==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-FEB-05 1WYW . COMPND 2 MOLECULE: G/T MISMATCH-SPECIFIC THYMINE DNA GLYCOSYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.BABA,N.MAITA,J.G.JEE,Y.UCHIMURA,H.SAITOH,K.SUGASAWA, . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 66.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 1 1 1 0 0 0 2 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 2 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 2 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 1 117 A A 0 0 108 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 154.5 -15.3 40.8 26.5 2 118 A E >> - 0 0 158 1,-0.1 3,-2.3 2,-0.0 4,-0.6 -0.537 360.0-113.0 -76.7 141.4 -11.8 40.1 25.3 3 119 A L G >4 S+ 0 0 56 1,-0.3 3,-1.3 -2,-0.2 77,-0.1 0.804 110.9 58.0 -42.6 -47.0 -9.3 42.7 26.4 4 120 A L G 34 S+ 0 0 99 1,-0.3 76,-0.3 75,-0.1 -1,-0.3 0.612 104.4 53.5 -67.5 -8.7 -8.5 44.2 23.0 5 121 A T G <4 S+ 0 0 95 -3,-2.3 -1,-0.3 74,-0.1 -2,-0.2 0.610 88.8 100.4 -97.6 -14.0 -12.1 45.1 22.4 6 122 A K << - 0 0 63 -3,-1.3 74,-0.8 -4,-0.6 2,-0.3 -0.314 54.3-161.6 -70.9 152.5 -12.6 47.0 25.7 7 123 A T - 0 0 75 23,-0.2 72,-0.1 72,-0.1 71,-0.1 -0.837 17.4-121.3-127.9 168.3 -12.5 50.8 25.8 8 124 A L - 0 0 21 70,-0.4 67,-0.1 -2,-0.3 22,-0.1 -0.948 23.1-127.8-118.0 114.8 -11.9 53.2 28.7 9 125 A P - 0 0 94 0, 0.0 26,-0.1 0, 0.0 64,-0.0 -0.355 30.1-130.3 -57.9 128.6 -14.6 55.8 29.5 10 126 A D - 0 0 54 -2,-0.1 2,-0.5 1,-0.1 64,-0.2 -0.281 6.9-131.6 -77.0 171.1 -13.0 59.2 29.6 11 127 A I B +A 73 0A 28 62,-2.5 62,-2.2 2,-0.0 2,-0.3 -0.870 45.9 146.6-126.6 94.4 -13.6 61.5 32.5 12 128 A L + 0 0 20 -2,-0.5 2,-0.3 60,-0.2 7,-0.0 -0.960 11.8 154.2-133.6 149.7 -14.4 65.0 31.2 13 129 A T - 0 0 57 -2,-0.3 3,-0.5 53,-0.0 2,-0.1 -0.886 46.5 -81.4-155.5 178.5 -16.6 67.9 32.2 14 130 A F S S+ 0 0 116 -2,-0.3 93,-0.1 1,-0.2 92,-0.1 -0.451 104.8 33.0 -86.5 165.9 -16.7 71.6 31.6 15 131 A N S S+ 0 0 151 91,-0.7 2,-0.2 92,-0.2 -1,-0.2 0.724 78.5 154.8 62.5 26.4 -14.5 74.1 33.6 16 132 A L - 0 0 2 -3,-0.5 93,-2.1 90,-0.4 -1,-0.2 -0.570 37.2-157.2 -83.0 148.6 -11.6 71.7 34.0 17 133 A D S S+ 0 0 9 53,-2.0 93,-1.4 1,-0.3 2,-0.4 0.785 78.0 25.7 -90.9 -31.5 -8.1 73.1 34.5 18 134 A I E -bc 71 110A 1 52,-2.4 54,-2.6 91,-0.2 2,-0.5 -0.994 53.3-171.9-140.3 139.1 -6.3 70.0 33.3 19 135 A V E -bc 72 111A 0 91,-2.0 93,-2.9 -2,-0.4 2,-0.5 -0.983 21.7-143.5-129.0 116.6 -7.0 67.0 31.0 20 136 A I E -bc 73 112A 6 52,-2.7 54,-1.9 -2,-0.5 2,-0.5 -0.712 20.2-165.1 -81.9 122.8 -4.4 64.3 31.0 21 137 A I E +bc 74 113A 0 91,-3.5 93,-3.1 -2,-0.5 54,-0.2 -0.947 11.6 173.1-118.4 122.1 -4.0 62.9 27.4 22 138 A G E -b 75 0A 4 52,-1.3 54,-2.6 -2,-0.5 55,-0.2 -0.460 44.9-101.0-110.0-174.6 -2.3 59.6 26.6 23 139 A I S S- 0 0 21 1,-0.3 54,-2.8 52,-0.2 -1,-0.1 0.963 88.2 -42.1 -73.2 -53.5 -2.0 57.7 23.3 24 140 A N S S- 0 0 15 52,-0.2 -1,-0.3 51,-0.1 54,-0.2 -0.934 83.4 -53.7-163.4 174.4 -4.7 55.1 24.0 25 141 A P - 0 0 5 0, 0.0 56,-0.8 0, 0.0 10,-0.1 -0.415 53.9-129.3 -64.3 131.7 -5.9 53.0 26.9 26 142 A G > - 0 0 38 -2,-0.2 4,-2.8 54,-0.1 5,-0.3 -0.330 26.2-106.2 -73.4 164.4 -3.2 50.8 28.5 27 143 A L H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.918 119.7 41.8 -59.8 -46.7 -3.9 47.1 29.0 28 144 A M H > S+ 0 0 75 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.890 114.3 52.4 -69.6 -38.1 -4.4 47.3 32.8 29 145 A A H >>S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-1.2 0.956 113.0 43.8 -61.4 -49.2 -6.4 50.5 32.5 30 146 A A H <5S+ 0 0 5 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.892 114.6 51.2 -62.4 -39.8 -8.8 49.0 29.9 31 147 A Y H <5S+ 0 0 159 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.942 119.8 32.9 -63.6 -49.7 -9.0 45.8 32.0 32 148 A K H <5S- 0 0 99 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.696 102.7-126.3 -82.3 -21.2 -9.8 47.5 35.3 33 149 A G T <5S+ 0 0 35 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.825 73.6 103.1 78.8 31.8 -11.8 50.4 33.8 34 150 A H S + 0 0 23 114,-3.1 4,-2.8 -2,-0.3 5,-0.3 0.340 64.2 103.4-102.0 4.3 3.8 56.7 38.0 43 159 A F H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.947 82.7 42.4 -53.8 -58.8 0.8 59.0 37.5 44 160 A W H > S+ 0 0 14 -8,-0.4 4,-1.5 2,-0.2 13,-0.4 0.875 116.0 49.3 -59.9 -38.4 -0.9 58.6 40.8 45 161 A K H > S+ 0 0 94 -4,-0.2 4,-3.1 1,-0.2 3,-0.4 0.957 114.0 45.5 -65.0 -49.4 2.4 58.8 42.7 46 162 A C H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 6,-0.4 0.848 106.1 61.3 -60.8 -35.7 3.5 61.9 40.8 47 163 A L H <>S+ 0 0 1 -4,-2.6 6,-1.6 -5,-0.3 5,-1.3 0.903 114.6 34.1 -59.4 -40.5 0.1 63.5 41.3 48 164 A F H ><5S+ 0 0 62 -4,-1.5 3,-1.5 -3,-0.4 -2,-0.2 0.910 114.8 55.8 -80.8 -43.9 0.6 63.3 45.1 49 165 A M H 3<5S+ 0 0 5 -4,-3.1 -2,-0.2 1,-0.3 206,-0.2 0.780 109.9 47.7 -59.6 -27.9 4.4 64.0 45.1 50 166 A S T 3<5S- 0 0 9 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.497 116.0-115.0 -89.7 -7.8 3.8 67.2 43.1 51 167 A G T < 5S+ 0 0 26 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.567 80.6 125.9 85.0 7.6 1.0 68.3 45.4 52 168 A L S - 0 0 64 -2,-0.2 3,-2.5 -21,-0.0 4,-0.2 -0.821 41.8 -79.2-137.6 177.1 -5.0 55.4 43.3 59 175 A H G > S+ 0 0 27 1,-0.3 3,-1.3 -2,-0.3 -24,-0.4 0.730 121.7 66.2 -52.9 -26.8 -6.8 54.6 40.0 60 176 A M G 3 S+ 0 0 104 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.580 97.6 56.1 -74.8 -5.6 -10.0 53.9 41.8 61 177 A D G X> S+ 0 0 41 -3,-2.5 3,-2.2 1,-0.1 4,-0.6 0.377 72.3 106.5-102.0 -0.4 -10.2 57.5 42.8 62 178 A D G X4 S+ 0 0 6 -3,-1.3 3,-1.3 1,-0.3 -1,-0.1 0.835 71.8 62.4 -49.5 -36.7 -10.0 58.8 39.2 63 179 A H G 34 S+ 0 0 120 1,-0.3 4,-0.4 -3,-0.2 -1,-0.3 0.727 98.0 57.6 -63.0 -22.9 -13.7 59.7 39.2 64 180 A T G <> S+ 0 0 46 -3,-2.2 4,-2.5 1,-0.2 5,-0.5 0.647 84.6 84.0 -83.7 -14.8 -13.1 62.3 42.0 65 181 A L H S+ 0 0 0 -3,-1.3 4,-1.9 -4,-0.6 6,-1.8 0.862 85.1 51.6 -60.0 -40.9 -10.5 64.3 40.1 66 182 A P H >5S+ 0 0 19 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.983 117.5 38.2 -60.7 -52.7 -12.9 66.5 38.1 67 183 A G H 45S+ 0 0 79 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.881 129.3 27.7 -65.2 -44.0 -14.8 67.7 41.1 68 184 A K H <5S+ 0 0 118 -4,-2.5 -3,-0.2 3,-0.1 -1,-0.2 0.751 136.9 21.2 -93.6 -25.1 -12.1 68.0 43.7 69 185 A Y H <5S- 0 0 25 -4,-1.9 -2,-0.2 -5,-0.5 -4,-0.1 0.500 91.8-120.6-122.9 -4.1 -9.0 68.7 41.5 70 186 A G S < + 0 0 55 1,-0.1 3,-1.6 2,-0.1 0, 0.0 0.782 69.0 148.4 67.1 24.9 2.5 49.0 20.5 84 200 A S G > + 0 0 11 -3,-0.4 3,-0.9 1,-0.3 -1,-0.1 0.532 54.0 76.9 -70.0 -7.3 0.3 52.1 20.3 85 201 A K G 3 S+ 0 0 105 1,-0.2 -1,-0.3 36,-0.0 -2,-0.1 0.721 101.5 42.3 -74.4 -17.5 3.3 54.3 19.6 86 202 A D G < S+ 0 0 148 -3,-1.6 -1,-0.2 2,-0.0 -2,-0.1 -0.132 80.6 140.9-121.3 38.4 3.2 52.9 16.1 87 203 A L < - 0 0 22 -3,-0.9 -3,-0.0 1,-0.2 -4,-0.0 -0.228 64.4 -74.1 -70.5 170.4 -0.5 52.9 15.2 88 204 A S > - 0 0 63 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.301 34.8-123.5 -67.5 151.0 -1.5 53.8 11.6 89 205 A S H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.865 113.1 53.5 -59.8 -38.2 -1.4 57.5 10.6 90 206 A K H > S+ 0 0 153 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.859 107.9 47.9 -67.0 -39.0 -5.0 57.2 9.6 91 207 A E H > S+ 0 0 50 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.931 114.7 46.3 -69.6 -43.4 -6.1 55.9 13.0 92 208 A F H X S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.927 112.4 51.1 -61.3 -45.9 -4.1 58.6 14.9 93 209 A R H X S+ 0 0 114 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.882 112.6 44.7 -60.6 -41.9 -5.5 61.3 12.5 94 210 A E H X S+ 0 0 81 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.889 113.1 50.8 -70.8 -40.2 -9.1 60.2 13.1 95 211 A G H X S+ 0 0 10 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.905 108.0 54.8 -62.9 -38.0 -8.5 59.9 16.8 96 212 A G H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.891 105.1 51.9 -61.8 -41.1 -7.0 63.4 16.7 97 213 A R H X S+ 0 0 132 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.938 112.3 45.7 -60.9 -47.6 -10.1 64.8 15.1 98 214 A I H X S+ 0 0 55 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.912 112.8 51.0 -62.9 -42.6 -12.3 63.3 17.8 99 215 A L H X S+ 0 0 3 -4,-2.8 4,-2.4 -23,-0.3 -2,-0.2 0.936 110.3 47.7 -61.3 -48.0 -10.0 64.5 20.5 100 216 A V H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.867 108.7 56.7 -61.6 -35.3 -9.9 68.1 19.3 101 217 A Q H X S+ 0 0 111 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.937 109.1 45.2 -61.8 -46.0 -13.7 68.0 19.0 102 218 A K H X S+ 0 0 52 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.893 112.9 50.5 -64.8 -40.4 -14.0 67.0 22.7 103 219 A L H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.878 108.2 51.9 -67.1 -36.6 -11.5 69.7 23.8 104 220 A Q H < S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.739 114.2 46.7 -70.6 -21.8 -13.3 72.4 21.8 105 221 A K H < S+ 0 0 121 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.939 122.1 30.2 -83.1 -54.4 -16.5 71.3 23.6 106 222 A Y H < S- 0 0 47 -4,-2.9 -91,-0.7 -5,-0.1 -90,-0.4 0.719 87.7-154.5 -79.9 -22.4 -15.2 71.1 27.2 107 223 A Q < - 0 0 134 -4,-2.3 -92,-0.2 -5,-0.3 2,-0.1 0.921 13.7-169.1 48.2 61.3 -12.6 73.8 26.9 108 224 A P - 0 0 1 0, 0.0 -91,-0.2 0, 0.0 3,-0.1 -0.494 28.2-122.6 -76.1 152.6 -10.2 72.7 29.7 109 225 A R S S+ 0 0 114 -93,-2.1 40,-2.5 1,-0.2 2,-0.4 0.891 93.4 24.3 -62.9 -39.8 -7.5 75.3 30.5 110 226 A I E -cd 18 149A 0 -93,-1.4 -91,-2.0 38,-0.2 2,-0.8 -0.978 61.3-152.7-136.9 126.6 -4.6 72.9 29.8 111 227 A A E -cd 19 150A 0 38,-3.4 40,-2.8 -2,-0.4 2,-0.7 -0.855 24.6-156.6 -92.5 113.4 -4.3 69.8 27.6 112 228 A V E -cd 20 151A 0 -93,-2.9 -91,-3.5 -2,-0.8 2,-0.6 -0.850 1.8-150.1-100.1 110.5 -1.6 67.8 29.3 113 229 A F E -cd 21 152A 0 38,-3.2 40,-2.4 -2,-0.7 2,-1.8 -0.687 10.8-138.6 -83.7 120.0 0.2 65.4 27.0 114 230 A N E S- d 0 153A 14 -93,-3.1 4,-0.3 -2,-0.6 -91,-0.2 -0.576 76.1 -9.0 -78.6 82.2 1.4 62.3 28.8 115 231 A G S > S- 0 0 4 -2,-1.8 4,-1.5 38,-1.6 3,-0.2 0.047 76.2 -96.2 106.5 145.8 4.8 62.0 27.1 116 232 A K H > S+ 0 0 59 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.817 116.7 66.5 -62.3 -32.8 6.6 63.6 24.1 117 233 A C H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 102.6 42.8 -56.0 -51.8 5.5 60.7 22.0 118 234 A I H > S+ 0 0 1 -4,-0.3 4,-2.8 -3,-0.2 -1,-0.2 0.882 114.2 50.7 -66.8 -36.9 1.9 61.5 22.1 119 235 A Y H X S+ 0 0 2 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.901 109.2 52.1 -67.5 -36.2 2.4 65.2 21.6 120 236 A E H X S+ 0 0 91 -4,-2.7 4,-2.0 2,-0.2 11,-0.3 0.910 112.4 45.5 -63.1 -41.5 4.6 64.5 18.6 121 237 A I H X S+ 0 0 22 -4,-2.1 4,-2.9 -5,-0.2 5,-0.3 0.936 112.8 50.7 -65.4 -47.4 1.8 62.3 17.1 122 238 A F H X>S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.9 0.905 110.7 48.2 -56.9 -46.8 -0.8 65.0 17.9 123 239 A S H X>S+ 0 0 4 -4,-2.8 6,-2.1 3,-0.2 5,-1.3 0.912 114.6 46.7 -62.7 -42.3 1.3 67.7 16.3 124 240 A K H <5S+ 0 0 120 -4,-2.0 -2,-0.2 4,-0.3 -1,-0.2 0.934 121.8 33.1 -66.1 -48.7 1.8 65.6 13.2 125 241 A E H <5S+ 0 0 25 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.686 132.2 29.1 -85.0 -19.6 -1.8 64.4 12.7 126 242 A V H <5S+ 0 0 42 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.1 0.834 132.2 28.5-104.4 -52.8 -3.6 67.5 14.0 127 243 A F T < S- 0 0 1 5,-2.2 3,-1.5 -2,-0.2 5,-0.3 -0.457 76.4 -73.9 -61.7 134.5 -5.6 73.3 20.7 144 260 A P T 3 S- 0 0 34 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.028 111.4 -7.7 -37.2 121.8 -7.2 74.3 17.4 145 261 A D T 3 S+ 0 0 160 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.789 117.7 88.9 57.8 36.2 -9.5 77.2 17.7 146 262 A T S < S- 0 0 17 -3,-1.5 -1,-0.2 2,-0.2 -4,-0.1 -0.885 81.6-117.5-146.1 177.1 -9.5 77.4 21.5 147 263 A E + 0 0 154 -2,-0.3 2,-0.4 -3,-0.1 -2,-0.0 0.227 69.4 129.6-102.3 10.0 -7.6 79.0 24.4 148 264 A T - 0 0 3 -5,-0.3 -5,-2.2 -38,-0.1 -38,-0.2 -0.528 52.2-139.2 -71.8 124.7 -6.6 75.5 25.6 149 265 A L E -d 110 0A 30 -40,-2.5 -38,-3.4 -2,-0.4 2,-0.5 -0.351 6.1-131.0 -79.7 162.1 -2.8 75.3 26.3 150 266 A C E -d 111 0A 0 -11,-0.4 -11,-2.4 -9,-0.4 2,-0.4 -0.976 25.1-178.4-117.8 122.6 -0.7 72.4 25.4 151 267 A Y E -dE 112 138A 8 -40,-2.8 -38,-3.2 -2,-0.5 2,-0.5 -0.988 11.2-153.6-124.3 131.9 1.7 71.1 28.1 152 268 A V E +dE 113 137A 0 -15,-2.9 -15,-3.7 -2,-0.4 -38,-0.2 -0.908 16.0 174.7-111.6 127.0 4.1 68.2 27.7 153 269 A M E -d 114 0A 1 -40,-2.4 -38,-1.6 -2,-0.5 3,-0.1 -0.800 41.4 -83.9-122.6 164.4 5.3 65.9 30.5 154 270 A P - 0 0 2 0, 0.0 -39,-0.1 0, 0.0 -1,-0.0 -0.430 61.6 -88.6 -66.9 142.6 7.5 62.8 30.6 155 271 A S - 0 0 29 -41,-0.2 -40,-0.1 1,-0.2 5,-0.1 -0.248 29.6-146.2 -52.4 133.7 5.5 59.6 30.0 156 272 A S + 0 0 0 -3,-0.1 -114,-3.1 -115,-0.1 -113,-0.2 0.635 66.6 108.9 -78.8 -14.7 4.1 58.2 33.3 157 273 A S B > S-F 41 0B 13 -116,-0.2 3,-2.0 1,-0.2 -116,-0.3 -0.368 77.2-129.1 -63.1 140.7 4.5 54.6 32.1 158 274 A A T 3 S+ 0 0 46 -118,-2.8 -1,-0.2 1,-0.3 -117,-0.1 0.645 104.7 75.1 -65.3 -12.2 7.3 52.8 34.0 159 275 A R T 3 + 0 0 184 -119,-0.4 -1,-0.3 2,-0.0 2,-0.1 0.648 64.2 118.1 -73.9 -16.3 8.5 51.8 30.5 160 276 A C < - 0 0 25 -3,-2.0 -45,-0.0 1,-0.2 0, 0.0 -0.355 49.8-164.3 -55.0 121.6 9.8 55.4 30.0 161 277 A A S S+ 0 0 76 1,-0.2 -1,-0.2 -2,-0.1 44,-0.1 0.830 81.1 57.7 -80.1 -34.6 13.6 54.9 29.5 162 278 A Q S S+ 0 0 106 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.842 116.4 32.1 -66.6 -33.6 14.6 58.5 30.1 163 279 A F - 0 0 15 1,-0.1 -1,-0.2 -8,-0.1 -3,-0.1 -0.829 64.1-178.4-131.5 96.2 13.1 58.7 33.6 164 280 A P + 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.779 65.0 44.9 -60.3 -36.7 13.1 55.4 35.6 165 281 A R S > S- 0 0 10 1,-0.1 3,-1.4 -123,-0.0 4,-0.4 -0.753 81.0-116.1-117.0 161.9 11.3 56.6 38.8 166 282 A A G >> S+ 0 0 2 1,-0.3 4,-2.3 -2,-0.3 3,-1.9 0.914 117.9 56.9 -56.9 -42.4 8.3 58.7 39.7 167 283 A Q G 34 S+ 0 0 41 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.688 98.7 60.5 -64.3 -17.5 10.7 61.2 41.3 168 284 A D G <4 S+ 0 0 2 -3,-1.4 -1,-0.3 1,-0.1 -2,-0.2 0.565 116.1 32.3 -84.9 -7.8 12.5 61.5 37.9 169 285 A K T X> S+ 0 0 0 -3,-1.9 3,-1.7 -4,-0.4 4,-0.5 0.648 93.8 86.0-116.6 -28.3 9.3 62.8 36.3 170 286 A V H >X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.3 3,-1.1 0.719 71.5 79.8 -50.4 -27.6 7.5 64.7 39.1 171 287 A H H 3> S+ 0 0 5 -4,-0.3 4,-2.2 1,-0.3 -1,-0.3 0.883 95.6 46.5 -48.8 -43.9 9.4 67.9 38.3 172 288 A Y H <> S+ 0 0 46 -3,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.711 107.6 54.9 -75.3 -20.4 7.0 68.6 35.4 173 289 A Y H S+ 0 0 11 -4,-2.9 5,-2.7 1,-0.2 4,-0.4 0.916 109.2 53.7 -56.9 -43.8 -2.1 78.1 40.0 182 298 A Q H ><5S+ 0 0 104 -4,-2.0 3,-1.3 1,-0.2 -1,-0.2 0.920 107.2 50.5 -56.6 -47.7 -0.9 81.0 37.9 183 299 A L H 3<5S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 115.1 43.2 -61.6 -33.1 -3.9 80.6 35.5 184 300 A K T 3<5S- 0 0 96 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.360 111.7-120.0 -94.1 5.3 -6.3 80.6 38.5 185 301 A G T < 5 + 0 0 64 -3,-1.3 2,-0.2 -4,-0.4 -3,-0.2 0.719 53.0 168.0 64.4 18.5 -4.5 83.5 40.2 186 302 A I < - 0 0 80 -5,-2.7 -1,-0.2 -6,-0.2 2,-0.1 -0.496 47.5-100.3 -67.1 129.6 -3.9 81.1 43.1 187 303 A E - 0 0 153 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.1 -0.306 39.0-148.9 -54.9 120.9 -1.3 82.7 45.4 188 304 A R - 0 0 44 -2,-0.1 2,-1.3 -3,-0.1 -1,-0.1 -0.851 10.9-132.1 -99.0 124.9 2.0 81.1 44.7 189 305 A N > - 0 0 79 -2,-0.5 3,-0.8 1,-0.2 -2,-0.0 -0.623 24.7-176.3 -76.5 96.9 4.5 80.8 47.6 190 306 A M T 3 + 0 0 62 -2,-1.3 3,-0.2 1,-0.2 -1,-0.2 0.223 61.1 94.1 -81.4 15.7 7.6 82.2 45.9 191 307 A D T 3 S+ 0 0 40 1,-0.3 47,-2.1 46,-0.1 2,-0.4 0.916 98.9 22.4 -69.7 -42.1 9.8 81.5 49.0 192 308 A V E < S+G 237 0C 11 -3,-0.8 2,-0.4 45,-0.2 -1,-0.3 -0.992 70.0 170.1-130.0 130.1 10.7 78.2 47.4 193 309 A Q E -G 236 0C 53 43,-1.5 43,-3.6 -2,-0.4 2,-0.5 -0.955 28.0-137.5-143.9 120.9 10.6 77.2 43.7 194 310 A E E +G 235 0C 18 -2,-0.4 41,-0.3 41,-0.3 3,-0.1 -0.649 29.4 167.5 -76.6 124.8 12.0 74.1 42.1 195 311 A V E + 0 0 52 39,-2.3 2,-0.3 -2,-0.5 40,-0.2 0.591 56.1 18.0-115.2 -17.3 13.7 75.2 38.8 196 312 A Q E -G 234 0C 84 38,-1.3 38,-2.4 2,-0.0 2,-0.4 -0.989 49.2-168.0-158.5 148.4 15.7 72.2 37.7 197 313 A Y E +G 233 0C 25 -2,-0.3 2,-0.3 36,-0.2 36,-0.2 -0.965 15.1 163.7-141.4 120.9 16.1 68.5 38.2 198 314 A T E +G 232 0C 54 34,-2.3 34,-3.1 -2,-0.4 2,-0.3 -0.929 9.3 168.1-131.4 156.9 19.0 66.3 36.9 199 315 A F - 0 0 48 -2,-0.3 2,-0.7 32,-0.3 32,-0.2 -0.968 41.4 -88.3-160.3 172.3 20.0 62.8 38.0 200 316 A D > - 0 0 58 29,-0.7 4,-1.8 -2,-0.3 5,-0.2 -0.828 31.3-154.8 -94.6 112.2 22.1 59.8 37.2 201 317 A L H > S+ 0 0 56 -2,-0.7 4,-2.3 1,-0.2 5,-0.2 0.907 89.6 48.5 -51.8 -52.6 20.3 57.5 34.8 202 318 A Q H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.922 111.8 47.4 -60.2 -46.4 22.0 54.3 35.8 203 319 A L H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.830 111.7 53.9 -64.2 -28.9 21.6 54.8 39.6 204 320 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.915 107.9 48.0 -70.1 -44.2 18.0 55.6 39.0 205 321 A Q H X S+ 0 0 93 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.941 113.9 47.1 -61.1 -47.3 17.3 52.4 37.0 206 322 A E H X S+ 0 0 109 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.885 112.9 49.4 -62.3 -39.6 19.0 50.4 39.8 207 323 A D H X S+ 0 0 42 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.918 110.1 50.7 -65.5 -44.8 17.0 52.2 42.4 208 324 A A H X S+ 0 0 32 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.881 110.2 51.3 -60.4 -38.9 13.8 51.6 40.6 209 325 A K H X S+ 0 0 100 -4,-2.2 4,-1.1 -5,-0.2 -2,-0.2 0.963 110.0 48.1 -63.3 -53.1 14.6 47.9 40.3 210 326 A K H >X S+ 0 0 127 -4,-2.3 4,-1.7 1,-0.2 3,-1.1 0.929 111.8 47.7 -54.1 -52.4 15.4 47.5 44.0 211 327 A M H 3< S+ 0 0 79 -4,-2.4 5,-0.3 1,-0.3 -1,-0.2 0.861 109.1 56.3 -58.4 -35.3 12.2 49.3 45.2 212 328 A A H 3< S+ 0 0 83 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.739 106.6 50.7 -68.3 -23.4 10.3 47.1 42.7 213 329 A V H << S+ 0 0 105 -3,-1.1 2,-0.7 -4,-1.1 -2,-0.2 0.822 87.7 90.6 -83.0 -34.2 11.7 44.0 44.4 214 330 A K S < S- 0 0 79 -4,-1.7 2,-2.3 1,-0.1 -1,-0.0 -0.525 75.4-144.0 -67.3 108.5 10.7 45.1 47.9 215 331 A E 0 0 104 -2,-0.7 -1,-0.1 1,-0.2 -3,-0.1 -0.450 360.0 360.0 -76.3 71.8 7.2 43.6 48.4 216 332 A E 0 0 146 -2,-2.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.222 360.0 360.0 63.9 360.0 5.8 46.5 50.4 217 !* 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 0.0 218 19 B G 0 0 88 0, 0.0 2,-0.3 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0-162.5 13.5 90.7 48.7 219 20 B E - 0 0 137 19,-0.0 20,-2.4 2,-0.0 21,-0.3 -0.699 360.0-160.0-101.1 153.9 16.4 88.9 47.1 220 21 B Y E -H 238 0C 75 -2,-0.3 2,-0.3 18,-0.2 18,-0.2 -0.850 2.8-160.3-127.0 162.4 16.6 85.2 46.1 221 22 B I E -H 237 0C 10 16,-2.4 16,-3.2 -2,-0.3 2,-0.6 -0.961 23.7-115.5-139.9 155.9 19.4 82.7 45.3 222 23 B K E -H 236 0C 58 -2,-0.3 62,-2.3 14,-0.2 2,-0.4 -0.839 32.0-168.7 -97.3 124.2 19.6 79.4 43.5 223 24 B L E -H 235 0C 0 12,-2.8 12,-2.5 -2,-0.6 2,-0.6 -0.874 13.1-143.4-113.2 145.7 20.5 76.4 45.7 224 25 B K E -Hi 234 286C 44 61,-2.4 63,-3.1 -2,-0.4 2,-0.7 -0.931 9.8-160.3-111.4 120.1 21.4 72.9 44.6 225 26 B V E -Hi 233 287C 0 8,-3.0 8,-2.9 -2,-0.6 2,-0.5 -0.891 10.5-164.7-103.3 116.6 20.2 70.0 46.7 226 27 B I E -Hi 232 288C 52 61,-2.8 63,-2.5 -2,-0.7 6,-0.2 -0.874 0.7-161.2-107.0 129.0 22.2 66.8 46.1 227 28 B G > - 0 0 10 4,-2.5 3,-1.5 -2,-0.5 63,-0.1 -0.456 36.8-101.4 -98.8 174.3 21.1 63.4 47.2 228 29 B Q T 3 S+ 0 0 119 61,-0.3 62,-0.1 1,-0.3 -1,-0.1 0.630 122.0 60.7 -71.8 -11.6 23.0 60.2 47.6 229 30 B D T 3 S- 0 0 35 2,-0.1 -29,-0.7 -25,-0.0 -1,-0.3 0.217 120.3-111.8 -95.6 12.4 21.7 58.9 44.3 230 31 B S < + 0 0 68 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.638 67.7 151.0 64.8 16.1 23.4 61.9 42.7 231 32 B S - 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