7 -11.8 78.8 -6.6 211 28 A I H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.928 115.6 44.1 -60.7 -44.4 -9.7 77.9 -9.7 212 29 A V H X>S+ 0 0 11 -4,-2.5 5,-2.7 2,-0.2 4,-0.8 0.878 112.0 50.8 -73.3 -38.7 -12.4 75.7 -11.1 213 30 A K H ><5S+ 0 0 158 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.935 114.4 44.1 -62.8 -46.7 -15.3 78.0 -10.4 214 31 A L H 3<5S+ 0 0 101 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.687 115.2 49.4 -71.6 -21.7 -13.6 80.9 -12.0 215 32 A S H 3<5S- 0 0 7 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.538 111.2-124.0 -87.0 -12.7 -12.5 78.7 -14.9 216 33 A E T <<5S+ 0 0 160 -4,-0.8 -3,-0.2 -3,-0.6 2,-0.1 0.955 76.4 101.9 66.1 53.2 -16.1 77.3 -15.3 217 34 A S < - 0 0 43 -5,-2.7 2,-0.3 -6,-0.0 -1,-0.2 -0.404 67.0 -98.5-139.7-151.7 -14.9 73.7 -14.8 218 35 A S > - 0 0 60 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.973 20.5-119.0-145.7 159.4 -14.8 71.0 -12.1 219 36 A K H > S+ 0 0 132 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.798 116.2 58.5 -67.1 -30.9 -12.4 69.5 -9.5 220 37 A G H > S+ 0 0 54 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.892 109.4 43.9 -61.3 -41.8 -12.8 66.2 -11.3 221 38 A N H > S+ 0 0 35 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.847 111.6 52.3 -72.5 -36.7 -11.5 67.8 -14.5 222 39 A L H X>S+ 0 0 7 -4,-2.1 4,-2.2 1,-0.2 5,-0.6 0.960 110.0 49.9 -62.0 -48.0 -8.7 69.7 -12.6 223 40 A Y H X5S+ 0 0 165 -4,-2.8 4,-1.7 3,-0.2 -2,-0.2 0.873 109.9 53.8 -53.3 -39.7 -7.7 66.3 -11.1 224 41 A Y H <5S+ 0 0 179 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.957 115.8 33.4 -62.5 -54.4 -7.8 64.9 -14.7 225 42 A H H <5S+ 0 0 60 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.732 141.8 9.0 -76.7 -27.2 -5.4 67.4 -16.4 226 43 A F H <5S- 0 0 3 -4,-2.2 2,-3.7 -5,-0.2 5,-0.3 0.396 76.4-146.8-138.0 -4.8 -3.1 68.1 -13.4 227 44 A K S < S- 0 0 52 -2,-3.7 4,-1.4 -6,-0.1 5,-0.1 -0.912 75.6-117.9-139.9 162.3 -2.9 68.1 -7.9 229 46 A K H > S+ 0 0 35 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.919 118.1 58.2 -59.7 -44.4 -2.8 71.8 -7.1 230 47 A E H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 107.4 42.9 -52.6 -48.5 0.9 71.2 -6.7 231 48 A N H > S+ 0 0 46 -5,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.761 109.6 57.1 -74.3 -28.4 1.4 69.9 -10.3 232 49 A L H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.931 109.5 46.7 -63.7 -46.5 -0.8 72.6 -11.8 233 50 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 3,-0.3 0.944 108.7 53.6 -60.5 -50.2 1.5 75.2 -10.2 234 51 A L H X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.856 107.0 53.6 -53.1 -38.4 4.6 73.3 -11.5 235 52 A E H X S+ 0 0 78 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.871 107.6 50.0 -65.2 -40.7 3.1 73.5 -15.0 236 53 A I H X S+ 0 0 5 -4,-1.7 4,-2.8 -3,-0.3 -2,-0.2 0.935 109.4 51.8 -59.6 -47.5 2.7 77.3 -14.7 237 54 A L H X S+ 0 0 19 -4,-2.5 4,-3.5 1,-0.2 -2,-0.2 0.875 106.8 53.7 -59.3 -39.2 6.3 77.6 -13.6 238 55 A N H X S+ 0 0 67 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.921 110.8 45.4 -63.1 -41.6 7.4 75.6 -16.6 239 56 A I H X S+ 0 0 79 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.934 117.2 45.5 -63.9 -44.2 5.6 77.9 -19.0 240 57 A E H X S+ 0 0 24 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.900 109.2 54.7 -65.4 -43.3 7.0 80.9 -17.0 241 58 A E H X S+ 0 0 9 -4,-3.5 4,-2.4 1,-0.2 -1,-0.2 0.911 106.4 52.9 -55.3 -45.6 10.5 79.5 -17.0 242 59 A S H X S+ 0 0 70 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.917 108.0 50.3 -57.1 -45.0 10.3 79.2 -20.8 243 60 A K H X S+ 0 0 126 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.890 109.4 51.5 -59.4 -41.4 9.4 82.9 -21.0 244 61 A W H X S+ 0 0 25 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.919 108.6 51.4 -62.8 -43.3 12.4 83.8 -18.7 245 62 A Q H X S+ 0 0 78 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.913 109.4 49.0 -59.4 -44.8 14.8 81.8 -20.9 246 63 A E H X S+ 0 0 96 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.871 110.4 52.1 -66.7 -35.3 13.5 83.6 -24.1 247 64 A Q H X S+ 0 0 53 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.890 111.0 46.8 -62.6 -41.7 14.0 86.9 -22.3 248 65 A W H X S+ 0 0 18 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.874 105.4 60.7 -70.6 -38.1 17.5 86.0 -21.4 249 66 A K H < S+ 0 0 134 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.920 115.4 33.5 -47.4 -49.5 18.2 84.8 -25.0 250 67 A K H < S+ 0 0 136 -4,-1.6 4,-0.2 1,-0.2 -2,-0.2 0.764 118.9 51.5 -87.2 -23.4 17.5 88.4 -26.2 251 68 A E H >< S+ 0 0 63 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.836 100.1 61.1 -82.5 -32.0 18.8 90.3 -23.3 252 69 A Q G >< S+ 0 0 51 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.699 87.0 75.9 -67.4 -20.0 22.3 88.7 -23.1 253 70 A I G 3 S+ 0 0 140 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.795 88.7 59.6 -62.0 -27.6 23.0 89.9 -26.6 254 71 A K G < S+ 0 0 177 -3,-1.3 2,-0.6 -4,-0.2 -1,-0.3 0.538 91.6 76.2 -77.4 -10.2 23.6 93.4 -25.1 255 72 A A < - 0 0 9 -3,-1.7 6,-0.1 1,-0.2 -1,-0.1 -0.932 67.1-165.2-105.2 115.9 26.4 92.0 -22.9 256 73 A K + 0 0 178 -2,-0.6 2,-0.2 4,-0.1 -1,-0.2 0.952 66.1 40.8 -72.8 -54.3 29.6 91.5 -25.0 257 74 A T S > S- 0 0 35 1,-0.1 4,-1.9 65,-0.0 5,-0.1 -0.516 82.0-118.6 -93.6 163.8 31.7 89.4 -22.8 258 75 A N H > S+ 0 0 13 1,-0.2 4,-1.5 2,-0.2 59,-0.1 0.796 116.0 60.0 -71.4 -29.3 30.8 86.4 -20.6 259 76 A R H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 107.3 44.9 -57.3 -45.4 32.0 88.4 -17.6 260 77 A E H > S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.831 109.4 56.7 -69.9 -35.3 29.4 91.1 -18.4 261 78 A K H X S+ 0 0 29 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.820 103.5 54.0 -62.9 -34.0 26.8 88.4 -18.9 262 79 A F H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.959 110.3 45.7 -66.5 -52.1 27.5 87.1 -15.4 263 80 A Y H X S+ 0 0 66 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.854 116.6 46.7 -53.0 -41.8 26.9 90.6 -13.9 264 81 A L H X S+ 0 0 42 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.901 109.4 51.0 -74.0 -46.3 23.8 91.0 -16.0 265 82 A Y H X S+ 0 0 4 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.925 113.1 47.2 -56.5 -43.8 22.2 87.6 -15.4 266 83 A N H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.896 113.4 46.8 -66.7 -41.6 22.6 88.2 -11.6 267 84 A E H X S+ 0 0 61 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.881 113.4 49.9 -66.6 -37.9 21.1 91.7 -11.7 268 85 A L H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.891 107.4 53.0 -67.4 -41.5 18.3 90.4 -13.9 269 86 A S H X S+ 0 0 5 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.951 114.5 44.3 -56.6 -45.7 17.5 87.6 -11.5 270 87 A L H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.944 116.3 42.4 -62.8 -56.1 17.4 90.1 -8.7 271 88 A T H X S+ 0 0 39 -4,-2.8 4,-0.9 1,-0.2 5,-0.2 0.888 115.4 50.4 -65.7 -37.5 15.3 92.8 -10.4 272 89 A T H >X S+ 0 0 16 -4,-2.5 4,-2.2 -5,-0.2 3,-0.9 0.939 110.3 48.5 -64.4 -47.9 12.9 90.3 -11.9 273 90 A Q H 3< S+ 0 0 37 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.830 103.7 65.1 -62.3 -29.0 12.3 88.6 -8.6 274 91 A Y H 3< S+ 0 0 114 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.804 120.0 17.2 -62.9 -34.9 11.7 92.0 -7.0 275 92 A Y H << S+ 0 0 150 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.547 88.1 128.8-111.7 -11.2 8.5 92.7 -9.1 276 93 A Y >< - 0 0 46 -4,-2.2 3,-2.0 -5,-0.2 4,-0.3 -0.226 51.8-147.3 -59.6 119.2 7.6 89.2 -10.3 277 94 A P T 3 S+ 0 0 67 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.727 95.0 50.3 -66.9 -20.5 3.9 88.7 -9.4 278 95 A L T 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.1 3,-0.3 0.456 81.4 101.0 -89.4 -0.8 4.2 85.0 -8.9 279 96 A Q H <> S+ 0 0 28 -3,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.896 81.2 47.0 -53.6 -50.1 7.2 85.4 -6.5 280 97 A N H > S+ 0 0 87 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.859 111.5 51.0 -62.7 -37.0 5.3 85.0 -3.3 281 98 A A H > S+ 0 0 1 -3,-0.3 4,-2.6 -4,-0.3 -1,-0.2 0.884 109.8 51.3 -62.1 -41.9 3.4 81.9 -4.6 282 99 A I H X S+ 0 0 46 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.904 111.1 47.4 -62.4 -42.6 6.8 80.4 -5.6 283 100 A I H X S+ 0 0 19 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.929 113.9 46.9 -65.2 -48.0 8.2 81.0 -2.1 284 101 A E H X S+ 0 0 17 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.913 114.9 47.0 -58.1 -46.5 5.1 79.6 -0.4 285 102 A F H >X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 3,-0.8 0.939 115.1 45.1 -61.5 -50.1 5.2 76.6 -2.7 286 103 A Y H 3X S+ 0 0 15 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.923 109.5 54.0 -62.3 -46.4 8.9 76.0 -2.2 287 104 A T H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.623 115.5 41.6 -69.3 -11.8 8.9 76.4 1.5 288 105 A E H << S+ 0 0 30 -3,-0.8 -1,-0.2 -4,-0.7 3,-0.2 0.772 125.2 29.8 -99.0 -37.1 6.2 73.8 1.8 289 106 A Y H >< S+ 0 0 35 -4,-2.1 3,-1.4 1,-0.1 7,-0.4 0.290 84.6 102.1-112.6 8.4 7.3 71.1 -0.7 290 107 A Y T 3< S+ 0 0 16 -4,-1.7 -1,-0.1 1,-0.3 -3,-0.1 0.715 90.5 43.1 -66.1 -21.9 11.1 71.5 -0.7 291 108 A K T 3 S+ 0 0 61 -277,-0.3 2,-0.8 -3,-0.2 -1,-0.3 0.248 90.5 100.4-104.6 9.0 11.4 68.3 1.5 292 109 A T X> - 0 0 49 -3,-1.4 4,-3.6 1,-0.1 3,-0.7 -0.850 60.5-157.9 -98.2 104.7 8.8 66.3 -0.5 293 110 A N H 3> S+ 0 0 140 -2,-0.8 4,-0.9 1,-0.2 -1,-0.1 0.762 88.6 58.0 -53.5 -32.5 10.7 64.0 -2.8 294 111 A S H 3> S+ 0 0 78 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.918 122.0 22.3 -63.5 -48.9 7.8 63.7 -5.2 295 112 A I H X> S+ 0 0 15 -3,-0.7 4,-1.8 -6,-0.2 3,-0.7 0.863 116.6 64.5 -88.1 -42.3 7.5 67.4 -6.0 296 113 A N H 3X S+ 0 0 7 -4,-3.6 4,-1.1 -7,-0.4 -3,-0.2 0.673 96.7 59.5 -59.8 -20.7 11.1 68.4 -5.0 297 114 A E H 3X S+ 0 0 63 -4,-0.9 4,-1.0 -5,-0.3 -1,-0.3 0.913 107.5 44.9 -69.7 -45.8 12.3 66.2 -7.9 298 115 A K H X S+ 0 0 18 -4,-1.2 3,-1.3 2,-0.2 4,-0.7 0.955 113.2 49.2 -60.9 -53.8 13.3 73.8 -13.2 303 120 A E H >X S+ 0 0 54 -4,-2.5 4,-1.7 1,-0.3 3,-1.3 0.865 102.1 63.6 -56.2 -38.0 16.2 74.9 -11.1 304 121 A N H 3X S+ 0 0 64 -4,-2.5 4,-1.8 1,-0.3 -1,-0.3 0.727 92.1 63.0 -64.4 -22.4 18.7 73.1 -13.4 305 122 A K H S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.3 6,-0.7 0.891 107.0 50.5 -58.2 -43.6 34.2 82.2 -20.7 318 135 A N H ><5S+ 0 0 49 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.947 112.2 47.4 -55.5 -50.9 36.7 79.4 -20.6 319 136 A L H 3<5S+ 0 0 127 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.812 113.3 48.1 -62.5 -33.4 36.7 79.2 -24.4 320 137 A N H 3<5S- 0 0 107 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.466 113.5-117.8 -86.9 -5.3 37.1 82.9 -24.7 321 138 A G T <<5S+ 0 0 62 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.756 75.3 129.2 74.7 26.7 40.0 83.0 -22.2 322 139 A E S + 0 0 92 1,-0.2 4,-1.9 2,-0.1 -1,-0.3 -0.822 63.1 170.8-103.8 91.4 34.8 72.2 -12.6 328 145 A V H > S+ 0 0 16 -2,-0.9 4,-2.4 -3,-0.3 -1,-0.2 0.827 77.4 58.5 -70.2 -31.6 32.3 74.4 -14.4 329 146 A N H > S+ 0 0 88 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.929 108.6 43.5 -61.7 -49.3 29.4 72.2 -13.0 330 147 A A H > S+ 0 0 14 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.916 115.6 47.8 -60.8 -48.0 30.4 72.9 -9.4 331 148 A V H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.873 109.8 53.2 -67.0 -36.5 31.0 76.6 -10.0 332 149 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.871 111.4 45.5 -64.4 -40.8 27.6 77.0 -11.9 333 150 A K H X S+ 0 0 72 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.902 113.3 50.7 -66.3 -43.5 25.7 75.5 -9.0 334 151 A I H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.2 0.950 111.8 46.2 -61.6 -51.5 27.6 77.6 -6.5 335 152 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.939 113.9 49.1 -52.4 -50.1 26.9 80.8 -8.4 336 153 A A H X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.875 116.0 41.3 -62.8 -41.8 23.2 80.0 -8.8 337 154 A N H X S+ 0 0 22 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.900 116.9 48.7 -72.9 -41.4 22.7 79.1 -5.2 338 155 A A H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.3 -2,-0.2 0.905 111.8 48.2 -66.3 -44.1 24.7 82.0 -3.9 339 156 A V H X S+ 0 0 0 -4,-3.1 4,-2.2 -5,-0.2 -2,-0.2 0.939 113.1 47.9 -62.5 -47.8 23.0 84.6 -6.2 340 157 A N H X S+ 0 0 30 -4,-1.7 4,-2.7 -5,-0.3 5,-0.2 0.793 106.7 56.8 -67.9 -24.9 19.6 83.4 -5.2 341 158 A G H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 5,-0.4 0.933 107.8 48.6 -63.4 -48.0 20.5 83.4 -1.5 342 159 A I H X S+ 0 0 4 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.913 115.6 44.8 -56.9 -43.2 21.3 87.1 -1.9 343 160 A V H < S+ 0 0 7 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.944 120.2 37.7 -69.0 -46.3 18.1 87.7 -3.7 344 161 A T H < S+ 0 0 33 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.903 121.7 38.1 -76.1 -41.4 15.8 85.7 -1.3 345 162 A F H < S+ 0 0 8 -4,-2.8 2,-0.3 -5,-0.2 -1,-0.2 0.593 86.8 104.3 -95.2 -10.9 17.3 86.4 2.1 346 163 A T < - 0 0 8 -4,-1.0 8,-0.0 -5,-0.4 -199,-0.0 -0.565 47.8-169.8 -74.3 131.6 18.2 90.1 1.8 347 164 A H + 0 0 51 -2,-0.3 2,-0.2 -234,-0.1 -1,-0.1 0.498 43.3 122.0-102.5 -8.6 15.7 92.3 3.6 348 165 A E - 0 0 22 1,-0.2 6,-0.1 2,-0.1 -2,-0.0 -0.418 44.9-163.8 -55.9 118.4 16.8 95.8 2.3 349 166 A Q + 0 0 75 -2,-0.2 2,-0.7 4,-0.0 -1,-0.2 0.782 64.9 97.2 -76.9 -28.2 13.7 97.2 0.6 350 167 A N > - 0 0 91 1,-0.2 4,-1.8 2,-0.1 3,-0.4 -0.500 62.7-160.8 -65.6 109.2 15.8 99.8 -1.2 351 168 A I H > S+ 0 0 43 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.795 86.7 62.4 -66.3 -26.7 16.3 98.2 -4.6 352 169 A N H > S+ 0 0 119 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 106.5 43.7 -63.5 -44.6 19.3 100.5 -5.3 353 170 A E H > S+ 0 0 71 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.871 111.2 54.8 -69.7 -39.7 21.2 99.0 -2.3 354 171 A R H X S+ 0 0 27 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.906 108.2 49.0 -57.2 -42.9 20.2 95.5 -3.3 355 172 A I H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.902 110.3 51.1 -65.7 -43.0 21.6 96.1 -6.8 356 173 A K H X S+ 0 0 122 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.901 109.9 49.4 -57.9 -47.2 24.9 97.4 -5.4 357 174 A L H X S+ 0 0 4 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.907 111.0 50.1 -61.9 -42.0 25.3 94.4 -3.1 358 175 A M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.908 110.7 48.0 -64.0 -43.2 24.6 92.0 -6.0 359 176 A N H X S+ 0 0 44 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.872 110.8 51.9 -65.3 -38.0 27.2 93.7 -8.3 360 177 A K H X S+ 0 0 86 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.952 109.4 50.7 -58.7 -50.8 29.7 93.6 -5.4 361 178 A F H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.912 109.4 50.2 -49.2 -51.2 29.0 89.9 -5.1 362 179 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.879 111.8 48.5 -60.3 -39.9 29.6 89.4 -8.8 363 180 A Q H X S+ 0 0 96 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.955 114.0 44.9 -62.8 -52.2 32.9 91.3 -8.6 364 181 A I H X S+ 0 0 6 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.961 115.1 49.1 -56.2 -49.8 34.1 89.3 -5.6 365 182 A F H X S+ 0 0 0 -4,-3.2 4,-1.0 -5,-0.2 -2,-0.2 0.934 113.8 43.2 -59.3 -52.8 33.0 86.0 -7.1 366 183 A L H >< S+ 0 0 1 -4,-2.3 3,-0.9 1,-0.2 4,-0.5 0.918 112.2 54.2 -61.3 -42.7 34.6 86.6 -10.5 367 184 A N H >< S+ 0 0 64 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.847 104.9 56.4 -58.9 -32.2 37.8 87.9 -8.8 368 185 A G H 3< S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.745 97.2 62.4 -70.7 -24.5 37.9 84.7 -6.8 369 186 A L T << 0 0 21 -4,-1.0 -45,-0.4 -3,-0.9 -1,-0.2 0.608 360.0 360.0 -76.6 -13.3 38.0 82.6 -10.0 370 187 A S < 0 0 102 -3,-0.9 -47,-0.0 -4,-0.5 -45,-0.0 -0.720 360.0 360.0 -84.0 360.0 41.3 84.2 -11.0