==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN, HYDROLASE/ANTIBIOTIC 12-AUG-10 3OE0 . COMPND 2 MOLECULE: C-X-C CHEMOKINE RECEPTOR TYPE 4, LYSOZYME CHIMERA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS, ENTEROBACTERIA PHAGE T4; . AUTHOR B.WU,C.D.MOL,G.W.HAN,V.KATRITCH,E.Y.T.CHIEN,W.LIU,V.CHEREZOV . 448 5 3 1 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 79.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 4.7 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 19 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 263 58.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.3 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 3 1 2 2 3 0 0 1 1 0 1 0 1 0 1 2 0 0 1 0 0 0 0 1 1 1 RESIDUES PER ALPHA HELIX . 0 1 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 . 2 0 1 1 1 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 . 2 1 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 25 A K 0 0 241 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.9 41.9 46.6 10.1 2 26 A E - 0 0 156 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.529 360.0 -92.1 -70.9 148.4 45.6 46.8 10.6 3 27 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.242 41.4 -99.5 -67.0 152.8 47.2 43.4 11.3 4 28 A a - 0 0 38 -3,-0.1 2,-0.4 401,-0.1 401,-0.0 -0.560 37.2-137.8 -70.0 131.5 47.8 42.1 14.8 5 29 A F - 0 0 169 -2,-0.3 2,-0.4 -3,-0.1 405,-0.1 -0.787 19.1-171.7 -93.7 131.9 51.3 42.6 16.0 6 30 A R - 0 0 57 -2,-0.4 2,-0.2 404,-0.0 400,-0.0 -0.949 21.5-123.6-117.8 146.5 53.1 39.9 17.9 7 31 A E - 0 0 98 -2,-0.4 2,-0.3 1,-0.0 0, 0.0 -0.551 21.8-119.5 -83.1 148.4 56.5 40.3 19.6 8 32 A E - 0 0 124 -2,-0.2 2,-0.5 4,-0.0 -1,-0.0 -0.672 29.1-136.1 -79.0 144.8 59.4 38.0 18.7 9 33 A N > - 0 0 75 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 -0.932 11.4-160.8-111.3 121.6 60.5 36.1 21.9 10 34 A A H > S+ 0 0 60 -2,-0.5 4,-4.0 2,-0.2 5,-0.5 0.994 89.8 48.9 -63.8 -64.1 64.3 35.9 22.5 11 35 A N H >>S+ 0 0 108 1,-0.2 5,-2.8 2,-0.2 4,-1.7 0.785 113.9 49.8 -47.3 -35.5 64.3 32.9 25.0 12 36 A F H 4>S+ 0 0 38 3,-0.2 5,-2.5 2,-0.2 -1,-0.2 0.962 121.0 32.5 -67.0 -54.5 62.1 31.0 22.6 13 37 A N H <5S+ 0 0 39 -4,-2.1 -2,-0.2 3,-0.2 -3,-0.2 0.791 128.4 39.4 -71.2 -31.4 64.2 31.6 19.5 14 38 A K H <5S+ 0 0 121 -4,-4.0 -3,-0.2 -5,-0.2 -2,-0.2 0.776 133.8 6.8 -95.9 -32.3 67.6 31.7 21.4 15 39 A I T X5S+ 0 0 96 -4,-1.7 4,-1.9 -5,-0.5 -3,-0.2 0.747 122.6 49.6-116.7 -57.3 67.3 28.9 24.0 16 40 A F H > S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.914 110.8 52.3 -58.2 -38.6 67.8 25.3 19.5 19 43 A T H X S+ 0 0 68 -4,-1.9 4,-2.4 2,-0.2 3,-0.4 0.984 114.5 40.3 -55.4 -61.3 67.7 23.0 22.6 20 44 A I H X S+ 0 0 20 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.938 112.7 54.8 -54.9 -53.0 64.8 20.9 21.2 21 45 A Y H X S+ 0 0 9 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.842 111.7 46.6 -52.7 -36.4 66.2 20.9 17.6 22 46 A S H X S+ 0 0 58 -4,-2.0 4,-3.0 -3,-0.4 5,-0.2 0.976 110.2 49.2 -70.4 -56.6 69.5 19.5 19.0 23 47 A I H X S+ 0 0 78 -4,-2.4 4,-2.2 1,-0.2 5,-0.4 0.918 115.6 46.1 -47.1 -48.7 68.0 16.7 21.2 24 48 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.892 112.5 50.8 -62.3 -42.2 65.9 15.6 18.3 25 49 A F H X S+ 0 0 60 -4,-1.8 4,-4.7 -5,-0.3 5,-0.3 0.940 113.3 43.5 -62.2 -52.1 68.8 15.7 15.9 26 50 A L H X S+ 0 0 112 -4,-3.0 4,-2.1 2,-0.2 5,-0.4 0.992 120.6 39.2 -56.3 -65.4 71.1 13.6 18.1 27 51 A T H X S+ 0 0 70 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.791 124.3 44.8 -61.5 -27.5 68.6 11.0 19.1 28 52 A G H X>S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.4 5,-0.6 0.954 108.1 51.4 -76.3 -55.6 67.3 11.2 15.5 29 53 A I H X5S+ 0 0 59 -4,-4.7 4,-0.9 1,-0.2 -2,-0.2 0.862 120.9 35.9 -57.2 -38.0 70.5 11.2 13.4 30 54 A V H X5S+ 0 0 82 -4,-2.1 4,-3.2 -5,-0.3 5,-0.3 0.954 115.4 54.2 -77.0 -51.8 71.8 8.1 15.3 31 55 A G H X5S+ 0 0 15 -4,-1.2 4,-1.5 -5,-0.4 -2,-0.2 0.862 116.7 35.0 -52.6 -48.3 68.4 6.3 15.7 32 56 A N H X5S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.877 115.0 58.8 -75.1 -38.5 67.4 6.3 12.0 33 57 A G H X> 0 0 97 0, 0.0 4,-1.7 0, 0.0 3,-0.8 0.000 360.0 360.0 360.0 116.5 59.0 -8.9 6.8 45 72 A M H 3> + 0 0 26 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.842 360.0 59.0 -56.1 -39.3 56.8 -6.4 4.9 46 73 A T H 3> S+ 0 0 18 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.821 106.0 48.8 -67.6 -31.0 56.1 -4.2 8.0 47 74 A D H <> S+ 0 0 47 -3,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.907 103.3 62.0 -68.4 -42.0 59.9 -3.6 8.3 48 75 A K H X S+ 0 0 81 -4,-1.7 4,-1.7 1,-0.3 3,-0.4 0.909 104.4 47.8 -50.8 -46.7 60.2 -2.8 4.6 49 76 A Y H X S+ 0 0 1 -4,-1.7 4,-2.9 1,-0.2 -1,-0.3 0.878 109.2 53.3 -63.5 -36.9 57.8 0.2 5.1 50 77 A R H X S+ 0 0 19 -4,-1.0 4,-2.5 -3,-0.2 -1,-0.2 0.750 100.8 61.0 -73.5 -22.9 59.8 1.3 8.1 51 78 A L H X S+ 0 0 41 -4,-1.9 4,-1.5 -3,-0.4 -2,-0.2 0.992 110.2 41.2 -59.0 -60.0 62.9 1.3 6.1 52 79 A H H >X S+ 0 0 23 -4,-1.7 4,-2.4 1,-0.2 3,-1.0 0.938 114.0 53.0 -45.0 -57.9 61.3 3.9 3.8 53 80 A L H 3X S+ 0 0 3 -4,-2.9 4,-1.9 1,-0.3 -1,-0.2 0.895 108.9 49.2 -49.3 -46.9 59.9 5.7 6.9 54 81 A S H 3X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.3 0.738 109.2 52.0 -70.9 -24.2 63.3 6.0 8.5 55 82 A V H < S+ 0 0 0 -4,-0.7 3,-2.4 -5,-0.1 4,-0.4 0.930 106.1 54.7 -75.0 -50.7 64.6 15.6 7.6 61 88 A V H >< S+ 0 0 0 -4,-2.7 3,-2.8 1,-0.3 -2,-0.2 0.909 100.4 59.4 -58.6 -42.4 66.8 15.4 10.7 62 89 A I T 3< S+ 0 0 88 -4,-2.1 -1,-0.3 1,-0.3 4,-0.2 0.601 100.8 60.3 -63.3 -5.6 69.9 16.4 8.7 63 90 A T T <> S+ 0 0 5 -3,-2.4 4,-1.5 -5,-0.2 3,-0.5 0.598 84.7 81.4 -89.5 -13.0 68.0 19.6 7.9 64 91 A L H <> S+ 0 0 1 -3,-2.8 4,-2.3 -4,-0.4 5,-0.2 0.879 77.4 63.4 -67.8 -42.6 67.6 20.6 11.6 65 92 A P H > S+ 0 0 58 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.889 106.7 47.9 -47.2 -39.5 71.0 22.2 12.1 66 93 A F H > S+ 0 0 55 -3,-0.5 4,-2.5 1,-0.2 5,-0.3 0.982 108.9 52.5 -64.3 -55.5 70.0 24.8 9.5 67 94 A W H X S+ 0 0 24 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.799 111.9 49.1 -42.9 -38.1 66.6 25.3 11.3 68 95 A A H X S+ 0 0 15 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.933 109.9 45.4 -76.8 -48.7 68.5 25.9 14.5 69 96 A V H X>S+ 0 0 55 -4,-2.3 4,-1.9 1,-0.2 5,-1.3 0.786 112.7 55.1 -67.6 -25.4 71.1 28.4 13.3 70 97 A D H <5S+ 0 0 33 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.891 106.7 51.8 -65.2 -42.7 68.2 30.2 11.6 71 98 A A H <5S+ 0 0 9 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.893 121.6 27.7 -62.1 -44.3 66.4 30.3 14.9 72 99 A V H <5S+ 0 0 44 -4,-1.9 -2,-0.2 2,-0.1 -3,-0.2 0.911 134.3 1.1 -87.5 -44.9 69.2 31.9 16.9 73 100 A A T <5S- 0 0 39 -4,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.863 99.8 -58.1-115.9 -74.1 71.3 34.0 14.4 74 101 A N < - 0 0 21 -5,-1.3 2,-0.9 82,-0.1 -1,-0.3 -0.954 49.4 -85.6-172.6 166.7 70.5 34.4 10.7 75 102 A W + 0 0 6 82,-0.8 3,-0.4 -2,-0.3 83,-0.1 -0.806 47.9 165.2 -96.1 95.7 70.1 32.5 7.4 76 103 A Y + 0 0 158 -2,-0.9 -1,-0.1 1,-0.2 -10,-0.0 0.528 51.6 82.5 -82.4 -6.6 73.7 32.2 6.2 77 104 A F S > S- 0 0 64 1,-0.2 4,-0.6 -11,-0.1 -1,-0.2 0.167 85.4-119.8-104.7 17.0 73.1 29.5 3.5 78 105 A G H > - 0 0 42 -3,-0.4 4,-0.7 1,-0.1 -1,-0.2 -0.032 39.3 -70.1 73.4 179.8 71.9 31.1 0.3 79 106 A N H > S+ 0 0 57 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.746 122.2 58.8 -89.7 -26.6 68.6 30.5 -1.6 80 107 A F H > S+ 0 0 167 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 110.6 44.1 -66.8 -43.6 69.0 27.0 -3.0 81 108 A L H X S+ 0 0 65 -4,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.775 108.6 58.9 -74.3 -25.5 69.5 25.6 0.5 82 109 A b H X S+ 0 0 0 -4,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.902 110.3 42.7 -65.1 -41.9 66.5 27.7 1.7 83 110 A K H X S+ 0 0 36 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.893 111.3 54.8 -67.8 -41.7 64.3 26.0 -0.8 84 111 A A H X S+ 0 0 28 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.813 104.4 55.6 -64.4 -32.4 65.8 22.6 -0.1 85 112 A V H X S+ 0 0 9 -4,-1.5 4,-1.3 2,-0.2 -1,-0.2 0.910 112.8 39.7 -68.3 -43.0 65.0 23.0 3.6 86 113 A H H X S+ 0 0 6 -4,-1.2 4,-2.1 2,-0.2 -2,-0.2 0.855 114.7 54.7 -74.8 -34.8 61.3 23.7 2.9 87 114 A V H >X S+ 0 0 16 -4,-2.6 4,-2.5 2,-0.2 3,-0.5 0.992 107.2 48.2 -59.0 -61.5 61.1 21.0 0.2 88 115 A I H 3X S+ 0 0 33 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.858 110.3 54.3 -47.5 -41.2 62.5 18.2 2.4 89 116 A Y H 3X S+ 0 0 0 -4,-1.3 4,-2.4 1,-0.2 -1,-0.3 0.926 108.1 47.6 -63.0 -45.2 60.0 19.2 5.1 90 117 A T H S+ 0 0 60 -4,-1.8 4,-2.1 1,-0.2 5,-0.8 0.937 113.3 41.6 -55.3 -45.0 44.3 -5.2 6.3 109 136 A L H X5S+ 0 0 28 -4,-2.6 4,-0.8 3,-0.2 -2,-0.2 0.921 114.4 49.7 -69.2 -45.6 45.5 -7.5 3.5 110 137 A A H <5S+ 0 0 13 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.864 125.3 27.8 -63.4 -34.8 47.5 -9.8 5.7 111 138 A I H ><5S+ 0 0 18 -4,-2.5 3,-0.9 -5,-0.1 -2,-0.2 0.924 125.3 38.2 -97.1 -55.3 44.6 -10.3 8.1 112 139 A V H 3<5S+ 0 0 26 -4,-2.1 3,-0.2 -5,-0.5 -3,-0.2 0.905 133.2 27.8 -67.2 -38.2 41.3 -9.8 6.4 113 140 A H T >< + 0 0 4 -3,-0.5 4,-1.6 -2,-0.1 5,-0.2 0.008 45.8 110.2-133.9 18.9 46.9 -11.8 -0.5 118 145 A Q H > S+ 0 0 142 2,-0.2 4,-1.1 -4,-0.1 -8,-0.1 0.861 80.6 50.3 -63.2 -35.2 50.6 -12.6 -0.5 119 146 A R H >> S+ 0 0 170 2,-0.2 4,-1.8 1,-0.2 3,-1.0 0.992 110.0 42.6 -65.5 -68.1 50.7 -11.2 -4.1 120 147 A P H 3> S+ 0 0 56 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.767 111.7 58.0 -58.4 -24.9 49.0 -7.8 -3.7 121 148 A R H 3X S+ 0 0 18 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.864 105.7 50.5 -67.9 -37.2 51.0 -7.2 -0.5 122 149 A K H S+ 0 0 99 -4,-1.8 5,-2.7 1,-0.2 4,-1.8 0.817 109.6 55.4 -65.5 -29.8 53.3 -5.2 -5.2 124 151 A L H <>S+ 0 0 28 -4,-1.5 5,-1.6 -5,-0.3 -1,-0.2 0.929 117.4 35.9 -65.8 -42.1 52.1 -2.7 -2.6 125 152 A A H <5S+ 0 0 3 -4,-1.7 -2,-0.2 3,-0.1 -1,-0.2 0.879 127.4 34.4 -78.7 -42.2 55.6 -2.9 -0.9 126 153 A E H <5S+ 0 0 78 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.799 136.4 5.5 -86.8 -31.8 57.8 -3.2 -3.9 127 154 A K T >X5S+ 0 0 130 -4,-1.8 3,-1.9 -5,-0.4 4,-1.0 0.772 119.6 52.4-118.7 -65.7 56.0 -1.1 -6.5 128 155 A V H 3>XS+ 0 0 0 -5,-1.6 5,-1.2 -6,-0.4 4,-1.1 0.831 102.0 44.9 -48.6 -35.3 54.7 2.6 -2.6 130 157 A Y H <4>S+ 0 0 119 -3,-1.9 5,-1.8 3,-0.2 -1,-0.2 0.882 115.8 44.7 -76.8 -41.2 56.7 4.6 -5.2 131 158 A V H <5S+ 0 0 109 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.696 124.9 32.9 -73.6 -21.9 53.7 5.5 -7.4 132 159 A G H <5S+ 0 0 32 -4,-2.4 -2,-0.2 3,-0.1 -3,-0.2 0.510 129.7 22.3-117.5 -8.0 51.4 6.4 -4.4 133 160 A V T X5S+ 0 0 5 -4,-1.1 4,-2.0 -5,-0.4 -3,-0.2 0.653 123.0 33.2-124.1 -63.6 53.7 7.9 -1.7 134 161 A W H > S+ 0 0 43 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.896 113.4 50.2 -61.8 -35.6 53.1 12.4 -5.2 137 164 A A H X S+ 0 0 2 -4,-2.0 4,-0.5 -3,-0.4 3,-0.4 0.975 112.6 47.8 -58.9 -50.9 55.1 13.6 -2.2 138 165 A L H >< S+ 0 0 97 -4,-3.5 3,-1.5 1,-0.2 4,-0.3 0.914 109.7 51.2 -57.2 -46.3 57.7 14.9 -4.6 139 166 A L H >< S+ 0 0 113 -4,-3.2 3,-1.3 -5,-0.3 -1,-0.2 0.818 102.6 61.5 -62.9 -29.7 55.1 16.7 -6.9 140 167 A L H 3< S+ 0 0 47 -4,-1.6 -1,-0.3 -3,-0.4 4,-0.2 0.618 90.4 68.7 -71.6 -12.9 53.6 18.4 -3.9 141 168 A T T XX + 0 0 4 -3,-1.5 4,-1.7 -4,-0.5 3,-1.5 0.604 69.3 100.2 -79.8 -10.0 56.9 20.2 -3.2 142 169 A I H <> S+ 0 0 92 -3,-1.3 4,-1.9 1,-0.3 -1,-0.2 0.884 79.8 51.1 -41.2 -54.5 56.4 22.3 -6.4 143 170 A P H 3> S+ 0 0 17 0, 0.0 4,-3.3 0, 0.0 5,-0.4 0.804 105.0 57.4 -54.7 -33.4 55.1 25.3 -4.4 144 171 A D H <> S+ 0 0 1 -3,-1.5 4,-2.3 -4,-0.2 -2,-0.2 0.960 105.8 49.1 -64.8 -48.8 58.2 25.1 -2.1 145 172 A F H < S+ 0 0 111 -4,-1.7 -1,-0.2 2,-0.2 -3,-0.1 0.896 119.8 40.0 -52.8 -42.0 60.5 25.5 -5.1 146 173 A I H < S+ 0 0 98 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.988 127.2 25.8 -72.6 -59.1 58.4 28.4 -6.3 147 174 A F H < S+ 0 0 28 -4,-3.3 15,-2.2 -5,-0.1 2,-0.8 0.534 90.9 99.6 -93.2 -12.5 57.6 30.4 -3.0 148 175 A A E < +A 161 0A 0 -4,-2.3 2,-0.3 -5,-0.4 13,-0.2 -0.705 53.6 147.4 -77.8 108.9 60.5 29.4 -0.6 149 176 A N E -A 160 0A 67 11,-2.1 11,-1.4 -2,-0.8 2,-0.3 -0.969 49.6-105.1-143.6 156.5 62.9 32.4 -0.8 150 177 A V E -A 159 0A 43 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.661 35.3-169.9 -83.0 136.9 65.3 34.4 1.3 151 178 A S E -A 158 0A 20 7,-2.7 7,-2.4 -2,-0.3 2,-0.5 -0.982 21.9-128.1-129.4 140.0 64.2 37.8 2.6 152 179 A E E +A 157 0A 137 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.763 41.0 160.0 -87.1 124.3 66.2 40.6 4.3 153 180 A A - 0 0 37 3,-2.9 3,-0.3 -2,-0.5 -2,-0.1 -0.869 58.5 -8.5-154.2 113.9 64.4 41.7 7.5 154 181 A D S S- 0 0 156 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.959 125.7 -51.6 67.4 54.0 65.7 43.5 10.6 155 182 A D S S+ 0 0 165 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.639 126.0 77.2 55.0 24.2 69.4 43.5 9.7 156 183 A R S S- 0 0 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-1,-0.2 0.846 111.3 51.4 -67.2 -39.1 24.6 -14.5 19.7 267 1067 A F H X S+ 0 0 3 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.894 105.4 55.5 -65.1 -41.8 28.1 -15.8 19.9 268 1068 A N H X S+ 0 0 48 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.915 105.2 52.8 -59.1 -43.3 29.5 -12.2 19.7 269 1069 A Q H X S+ 0 0 97 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.887 109.2 49.3 -56.2 -41.5 27.4 -11.3 22.8 270 1070 A D H X S+ 0 0 40 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.781 109.6 51.5 -72.5 -26.7 28.8 -14.3 24.6 271 1071 A V H X S+ 0 0 15 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.961 108.7 52.2 -67.2 -50.3 32.3 -13.2 23.7 272 1072 A D H X S+ 0 0 80 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.941 111.7 44.4 -47.1 -61.8 31.6 -9.7 25.0 273 1073 A A H X S+ 0 0 58 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.870 113.8 51.2 -51.6 -43.6 30.4 -10.9 28.4 274 1074 A A H X S+ 0 0 16 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.918 110.6 48.0 -63.2 -44.4 33.4 -13.3 28.6 275 1075 A V H X S+ 0 0 28 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.868 109.0 53.5 -65.4 -39.3 35.8 -10.6 27.8 276 1076 A R H X S+ 0 0 126 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.910 108.0 51.9 -60.7 -43.2 34.2 -8.3 30.4 277 1077 A G H >< S+ 0 0 16 -4,-2.2 3,-0.7 -5,-0.2 -2,-0.2 0.920 109.3 49.6 -54.4 -46.9 34.6 -11.1 33.0 278 1078 A I H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.3 7,-0.4 0.926 108.1 51.9 -62.9 -45.9 38.3 -11.3 32.1 279 1079 A L H 3< S+ 0 0 71 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.683 110.1 52.2 -62.7 -19.4 38.9 -7.6 32.4 280 1080 A R T << S+ 0 0 189 -4,-0.9 2,-0.4 -3,-0.7 -1,-0.3 -0.195 91.1 91.7-109.3 40.3 37.3 -7.8 35.9 281 1081 A N <> - 0 0 32 -3,-1.2 4,-2.6 1,-0.1 3,-0.3 -0.881 66.7-146.5-142.9 103.8 39.5 -10.6 37.2 282 1082 A A T 4 S+ 0 0 93 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.755 100.7 42.1 -38.8 -40.3 42.7 -9.9 39.1 283 1083 A K T > S+ 0 0 130 2,-0.1 4,-0.7 1,-0.1 -1,-0.2 0.939 120.9 36.0 -74.1 -52.1 44.3 -13.1 37.7 284 1084 A L H > S+ 0 0 0 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.848 102.5 70.1 -79.5 -35.3 43.2 -13.0 34.0 285 1085 A K H X S+ 0 0 99 -4,-2.6 4,-2.5 -7,-0.4 5,-0.2 0.946 100.8 45.2 -49.7 -60.4 43.3 -9.2 33.3 286 1086 A P H > S+ 0 0 47 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.882 116.3 47.0 -54.5 -38.1 47.1 -8.8 33.4 287 1087 A V H X S+ 0 0 2 -4,-0.7 4,-1.3 1,-0.2 -2,-0.2 0.922 112.0 48.6 -69.8 -45.6 47.6 -12.0 31.2 288 1088 A Y H < S+ 0 0 29 -4,-3.0 -1,-0.2 1,-0.2 3,-0.2 0.879 109.6 54.1 -60.6 -38.7 45.0 -11.1 28.7 289 1089 A D H < S+ 0 0 74 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.825 107.2 49.5 -67.0 -34.9 46.4 -7.6 28.3 290 1090 A S H < S+ 0 0 40 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.768 99.0 87.7 -73.4 -28.5 50.0 -8.8 27.6 291 1091 A L S < S- 0 0 3 -4,-1.3 2,-0.1 -3,-0.2 31,-0.0 -0.253 75.0-121.0 -75.2 160.9 48.7 -11.2 24.9 292 1092 A D > - 0 0 5 1,-0.0 4,-2.4 -2,-0.0 5,-0.2 -0.200 39.1 -85.2 -87.8-178.9 48.2 -10.5 21.2 293 1093 A A H > S+ 0 0 24 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.890 126.6 42.6 -55.8 -46.1 45.0 -10.8 19.1 294 1094 A V H > S+ 0 0 21 62,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.862 115.4 47.1 -74.0 -39.1 45.5 -14.6 18.4 295 1095 A R H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.818 105.5 59.3 -77.1 -31.0 46.5 -15.6 21.9 296 1096 A R H X S+ 0 0 66 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.955 104.3 52.8 -52.7 -50.9 43.6 -13.6 23.4 297 1097 A A H X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.860 105.6 54.7 -51.5 -41.5 41.5 -15.9 21.3 298 1098 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.957 111.0 43.3 -57.2 -51.9 43.3 -18.9 22.8 299 1099 A L H X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.897 110.7 55.2 -62.8 -41.3 42.4 -17.7 26.3 300 1100 A I H X S+ 0 0 3 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.863 104.6 55.3 -61.3 -36.5 38.8 -16.8 25.4 301 1101 A N H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.962 107.6 48.3 -58.3 -52.3 38.4 -20.4 24.1 302 1102 A M H X S+ 0 0 4 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.898 110.3 51.1 -58.2 -46.4 39.5 -21.8 27.5 303 1103 A V H X S+ 0 0 12 -4,-2.3 4,-3.5 1,-0.2 -1,-0.2 0.972 106.9 54.5 -53.5 -56.5 37.2 -19.6 29.4 304 1104 A F H < S+ 0 0 42 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.843 113.5 42.8 -45.6 -41.4 34.2 -20.6 27.2 305 1105 A Q H < S+ 0 0 54 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.962 134.0 12.0 -72.6 -50.5 34.9 -24.2 28.0 306 1106 A M H X S- 0 0 57 -4,-2.6 4,-0.6 -5,-0.1 -2,-0.2 0.315 103.0-108.6-120.4 6.1 35.6 -24.1 31.7 307 1107 A G H X - 0 0 35 -4,-3.5 4,-1.9 -5,-0.3 5,-0.2 0.319 40.3 -80.9 74.7 152.2 34.6 -20.6 33.0 308 1108 A E H > S+ 0 0 51 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.815 128.5 53.0 -65.3 -34.1 37.0 -18.0 34.1 309 1109 A T H > S+ 0 0 120 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.979 108.9 54.1 -58.6 -52.4 37.7 -19.3 37.6 310 1110 A G H >< S+ 0 0 36 -4,-0.6 3,-1.2 1,-0.2 4,-0.3 0.908 111.6 42.2 -42.5 -56.9 38.5 -22.6 36.0 311 1111 A V H >< S+ 0 0 1 -4,-1.9 3,-1.5 1,-0.3 -1,-0.2 0.842 105.6 63.9 -65.8 -33.0 41.0 -21.0 33.7 312 1112 A A H 3< S+ 0 0 17 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.685 88.2 74.7 -65.0 -17.7 42.5 -18.8 36.5 313 1113 A G T << + 0 0 55 -3,-1.2 2,-2.8 -4,-1.0 -1,-0.3 0.707 67.5 87.7 -68.0 -23.6 43.5 -22.0 38.2 314 1114 A F <> + 0 0 48 -3,-1.5 4,-2.8 -4,-0.3 5,-0.3 -0.253 55.6 165.9 -76.3 56.9 46.5 -22.7 35.9 315 1115 A T H > + 0 0 82 -2,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.819 69.7 40.7 -34.1 -55.3 48.7 -20.5 38.1 316 1116 A N H > S+ 0 0 85 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.954 115.3 46.0 -69.8 -57.5 52.0 -21.7 36.5 317 1117 A S H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 112.7 54.1 -53.2 -42.3 51.1 -21.8 32.9 318 1118 A L H X S+ 0 0 12 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.927 105.9 50.7 -58.6 -48.3 49.4 -18.3 33.3 319 1119 A R H X S+ 0 0 112 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.827 111.7 49.3 -63.9 -30.9 52.6 -16.8 34.8 320 1120 A M H <>S+ 0 0 31 -4,-1.8 5,-2.2 2,-0.2 4,-0.3 0.906 108.9 51.5 -70.5 -45.5 54.6 -18.2 31.8 321 1121 A L H ><5S+ 0 0 4 -4,-2.5 3,-2.8 1,-0.2 -2,-0.2 0.982 110.0 49.2 -53.3 -58.8 52.2 -16.9 29.2 322 1122 A Q H 3<5S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.860 112.4 48.8 -44.4 -44.3 52.4 -13.4 30.8 323 1123 A Q T 3<5S- 0 0 105 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.382 114.0-120.8 -82.5 1.6 56.2 -13.7 30.8 324 1124 A K T < 5 + 0 0 112 -3,-2.8 2,-1.2 -4,-0.3 -3,-0.2 0.667 67.1 139.3 67.1 22.2 56.1 -14.8 27.1 325 1125 A R >< + 0 0 109 -5,-2.2 4,-1.4 1,-0.2 3,-0.3 -0.674 26.3 173.8 -94.3 80.5 57.8 -18.2 27.7 326 1126 A W H > + 0 0 54 -2,-1.2 4,-1.9 1,-0.2 3,-0.4 0.887 64.7 51.1 -63.7 -52.1 55.5 -20.0 25.3 327 1127 A D H > S+ 0 0 103 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.839 110.4 50.8 -60.8 -35.8 56.9 -23.6 25.2 328 1128 A E H > S+ 0 0 83 -3,-0.3 4,-1.6 1,-0.2 -1,-0.3 0.844 108.8 52.4 -68.2 -35.1 57.0 -23.9 28.9 329 1129 A A H X S+ 0 0 1 -4,-1.4 4,-1.8 -3,-0.4 -2,-0.2 0.864 110.1 49.6 -64.6 -37.0 53.4 -22.7 29.0 330 1130 A A H X S+ 0 0 8 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.815 108.5 50.5 -73.9 -33.5 52.5 -25.5 26.5 331 1131 A V H X S+ 0 0 98 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.862 111.0 48.9 -75.5 -37.0 54.3 -28.3 28.4 332 1132 A N H >< S+ 0 0 57 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.965 114.4 44.1 -61.7 -55.6 52.5 -27.5 31.7 333 1133 A L H 3< S+ 0 0 3 -4,-1.8 6,-0.3 1,-0.3 3,-0.2 0.800 100.0 72.3 -60.7 -31.9 49.1 -27.3 30.1 334 1134 A A H 3< S+ 0 0 38 -4,-1.4 2,-0.5 1,-0.2 -1,-0.3 0.722 99.4 50.1 -57.1 -26.1 49.9 -30.5 28.1 335 1135 A K S << S+ 0 0 173 -3,-1.5 2,-0.3 -4,-0.5 -1,-0.2 -0.814 87.1 105.0-117.3 91.1 49.5 -32.4 31.4 336 1136 A S S > S- 0 0 27 -2,-0.5 4,-1.4 -3,-0.2 5,-0.1 -0.924 81.1-103.8-151.2 171.0 46.3 -31.4 33.0 337 1137 A R H > S+ 0 0 197 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.817 122.1 60.4 -71.4 -31.1 42.8 -32.8 33.6 338 1138 A W H > S+ 0 0 19 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 103.1 50.8 -55.0 -48.2 41.7 -30.5 30.8 339 1139 A Y H 4 S+ 0 0 63 -6,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.852 112.5 44.4 -62.5 -40.7 44.1 -32.3 28.4 340 1140 A N H < S+ 0 0 125 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.904 113.9 49.0 -71.6 -39.8 42.9 -35.8 29.2 341 1141 A Q H < S+ 0 0 131 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.838 133.9 10.6 -71.9 -35.4 39.1 -35.0 29.1 342 1142 A T S X S+ 0 0 50 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.3 -0.610 76.7 166.3-143.5 77.7 39.2 -33.1 25.8 343 1143 A P H > + 0 0 53 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.746 69.5 48.8 -77.4 -30.5 42.7 -33.8 24.2 344 1144 A N H > S+ 0 0 100 2,-0.2 4,-1.9 1,-0.1 5,-0.2 0.946 114.0 45.7 -76.7 -48.0 42.3 -32.6 20.6 345 1145 A R H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.940 114.1 51.3 -52.5 -50.7 40.7 -29.3 21.4 346 1146 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 -1,-0.2 0.910 107.8 51.1 -52.4 -50.3 43.4 -28.8 24.1 347 1147 A K H X S+ 0 0 108 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.850 112.3 45.8 -60.8 -41.4 46.3 -29.5 21.7 348 1148 A R H X S+ 0 0 65 -4,-1.9 4,-2.3 2,-0.2 12,-0.2 0.929 114.1 48.1 -65.5 -49.5 45.0 -27.0 19.1 349 1149 A V H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.886 114.6 47.5 -58.4 -41.0 44.4 -24.4 21.8 350 1150 A I H X S+ 0 0 11 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.910 109.0 52.0 -65.1 -46.0 47.9 -25.1 23.2 351 1151 A T H X S+ 0 0 29 -4,-2.7 4,-3.1 1,-0.2 5,-0.4 0.879 108.8 53.5 -56.7 -38.8 49.6 -25.0 19.7 352 1152 A T H X S+ 0 0 1 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.934 107.7 49.1 -59.9 -49.4 47.9 -21.6 19.4 353 1153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.871 116.1 44.6 -58.8 -37.7 49.4 -20.5 22.6 354 1154 A R H < S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.957 125.9 26.3 -72.4 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365 233 A Q S S+ 0 0 93 -2,-0.3 -1,-0.2 1,-0.1 -8,-0.0 0.952 74.7 139.8 42.6 77.1 54.3 -20.8 10.5 366 234 A K + 0 0 71 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.234 21.8 171.7-142.0 48.3 52.7 -17.5 9.4 367 235 A R - 0 0 109 -12,-0.1 2,-0.5 -10,-0.1 -10,-0.1 -0.451 8.6-173.5 -75.4 131.6 52.5 -15.0 12.4 368 236 A K - 0 0 84 -12,-0.3 2,-0.2 -2,-0.2 -2,-0.0 -0.964 10.3-154.8-127.6 115.2 51.5 -11.4 11.7 369 237 A A + 0 0 24 -2,-0.5 4,-0.1 1,-0.1 -77,-0.0 -0.609 21.5 174.9 -96.6 148.1 51.6 -8.9 14.6 370 238 A L >> + 0 0 24 -2,-0.2 4,-2.3 2,-0.1 3,-1.0 0.700 63.6 81.8-111.2 -39.8 49.7 -5.7 15.1 371 239 A K H 3> S+ 0 0 66 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.836 94.0 47.1 -49.3 -49.4 50.6 -4.4 18.5 372 240 A P H 3> S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.873 114.1 49.1 -62.0 -35.6 53.9 -2.7 17.5 373 241 A T H <> S+ 0 0 12 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.957 107.0 53.0 -68.2 -50.9 52.2 -1.0 14.5 374 242 A V H X S+ 0 0 59 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.877 110.5 49.4 -53.0 -40.0 49.2 0.4 16.5 375 243 A I H X 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