==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAY-10 3N5N . COMPND 2 MOLECULE: A/G-SPECIFIC ADENINE DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.TOTH,P.J.LUNCSFORD . 543 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28348.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 65.4 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 . 1 0.2 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 . 27 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 261 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 2 0 2 4 0 2 1 1 2 6 0 1 3 2 0 0 0 0 0 0 0 0 0 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 68 X S 0 0 111 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 13.9 4.1 23.3 -46.2 2 69 X S > + 0 0 88 3,-0.0 3,-1.6 0, 0.0 5,-0.2 0.207 360.0 24.9-144.5 -84.1 5.0 27.0 -46.5 3 70 X Y T 3 S+ 0 0 99 1,-0.3 223,-0.1 3,-0.1 0, 0.0 0.301 116.6 66.8 -77.8 9.2 5.7 29.3 -43.6 4 71 X H T 3 S+ 0 0 61 222,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.236 95.3 67.9-112.0 8.5 6.7 26.3 -41.7 5 72 X L S < S- 0 0 64 -3,-1.6 2,-0.8 179,-0.0 179,-0.0 -0.679 86.7-107.8-121.7 174.0 9.8 25.6 -43.8 6 73 X F + 0 0 5 -2,-0.2 -3,-0.1 1,-0.2 6,-0.1 -0.841 40.5 170.4-105.5 93.4 13.2 27.2 -44.6 7 74 X R + 0 0 99 -2,-0.8 2,-0.5 -5,-0.2 -1,-0.2 0.818 55.6 60.0 -74.2 -35.9 12.6 28.5 -48.1 8 75 X D >> - 0 0 85 1,-0.1 4,-1.6 2,-0.0 3,-0.9 -0.864 65.3-147.4-109.8 132.3 15.8 30.6 -48.4 9 76 X V H 3> S+ 0 0 112 -2,-0.5 4,-3.0 1,-0.3 5,-0.2 0.861 100.0 63.5 -53.2 -43.4 19.4 29.4 -48.3 10 77 X A H 3> S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.888 104.6 47.3 -52.1 -40.4 20.5 32.7 -46.8 11 78 X E H <> S+ 0 0 28 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.909 109.7 51.0 -70.9 -40.3 18.3 31.9 -43.8 12 79 X V H X S+ 0 0 7 -4,-1.6 4,-2.9 1,-0.2 -2,-0.2 0.956 111.0 50.7 -58.8 -48.0 19.6 28.3 -43.4 13 80 X T H X S+ 0 0 81 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.863 111.0 47.8 -56.9 -40.2 23.1 29.8 -43.5 14 81 X A H X S+ 0 0 45 -4,-1.8 4,-2.3 -5,-0.2 5,-0.3 0.858 110.8 51.5 -70.5 -36.7 22.2 32.4 -40.7 15 82 X F H X S+ 0 0 4 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.959 111.9 46.6 -64.4 -51.2 20.6 29.7 -38.6 16 83 X R H X S+ 0 0 47 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.947 114.5 46.9 -53.9 -52.3 23.7 27.5 -38.8 17 84 X G H X S+ 0 0 39 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.906 114.8 44.3 -60.5 -46.0 26.1 30.4 -38.1 18 85 X S H X S+ 0 0 43 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.961 115.4 46.8 -64.7 -50.6 24.2 31.8 -35.1 19 86 X L H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.933 115.3 46.5 -57.0 -51.4 23.5 28.5 -33.4 20 87 X L H X S+ 0 0 10 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.879 112.9 47.3 -62.4 -42.0 27.2 27.3 -33.9 21 88 X S H X S+ 0 0 68 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.907 113.3 48.8 -70.2 -37.6 28.8 30.5 -32.7 22 89 X W H >X S+ 0 0 23 -4,-2.4 4,-2.5 -5,-0.2 3,-0.7 0.942 112.5 50.0 -60.7 -45.7 26.5 30.6 -29.6 23 90 X Y H 3X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.915 103.6 57.5 -60.4 -45.0 27.3 26.9 -29.0 24 91 X D H 3< S+ 0 0 76 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.762 119.3 32.5 -60.4 -23.0 31.1 27.4 -29.3 25 92 X Q H << S+ 0 0 142 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.701 129.1 31.2-106.2 -20.7 30.9 30.0 -26.5 26 93 X E H < S+ 0 0 97 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.597 78.4 122.6-115.4 -13.9 28.0 28.7 -24.3 27 94 X K < - 0 0 69 -4,-2.2 2,-0.2 -5,-0.3 173,-0.1 -0.093 65.7-110.8 -49.4 146.9 27.9 24.9 -24.5 28 95 X R - 0 0 49 286,-0.1 2,-0.8 1,-0.1 286,-0.2 -0.540 28.8-112.6 -78.4 149.7 28.3 23.1 -21.2 29 96 X D + 0 0 27 284,-2.6 -1,-0.1 -2,-0.2 3,-0.0 -0.746 45.0 174.6 -83.4 110.5 31.5 21.2 -20.5 30 97 X L >> - 0 0 4 -2,-0.8 4,-2.3 1,-0.1 3,-0.6 -0.947 38.4-125.9-121.4 138.5 30.5 17.5 -20.5 31 98 X P H 3> S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.821 109.6 50.9 -56.4 -33.2 32.9 14.6 -20.2 32 99 X W H 3> S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.873 109.4 50.2 -73.7 -33.1 31.6 12.8 -23.4 33 100 X R H <> S+ 0 0 19 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.903 115.3 44.3 -68.5 -38.3 31.8 16.0 -25.4 34 101 X R H X S+ 0 0 52 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.967 115.1 46.3 -67.9 -54.0 35.4 16.4 -24.3 35 102 X R H X S+ 0 0 49 -4,-3.0 4,-1.9 -5,-0.2 -2,-0.2 0.939 113.7 50.4 -52.0 -49.7 36.3 12.8 -24.7 36 103 X A H < S+ 0 0 7 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.925 111.7 45.1 -57.9 -49.5 34.7 12.7 -28.2 37 104 X E H < S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.832 117.2 47.1 -66.8 -27.7 36.4 15.8 -29.5 38 105 X D H < S+ 0 0 102 -4,-2.3 2,-0.5 -5,-0.2 -1,-0.2 0.687 88.9 94.4 -86.8 -20.0 39.8 14.6 -28.0 39 106 X E < - 0 0 48 -4,-1.9 6,-0.0 -3,-0.3 -4,-0.0 -0.635 48.0-175.4 -79.5 125.1 39.8 11.0 -29.2 40 107 X M + 0 0 145 -2,-0.5 2,-0.8 5,-0.0 -1,-0.1 0.655 63.2 84.1 -96.1 -18.4 41.6 10.5 -32.5 41 108 X D S >> S- 0 0 66 1,-0.1 4,-2.5 2,-0.0 3,-0.8 -0.782 72.6-148.7 -85.0 112.7 40.8 6.8 -33.1 42 109 X L H 3> S+ 0 0 67 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.813 93.9 54.8 -52.4 -35.9 37.3 6.8 -34.7 43 110 X D H 3> S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.879 112.2 42.5 -68.4 -36.0 36.3 3.5 -33.2 44 111 X R H <> S+ 0 0 105 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.852 114.9 51.3 -76.6 -37.6 37.1 4.7 -29.7 45 112 X R H X S+ 0 0 49 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.955 111.5 46.1 -63.9 -48.8 35.4 8.0 -30.4 46 113 X A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.870 112.4 51.0 -62.4 -38.7 32.2 6.4 -31.7 47 114 X Y H X S+ 0 0 0 -4,-1.5 4,-2.8 -5,-0.2 -1,-0.2 0.935 108.9 51.9 -63.4 -44.6 32.1 4.0 -28.8 48 115 X A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.880 113.0 44.1 -60.2 -40.0 32.5 7.0 -26.4 49 116 X V H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.912 111.6 55.1 -71.9 -41.4 29.6 8.7 -28.1 50 117 X W H X S+ 0 0 3 -4,-2.8 4,-2.1 2,-0.2 5,-0.2 0.924 107.9 47.9 -55.6 -47.3 27.6 5.5 -28.1 51 118 X V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.948 112.0 48.5 -62.2 -48.5 27.9 5.0 -24.4 52 119 X S H X S+ 0 0 2 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.915 110.8 52.6 -59.3 -42.0 26.9 8.6 -23.5 53 120 X E H X S+ 0 0 20 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.909 110.6 45.4 -60.8 -44.3 23.9 8.4 -25.9 54 121 X V H X S+ 0 0 11 -4,-2.1 4,-0.8 1,-0.2 3,-0.3 0.916 114.9 49.6 -67.0 -39.1 22.5 5.2 -24.3 55 122 X M H < S+ 0 0 0 -4,-2.5 3,-0.4 -5,-0.2 -2,-0.2 0.925 110.4 49.4 -64.1 -44.0 23.1 6.6 -20.9 56 123 X L H >< S+ 0 0 43 -4,-3.0 3,-0.7 1,-0.2 -1,-0.2 0.705 95.3 76.4 -68.7 -19.6 21.4 9.9 -21.7 57 124 X Q H 3< S+ 0 0 99 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.932 108.6 21.5 -64.4 -46.7 18.3 8.2 -23.1 58 125 X Q T 3< S+ 0 0 62 -4,-0.8 2,-0.3 -3,-0.4 -1,-0.2 0.144 122.9 53.1-107.7 25.3 16.7 7.1 -19.8 59 126 X T S < S- 0 0 28 -3,-0.7 -1,-0.1 -4,-0.2 37,-0.1 -0.987 80.5 -96.6-163.1 147.4 18.3 9.6 -17.5 60 127 X Q >> - 0 0 67 -2,-0.3 4,-2.0 1,-0.1 3,-1.4 -0.242 35.1-118.2 -65.4 145.3 19.1 13.3 -16.7 61 128 X V H 3> S+ 0 0 33 1,-0.3 4,-1.9 2,-0.2 -1,-0.1 0.848 109.1 63.0 -49.4 -46.5 22.5 14.9 -17.6 62 129 X A H 3> S+ 0 0 69 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.803 109.8 38.8 -52.9 -35.7 23.4 15.6 -14.0 63 130 X T H <> S+ 0 0 50 -3,-1.4 4,-1.3 2,-0.2 3,-0.5 0.849 106.5 62.6 -88.7 -32.7 23.5 12.0 -13.1 64 131 X V H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.872 93.7 67.0 -58.1 -32.8 25.0 10.7 -16.3 65 132 X I H X S+ 0 0 20 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.938 100.8 48.4 -50.2 -51.4 28.1 12.8 -15.4 66 133 X N H X S+ 0 0 88 -4,-0.6 4,-0.9 -3,-0.5 -1,-0.2 0.904 119.7 35.7 -55.1 -49.0 28.8 10.5 -12.4 67 134 X Y H X S+ 0 0 72 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.796 106.8 64.2 -81.0 -31.5 28.5 7.2 -14.2 68 135 X Y H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.950 103.6 47.5 -61.2 -50.3 30.0 8.1 -17.6 69 136 X T H X S+ 0 0 29 -4,-1.3 4,-1.8 -5,-0.3 -1,-0.2 0.900 113.5 46.5 -57.4 -46.1 33.4 8.7 -16.3 70 137 X G H X S+ 0 0 18 -4,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.874 111.7 52.7 -66.6 -40.4 33.6 5.6 -14.2 71 138 X W H >X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 3,-0.6 0.982 112.2 42.8 -59.2 -59.4 32.2 3.5 -17.0 72 139 X M H 3< S+ 0 0 3 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.807 110.3 60.3 -58.1 -29.0 34.9 4.7 -19.6 73 140 X Q H 3< S+ 0 0 43 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.929 114.1 34.0 -63.2 -42.6 37.5 4.4 -16.8 74 141 X K H << S+ 0 0 99 -4,-1.8 -2,-0.2 -3,-0.6 -1,-0.2 0.852 135.6 23.3 -82.6 -37.7 36.8 0.7 -16.5 75 142 X W < + 0 0 13 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 -0.626 63.8 166.4-132.8 76.4 36.0 0.0 -20.2 76 143 X P + 0 0 42 0, 0.0 2,-0.3 0, 0.0 -28,-0.1 0.593 66.5 38.5 -68.4 -13.3 37.6 2.7 -22.4 77 144 X T S > S- 0 0 11 1,-0.1 4,-2.3 -30,-0.1 5,-0.2 -0.909 83.4-110.6-135.4 163.4 37.1 0.6 -25.6 78 145 X L H > S+ 0 0 2 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.905 119.2 54.8 -51.5 -48.5 34.6 -1.7 -27.4 79 146 X Q H > S+ 0 0 91 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.952 106.8 49.4 -55.1 -51.5 37.0 -4.5 -26.9 80 147 X D H 4 S+ 0 0 64 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.911 114.0 45.1 -55.0 -45.9 37.1 -3.9 -23.1 81 148 X L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.902 105.3 63.9 -66.7 -37.4 33.3 -3.8 -22.8 82 149 X A H 3< S+ 0 0 23 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.812 107.1 42.3 -54.8 -34.0 33.0 -6.9 -25.0 83 150 X S T 3< S+ 0 0 103 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.371 88.5 108.1-101.1 11.8 34.8 -9.0 -22.5 84 151 X A S < S- 0 0 12 -3,-1.6 2,-0.1 -4,-0.3 -3,-0.0 -0.475 71.8-111.4 -79.4 156.7 33.2 -7.7 -19.3 85 152 X S > - 0 0 49 -2,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.489 20.3-114.4 -85.3 160.6 30.8 -10.0 -17.5 86 153 X L H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.877 118.2 55.5 -57.7 -38.8 27.0 -9.4 -17.2 87 154 X E H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.900 105.1 50.5 -64.2 -41.6 27.5 -9.0 -13.5 88 155 X E H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 110.2 51.1 -61.6 -43.0 30.1 -6.2 -13.9 89 156 X V H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 5,-0.2 0.931 106.8 53.0 -60.5 -48.8 27.8 -4.3 -16.2 90 157 X N H X S+ 0 0 78 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.923 109.3 49.5 -53.0 -49.1 24.9 -4.5 -13.8 91 158 X Q H < S+ 0 0 145 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.913 114.3 43.9 -56.7 -46.9 27.0 -3.0 -11.0 92 159 X L H < S+ 0 0 45 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.718 116.9 48.6 -72.1 -19.0 28.3 -0.1 -13.2 93 160 X W H >< S+ 0 0 4 -4,-1.8 3,-2.2 -3,-0.2 -2,-0.2 0.782 78.7 120.5 -89.8 -28.5 24.8 0.4 -14.5 94 161 X A T 3< S+ 0 0 60 -4,-2.3 4,-0.1 1,-0.3 -3,-0.0 -0.051 78.5 26.4 -42.1 123.9 23.0 0.4 -11.2 95 162 X G T 3 S+ 0 0 58 2,-0.2 -1,-0.3 -28,-0.0 3,-0.1 0.359 96.7 93.5 99.7 -4.5 21.3 3.8 -10.8 96 163 X L S < S- 0 0 2 -3,-2.2 2,-0.3 1,-0.3 -38,-0.1 0.361 88.9-121.8 -98.1 1.8 20.9 4.4 -14.6 97 164 X G S S+ 0 0 54 -4,-0.2 -1,-0.3 4,-0.0 -2,-0.2 -0.738 79.5 38.5 99.1-144.0 17.4 2.9 -14.9 98 165 X Y >> - 0 0 64 -2,-0.3 3,-0.9 1,-0.2 4,-0.5 -0.250 65.5-153.4 -51.1 118.6 16.3 0.0 -17.1 99 166 X Y H >> S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 3,-1.0 0.809 84.3 72.7 -66.5 -33.6 19.2 -2.4 -17.0 100 167 X S H 3> S+ 0 0 70 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.779 89.6 59.9 -57.0 -28.3 18.4 -4.0 -20.4 101 168 X R H <> S+ 0 0 6 -3,-0.9 4,-1.3 2,-0.2 -1,-0.3 0.907 109.5 45.0 -66.3 -36.5 19.7 -0.8 -22.2 102 169 X G H S+ 0 0 55 -4,-2.3 4,-2.7 1,-0.2 5,-0.8 0.908 107.7 54.2 -61.6 -40.8 28.7 -8.1 -31.6 112 179 X V H X5S+ 0 0 0 -4,-2.4 6,-2.9 1,-0.2 4,-0.5 0.843 114.2 42.0 -60.4 -33.6 31.0 -5.4 -33.1 113 180 X V H <5S+ 0 0 50 -4,-1.5 4,-0.3 4,-0.2 -2,-0.2 0.879 121.9 37.3 -81.7 -41.3 34.0 -7.4 -32.0 114 181 X E H <5S+ 0 0 147 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.720 132.0 20.6 -87.9 -23.5 32.8 -10.8 -33.0 115 182 X E H <5S+ 0 0 131 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.589 125.9 43.2-118.8 -15.1 30.9 -10.1 -36.2 116 183 X L S >< S- 0 0 55 1,-0.1 4,-3.1 26,-0.0 5,-0.2 -0.927 78.3-120.7-129.2 155.9 27.1 5.6 -41.5 124 191 X A H > S+ 0 0 12 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.904 113.7 45.5 -57.1 -44.8 23.9 6.3 -39.8 125 192 X E H > S+ 0 0 127 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.951 115.3 46.5 -68.0 -46.2 21.9 3.7 -41.8 126 193 X T H > S+ 0 0 38 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.885 111.7 52.2 -57.9 -41.1 24.6 1.1 -41.4 127 194 X L H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.830 111.5 47.6 -66.4 -32.7 24.8 1.9 -37.7 128 195 X Q H < S+ 0 0 94 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.853 112.1 49.7 -76.0 -36.7 21.0 1.4 -37.4 129 196 X Q H < S+ 0 0 121 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.799 120.2 32.5 -70.2 -30.8 21.1 -1.8 -39.3 130 197 X L H < S+ 0 0 60 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.826 99.1 72.5-104.3 -33.2 23.8 -3.4 -37.3 131 198 X L S >< S- 0 0 5 -4,-1.6 3,-1.6 -5,-0.2 -23,-0.1 -0.752 79.6-119.9 -93.4 125.8 23.8 -2.4 -33.7 132 199 X P T 3 S+ 0 0 34 0, 0.0 -24,-0.1 0, 0.0 3,-0.1 -0.329 94.5 8.5 -63.0 137.6 21.1 -3.8 -31.4 133 200 X G T 3 S+ 0 0 51 1,-0.2 2,-1.0 -5,-0.1 5,-0.1 0.380 91.9 128.5 76.8 -6.0 18.9 -1.1 -29.8 134 201 X V < - 0 0 8 -3,-1.6 -1,-0.2 -7,-0.2 -3,-0.1 -0.733 38.5-176.8 -88.1 102.8 20.4 1.7 -31.9 135 202 X G > - 0 0 32 -2,-1.0 4,-2.3 -3,-0.1 5,-0.3 0.027 45.4 -74.6 -85.2-166.4 17.5 3.6 -33.5 136 203 X R H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.894 129.0 47.0 -60.9 -40.5 17.4 6.5 -35.9 137 204 X Y H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.964 114.1 42.8 -65.5 -58.7 18.4 9.0 -33.3 138 205 X T H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.899 114.2 52.7 -56.6 -42.0 21.4 7.2 -31.7 139 206 X A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.942 112.0 46.3 -59.2 -46.0 22.7 6.2 -35.1 140 207 X G H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.3 5,-0.3 0.840 110.6 52.4 -66.1 -35.1 22.5 9.8 -36.3 141 208 X A H X S+ 0 0 3 -4,-2.4 4,-1.9 2,-0.2 5,-0.4 0.924 113.8 43.0 -68.6 -43.8 24.2 11.1 -33.1 142 209 X I H X>S+ 0 0 0 -4,-2.5 4,-2.4 3,-0.2 5,-0.9 0.941 116.5 46.8 -66.8 -45.1 27.1 8.7 -33.5 143 210 X A H X5S+ 0 0 0 -4,-2.7 6,-2.2 -5,-0.2 4,-0.8 0.888 118.7 39.2 -66.0 -42.9 27.5 9.2 -37.2 144 211 X S H <5S+ 0 0 1 -4,-2.3 51,-0.7 4,-0.2 4,-0.3 0.844 125.0 38.4 -76.5 -35.8 27.4 13.0 -37.1 145 212 X I H <5S+ 0 0 26 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.962 127.9 28.8 -79.4 -57.8 29.4 13.3 -33.9 146 213 X A H <5S+ 0 0 1 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.883 134.9 26.1 -71.8 -41.2 32.0 10.6 -34.4 147 214 X F S < - 0 0 43 -2,-0.5 4,-2.4 -18,-0.1 5,-0.2 -0.540 65.5 -75.4-114.6-171.8 15.1 14.3 -30.0 156 223 X G H > S+ 0 0 53 1,-0.2 4,-2.1 -2,-0.2 5,-0.2 0.891 130.7 50.5 -53.7 -44.2 12.7 16.0 -27.6 157 224 X N H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 111.7 44.4 -62.9 -47.0 14.9 19.1 -27.3 158 225 X V H > S+ 0 0 6 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.875 112.2 54.9 -64.7 -37.0 15.4 19.7 -31.0 159 226 X A H X S+ 0 0 18 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.893 106.4 49.9 -65.5 -42.3 11.7 19.1 -31.6 160 227 X R H X S+ 0 0 50 -4,-2.1 4,-1.4 -5,-0.2 -1,-0.2 0.971 114.4 46.4 -61.2 -49.4 10.7 21.8 -29.1 161 228 X V H X S+ 0 0 5 -4,-2.2 4,-3.2 1,-0.2 3,-0.4 0.941 114.5 44.8 -57.4 -52.4 13.1 24.2 -30.8 162 229 X L H X S+ 0 0 7 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.860 109.4 56.6 -63.4 -36.0 12.0 23.4 -34.4 163 230 X C H <>S+ 0 0 23 -4,-2.4 5,-2.5 -5,-0.2 -1,-0.2 0.836 115.1 38.6 -64.1 -31.6 8.3 23.5 -33.4 164 231 X R H ><5S+ 0 0 73 -4,-1.4 63,-2.0 -3,-0.4 3,-1.5 0.933 113.2 54.1 -83.1 -48.4 8.8 27.0 -32.2 165 232 X V H 3<5S+ 0 0 3 -4,-3.2 61,-2.2 1,-0.3 -2,-0.2 0.799 125.4 25.4 -54.0 -34.1 11.2 28.2 -34.9 166 233 X R T 3<5S- 0 0 1 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.102 108.5-120.7-118.2 17.8 8.7 27.2 -37.6 167 234 X A T < 5 + 0 0 25 -3,-1.5 2,-0.6 1,-0.2 -3,-0.2 0.904 43.6 174.1 38.9 72.6 5.6 27.5 -35.5 168 235 X I < + 0 0 26 -5,-2.5 -1,-0.2 1,-0.1 -2,-0.1 -0.925 10.6 168.7-107.7 113.1 4.3 23.9 -35.8 169 236 X G + 0 0 83 -2,-0.6 -1,-0.1 2,-0.1 -2,-0.1 0.545 38.1 111.5-103.6 -6.4 1.3 23.4 -33.6 170 237 X A S S- 0 0 57 1,-0.2 4,-0.1 2,-0.1 -2,-0.1 -0.309 91.1 -73.6 -66.6 151.8 0.1 20.0 -34.8 171 238 X D > - 0 0 99 1,-0.2 3,-2.2 2,-0.1 6,-0.3 -0.258 43.6-148.8 -48.5 111.3 0.4 17.0 -32.4 172 239 X P T 3 S+ 0 0 75 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 0.761 95.2 61.8 -58.1 -29.0 4.2 16.3 -32.5 173 240 X S T 3 S+ 0 0 92 4,-0.1 -2,-0.1 5,-0.1 -3,-0.0 0.543 83.5 112.0 -75.3 -5.8 3.7 12.5 -31.9 174 241 X S S <> S- 0 0 40 -3,-2.2 4,-1.8 1,-0.1 5,-0.2 -0.322 76.4-129.6 -62.4 151.4 1.9 12.6 -35.2 175 242 X T H > S+ 0 0 105 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.891 107.4 50.9 -71.8 -40.9 3.6 10.8 -38.0 176 243 X L H > S+ 0 0 119 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.918 112.1 47.9 -62.7 -43.4 3.3 13.8 -40.4 177 244 X V H > S+ 0 0 7 -6,-0.3 4,-2.6 2,-0.2 5,-0.2 0.911 110.4 49.5 -65.7 -43.3 4.8 16.1 -37.9 178 245 X S H X S+ 0 0 38 -4,-1.8 4,-2.6 1,-0.2 5,-0.2 0.955 112.1 49.5 -59.9 -48.4 7.8 13.8 -36.9 179 246 X Q H X S+ 0 0 101 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.868 110.5 50.3 -61.5 -35.0 8.5 13.4 -40.6 180 247 X Q H X S+ 0 0 74 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.878 110.6 48.8 -67.5 -40.0 8.4 17.1 -41.0 181 248 X L H X S+ 0 0 5 -4,-2.6 4,-3.0 2,-0.2 -2,-0.2 0.917 110.9 50.0 -67.3 -41.3 10.8 17.8 -38.1 182 249 X W H X S+ 0 0 35 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.874 109.8 52.2 -63.6 -35.4 13.2 15.2 -39.4 183 250 X G H X S+ 0 0 43 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.928 110.9 47.0 -64.3 -46.6 13.0 16.9 -42.7 184 251 X L H X S+ 0 0 2 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.913 112.0 50.1 -59.9 -46.1 13.8 20.3 -41.2 185 252 X A H X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.901 110.1 50.8 -61.3 -39.9 16.7 18.8 -39.2 186 253 X Q H < S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 113.4 45.1 -68.4 -33.0 18.1 17.2 -42.3 187 254 X Q H < S+ 0 0 79 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.844 116.4 45.8 -77.9 -34.3 17.9 20.5 -44.2 188 255 X L H < S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.832 81.2 113.7 -78.2 -32.0 19.4 22.5 -41.3 189 256 X V S < S- 0 0 5 -4,-2.3 -37,-0.1 -5,-0.2 6,-0.1 -0.107 74.2-116.1 -51.5 130.1 22.3 20.3 -40.3 190 257 X D - 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0 0 67 -2,-0.3 4,-1.5 1,-0.1 3,-1.4 -0.371 35.6-118.3 -70.3 142.6 43.4 22.2 7.2 334 128 Y V H >> S+ 0 0 43 1,-0.3 4,-1.7 2,-0.2 3,-0.6 0.888 109.1 62.8 -43.9 -52.0 40.5 20.6 5.3 335 129 Y A H 3> S+ 0 0 78 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.838 108.8 40.2 -48.3 -37.7 38.3 20.3 8.3 336 130 Y T H <> S+ 0 0 51 -3,-1.4 4,-1.1 1,-0.2 -1,-0.2 0.772 107.6 61.0 -87.7 -24.1 38.1 24.0 8.8 337 131 Y V H S- 0 0 11 1,-0.1 4,-2.1 -30,-0.1 5,-0.2 -0.866 84.3-109.0-132.5 165.3 30.9 33.8 -9.6 351 145 Y L H > S+ 0 0 2 -2,-0.3 4,-3.8 1,-0.2 5,-0.2 0.936 118.9 57.8 -52.6 -52.0 34.0 35.9 -10.4 352 146 Y Q H > S+ 0 0 90 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.903 106.0 47.5 -47.4 -47.8 31.7 38.8 -11.2 353 147 Y D H 4 S+ 0 0 63 1,-0.2 3,-0.4 2,-0.2 -1,-0.2 0.952 115.5 44.9 -64.9 -46.1 30.1 38.7 -7.6 354 148 Y L H >< S+ 0 0 0 -4,-2.1 3,-2.2 1,-0.2 -2,-0.2 0.934 106.4 61.3 -61.5 -44.6 33.5 38.5 -6.0 355 149 Y A H 3< S+ 0 0 22 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.847 109.9 42.0 -50.3 -37.1 34.9 41.3 -8.3 356 150 Y S T 3< S+ 0 0 101 -4,-1.5 -1,-0.3 -3,-0.4 2,-0.2 0.222 88.7 108.4-101.6 18.9 32.3 43.7 -6.9 357 151 Y A S < S- 0 0 11 -3,-2.2 2,-0.2 1,-0.1 -3,-0.0 -0.561 72.8-113.4 -83.8 157.3 32.5 42.7 -3.3 358 152 Y S > - 0 0 47 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.526 20.6-114.7 -86.5 161.1 34.2 45.3 -1.0 359 153 Y L H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.897 117.9 56.4 -57.3 -40.6 37.5 44.7 0.7 360 154 Y E H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.956 105.3 48.8 -58.6 -53.1 35.6 44.8 4.0 361 155 Y E H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.908 108.8 54.2 -54.7 -44.4 33.2 42.1 3.0 362 156 Y V H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.879 106.4 51.9 -59.2 -37.7 36.1 39.9 1.9 363 157 Y N H X S+ 0 0 74 -4,-2.0 4,-2.0 -3,-0.4 -1,-0.2 0.866 107.6 52.8 -67.2 -34.5 37.8 40.2 5.3 364 158 Y Q H < S+ 0 0 145 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 113.8 40.9 -69.8 -37.0 34.6 39.2 7.1 365 159 Y L H < S+ 0 0 54 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.697 118.9 48.5 -82.9 -17.8 34.2 36.0 5.1 366 160 Y W H >< S+ 0 0 5 -4,-1.3 3,-2.9 -5,-0.3 4,-0.4 0.727 78.8 118.5 -91.8 -23.0 38.0 35.4 5.3 367 161 Y A T 3< S+ 0 0 63 -4,-2.0 -3,-0.0 1,-0.3 -4,-0.0 -0.218 78.8 26.8 -50.1 117.2 38.4 36.0 9.0 368 162 Y G T 3 S+ 0 0 57 -2,-0.0 -1,-0.3 -28,-0.0 -2,-0.1 0.089 93.2 93.1 114.3 -22.4 39.7 32.7 10.5 369 163 Y L S < S- 0 0 4 -3,-2.9 2,-0.2 1,-0.1 -2,-0.1 0.766 90.1-127.7 -73.4 -24.2 41.4 31.4 7.4 370 164 Y G S S+ 0 0 69 -4,-0.4 2,-0.6 -38,-0.0 3,-0.1 -0.294 80.3 57.0 120.2 -56.9 44.6 32.9 8.6 371 165 Y Y >> - 0 0 40 -2,-0.2 3,-2.0 1,-0.1 4,-0.7 -0.777 58.1-163.6-119.8 86.8 46.5 35.2 6.1 372 166 Y Y H >> S+ 0 0 56 -2,-0.6 4,-2.1 1,-0.3 3,-0.5 0.714 82.3 70.6 -39.6 -30.4 44.2 38.0 5.0 373 167 Y S H 3> S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.884 91.7 53.7 -63.8 -40.3 46.5 38.8 2.1 374 168 Y R H <> S+ 0 0 13 -3,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.817 110.7 50.9 -62.5 -25.9 45.7 35.6 0.1 375 169 Y G H S+ 0 0 54 -4,-2.5 4,-2.4 1,-0.2 5,-0.8 0.919 108.8 48.4 -57.8 -46.1 41.4 41.4 -13.0 385 179 Y V H X5S+ 0 0 0 -4,-2.2 6,-3.2 3,-0.2 4,-0.5 0.870 117.9 42.4 -62.2 -36.6 39.7 38.4 -14.9 386 180 Y V H <5S+ 0 0 41 -4,-1.9 4,-0.4 4,-0.2 -2,-0.2 0.932 124.6 32.3 -75.2 -47.5 36.4 40.4 -15.0 387 181 Y E H <5S+ 0 0 149 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.714 132.3 27.4 -85.2 -22.9 37.7 43.8 -15.9 388 182 Y E H <5S+ 0 0 135 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.1 0.728 128.5 34.8-112.6 -22.5 40.7 43.0 -18.0 389 183 Y L S >< S- 0 0 56 1,-0.1 4,-3.3 26,-0.0 5,-0.3 -0.909 78.5-118.9-127.3 156.0 46.1 27.0 -19.4 397 191 Y A H > S+ 0 0 12 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 0.934 115.5 47.8 -49.6 -55.0 48.4 26.4 -16.5 398 192 Y E H > S+ 0 0 142 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.896 114.9 46.1 -59.9 -39.2 51.1 28.6 -17.9 399 193 Y T H > S+ 0 0 33 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.920 110.8 51.7 -67.5 -44.6 48.6 31.4 -18.7 400 194 Y L H X S+ 0 0 0 -4,-3.3 4,-1.1 1,-0.2 -1,-0.2 0.787 114.4 45.2 -63.2 -27.6 46.9 31.1 -15.3 401 195 Y Q H < S+ 0 0 90 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.807 113.1 49.4 -84.7 -33.4 50.3 31.5 -13.7 402 196 Y Q H < S+ 0 0 140 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.856 122.6 28.5 -73.2 -36.1 51.4 34.3 -15.9 403 197 Y L H < S+ 0 0 49 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.1 0.787 101.1 76.9-101.0 -31.3 48.3 36.5 -15.4 404 198 Y L S >< S- 0 0 6 -4,-1.1 3,-1.5 -5,-0.3 2,-0.1 -0.752 78.1-122.9 -93.6 124.7 46.7 35.8 -12.0 405 199 Y P T 3 S+ 0 0 38 0, 0.0 -24,-0.1 0, 0.0 3,-0.1 -0.354 92.2 8.9 -67.4 136.6 48.4 37.4 -8.9 406 200 Y G T 3 S+ 0 0 43 1,-0.2 2,-1.0 -5,-0.1 5,-0.1 0.580 91.2 129.0 70.3 7.7 49.4 34.9 -6.2 407 201 Y V < - 0 0 8 -3,-1.5 -1,-0.2 -6,-0.2 -3,-0.1 -0.800 39.5-174.0 -96.1 98.2 48.7 31.9 -8.4 408 202 Y G > - 0 0 35 -2,-1.0 4,-2.4 -3,-0.1 5,-0.3 0.033 44.1 -78.8 -78.7-169.9 51.9 29.8 -8.3 409 203 Y R H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.917 128.8 49.4 -58.5 -42.8 52.8 26.6 -10.2 410 204 Y Y H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.974 112.3 42.9 -62.8 -57.7 50.6 24.5 -8.0 411 205 Y T H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.927 113.8 52.7 -58.6 -43.5 47.4 26.5 -8.0 412 206 Y A H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.944 112.7 45.5 -56.0 -47.1 47.6 27.1 -11.7 413 207 Y G H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.3 5,-0.4 0.833 110.3 52.6 -66.6 -34.4 48.0 23.4 -12.3 414 208 Y A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.4 0.941 115.0 43.2 -66.5 -43.1 45.2 22.5 -9.9 415 209 Y I H X>S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 5,-0.9 0.921 114.5 47.8 -66.8 -46.8 42.9 24.8 -11.8 416 210 Y A H X5S+ 0 0 0 -4,-2.7 6,-2.4 -5,-0.3 4,-0.8 0.887 121.4 35.7 -64.0 -42.3 44.0 23.9 -15.3 417 211 Y S H X5S+ 0 0 2 -4,-1.9 4,-1.1 4,-0.2 51,-0.7 0.955 123.8 40.4 -78.7 -51.7 43.7 20.1 -14.7 418 212 Y I H <5S+ 0 0 22 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.925 130.8 26.4 -62.7 -48.0 40.7 20.1 -12.3 419 213 Y A H <5S+ 0 0 0 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.891 133.4 27.1 -85.1 -44.2 38.7 22.7 -14.2 420 214 Y F H < - 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