==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR/DNA 13-JAN-13 4IQV . COMPND 2 MOLECULE: DNA NUCLEOTIDYLEXOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR J.GOUGE,M.DELARUE . 359 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 241 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 9.7 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 . 0 0.0 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 35.9 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 1 1 1 1 2 2 1 0 0 1 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 2 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 1 148 A K 0 0 157 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.9 24.4 -1.0 -1.9 2 149 A K - 0 0 96 1,-0.1 2,-0.2 65,-0.0 65,-0.1 -0.728 360.0-115.3 -89.0 129.4 23.4 2.7 -2.1 3 150 A I - 0 0 60 -2,-0.4 7,-0.1 63,-0.3 2,-0.1 -0.453 37.3-123.2 -60.4 123.2 23.1 4.7 1.2 4 151 A S - 0 0 25 5,-0.4 -1,-0.1 -2,-0.2 5,-0.1 -0.390 3.3-132.1 -72.0 151.1 19.4 5.7 1.7 5 152 A Q S S+ 0 0 83 -2,-0.1 2,-0.5 62,-0.1 -1,-0.1 0.558 88.6 85.1 -74.4 -12.4 18.3 9.3 2.1 6 153 A Y S > S- 0 0 9 1,-0.1 3,-1.8 3,-0.1 -2,-0.2 -0.847 70.4-149.7 -99.2 128.1 16.2 8.1 5.1 7 154 A A G > S+ 0 0 0 -2,-0.5 3,-1.6 1,-0.3 299,-0.1 0.815 99.5 64.7 -60.0 -31.9 17.7 7.7 8.6 8 155 A C G 3 S+ 0 0 1 1,-0.3 -1,-0.3 298,-0.2 298,-0.1 0.555 102.5 49.0 -70.2 -9.4 15.1 4.8 9.2 9 156 A Q G < S+ 0 0 88 -3,-1.8 -5,-0.4 341,-0.1 2,-0.3 0.032 106.2 71.8-113.8 18.9 17.0 2.8 6.3 10 157 A R S < S- 0 0 12 -3,-1.6 2,-0.6 347,-0.1 350,-0.1 -0.951 77.2-129.4-130.1 153.3 20.5 3.4 7.9 11 158 A R - 0 0 124 -2,-0.3 2,-0.6 42,-0.2 347,-0.2 -0.940 26.5-174.2-105.0 114.7 22.2 2.1 11.0 12 159 A T B +a 358 0A 0 345,-2.8 347,-2.2 -2,-0.6 2,-0.2 -0.935 7.6 179.0-117.4 103.7 23.6 5.0 13.0 13 160 A T - 0 0 49 -2,-0.6 344,-0.1 39,-0.3 177,-0.1 -0.542 43.5-102.7-100.7 167.5 25.6 3.9 16.0 14 161 A L S S+ 0 0 91 342,-0.3 2,-1.8 -2,-0.2 343,-0.1 0.578 98.5 93.5 -73.2 -7.3 27.5 6.0 18.6 15 162 A N - 0 0 81 38,-0.0 2,-0.7 2,-0.0 -2,-0.2 -0.614 61.0-178.0 -85.2 79.8 30.9 5.3 16.9 16 163 A N > - 0 0 40 -2,-1.8 3,-0.5 1,-0.1 36,-0.1 -0.781 15.5-176.5 -84.0 113.7 30.8 8.5 14.8 17 164 A Y T 3 S+ 0 0 111 -2,-0.7 3,-0.2 37,-0.5 -1,-0.1 0.441 79.8 55.6 -86.8 -4.6 34.0 8.6 12.6 18 165 A N T >> + 0 0 2 39,-0.1 4,-2.8 1,-0.1 3,-0.7 -0.038 58.6 130.1-123.5 33.0 33.0 12.0 11.2 19 166 A Q H <> S+ 0 0 111 -3,-0.5 4,-2.7 1,-0.2 5,-0.3 0.769 71.3 62.9 -57.6 -31.4 32.6 14.2 14.3 20 167 A L H 3> S+ 0 0 107 -3,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.922 114.4 32.6 -60.0 -43.9 34.9 16.9 12.7 21 168 A F H <> S+ 0 0 10 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.906 121.4 47.7 -78.2 -46.7 32.3 17.4 9.9 22 169 A T H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.834 106.5 55.7 -71.1 -33.3 29.1 16.7 11.9 23 170 A D H X S+ 0 0 72 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.931 113.1 44.1 -62.6 -41.3 30.0 18.9 14.9 24 171 A A H X S+ 0 0 6 -4,-0.9 4,-2.3 -5,-0.3 -2,-0.2 0.930 115.1 47.2 -65.6 -47.8 30.4 21.8 12.4 25 172 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.871 110.7 52.7 -63.3 -37.7 27.2 20.9 10.5 26 173 A D H X S+ 0 0 54 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.858 110.1 48.5 -65.0 -37.0 25.3 20.6 13.8 27 174 A I H X S+ 0 0 31 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.917 112.6 47.9 -67.1 -45.7 26.5 24.2 14.8 28 175 A L H X S+ 0 0 15 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.899 112.9 48.4 -64.0 -39.4 25.4 25.5 11.4 29 176 A A H X S+ 0 0 4 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.907 111.1 50.4 -65.1 -43.2 22.0 23.8 11.7 30 177 A E H X S+ 0 0 77 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.872 109.3 51.3 -63.0 -40.7 21.5 25.2 15.2 31 178 A N H X S+ 0 0 24 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.899 107.6 52.3 -64.7 -40.0 22.4 28.7 14.0 32 179 A D H <>S+ 0 0 20 -4,-1.8 5,-3.2 2,-0.2 -1,-0.2 0.803 107.5 53.0 -67.1 -28.9 19.8 28.4 11.2 33 180 A E H ><5S+ 0 0 105 -4,-1.4 3,-1.3 3,-0.2 -2,-0.2 0.939 111.8 45.1 -67.8 -46.2 17.2 27.4 13.8 34 181 A L H 3<5S+ 0 0 14 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.865 112.6 50.6 -62.8 -41.1 18.1 30.6 15.8 35 182 A R T 3<5S- 0 0 120 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.278 116.0-118.2 -83.0 8.7 18.0 32.7 12.6 36 183 A E T < 5 + 0 0 92 -3,-1.3 2,-1.0 1,-0.2 -3,-0.2 0.719 69.2 140.8 58.5 29.6 14.5 31.2 11.8 37 184 A N >< + 0 0 81 -5,-3.2 4,-2.0 1,-0.2 -1,-0.2 -0.724 20.3 170.8-100.6 80.2 15.8 29.6 8.6 38 185 A E H > S+ 0 0 79 -2,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.852 72.7 54.0 -58.3 -41.1 14.0 26.2 8.8 39 186 A G H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.908 112.0 40.9 -61.4 -51.6 15.0 25.2 5.2 40 187 A S H > S+ 0 0 17 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.856 113.8 56.5 -67.4 -34.0 18.8 25.6 5.6 41 188 A C H X S+ 0 0 13 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.940 108.1 46.9 -59.9 -50.4 18.5 24.1 9.1 42 189 A L H X S+ 0 0 59 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.874 109.6 53.6 -60.2 -43.3 16.9 20.9 7.7 43 190 A A H X S+ 0 0 49 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.901 112.1 44.1 -61.0 -43.3 19.5 20.6 4.9 44 191 A F H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.861 112.3 53.3 -70.0 -35.4 22.4 20.8 7.4 45 192 A M H X S+ 0 0 56 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.877 110.3 46.8 -65.7 -38.6 20.6 18.3 9.8 46 193 A R H X S+ 0 0 58 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.876 114.2 47.3 -70.2 -41.7 20.2 15.7 6.9 47 194 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.912 113.6 47.2 -65.1 -47.2 23.8 16.1 5.8 48 195 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.924 112.0 52.4 -59.9 -44.4 25.1 15.7 9.4 49 196 A S H X S+ 0 0 2 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.895 108.3 48.8 -59.5 -47.6 22.8 12.7 9.9 50 197 A V H >< S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 4,-0.4 0.903 111.0 50.1 -64.7 -39.0 24.0 10.8 6.8 51 198 A L H >< S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.3 -34,-0.2 0.878 103.5 60.6 -66.5 -35.0 27.7 11.3 7.8 52 199 A K H 3< S+ 0 0 47 -4,-1.9 -39,-0.3 1,-0.3 -1,-0.3 0.747 100.8 56.7 -60.1 -26.9 27.0 10.0 11.3 53 200 A S T << S+ 0 0 23 -3,-0.9 -1,-0.3 -4,-0.8 -42,-0.2 0.608 81.8 112.1 -80.4 -16.1 25.9 6.7 9.7 54 201 A L < - 0 0 6 -3,-1.5 -37,-0.5 -4,-0.4 -36,-0.1 -0.314 60.1-149.0 -64.8 140.5 29.3 6.1 7.9 55 202 A P S S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.321 83.1 39.9 -87.3 7.1 31.5 3.2 9.0 56 203 A F S S- 0 0 77 -38,-0.0 2,-0.3 0, 0.0 -39,-0.1 -0.979 90.2 -99.5-147.8 158.5 34.6 5.2 8.1 57 204 A P - 0 0 60 0, 0.0 2,-0.4 0, 0.0 -39,-0.1 -0.614 34.2-117.5 -84.3 142.3 35.9 8.8 8.3 58 205 A I + 0 0 6 -2,-0.3 3,-0.1 1,-0.2 -37,-0.1 -0.627 42.2 163.2 -70.6 124.7 35.8 11.1 5.2 59 206 A T + 0 0 104 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.389 63.4 21.2-123.2 -3.6 39.5 12.0 4.5 60 207 A S S > S- 0 0 46 1,-0.1 3,-0.9 0, 0.0 -1,-0.3 -0.963 80.9-107.6-157.0 159.3 39.1 13.3 0.8 61 208 A M G > S+ 0 0 60 -2,-0.3 3,-2.0 1,-0.2 4,-0.3 0.835 115.7 66.6 -63.4 -29.2 36.3 14.7 -1.3 62 209 A K G > S+ 0 0 58 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.821 89.4 66.1 -58.7 -34.3 36.2 11.4 -3.3 63 210 A D G < S+ 0 0 51 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.2 0.646 92.9 61.3 -61.7 -18.3 35.0 9.7 -0.1 64 211 A T G X S+ 0 0 5 -3,-2.0 3,-1.9 -4,-0.2 -1,-0.3 0.555 75.5 120.7 -87.5 -9.3 31.7 11.7 -0.5 65 212 A E T < S+ 0 0 154 -3,-1.7 -3,-0.0 1,-0.3 0, 0.0 -0.306 81.4 10.9 -59.0 130.3 30.8 10.2 -3.9 66 213 A G T 3 S+ 0 0 71 1,-0.3 -63,-0.3 -64,-0.0 -1,-0.3 0.392 92.8 128.8 81.1 -1.4 27.4 8.4 -3.8 67 214 A I < - 0 0 14 -3,-1.9 3,-0.5 -65,-0.1 -1,-0.3 -0.755 51.6-140.8 -85.4 124.2 26.5 9.8 -0.4 68 215 A P S S+ 0 0 33 0, 0.0 -18,-0.1 0, 0.0 3,-0.1 -0.266 76.6 40.5 -77.0 173.8 22.9 11.4 -0.5 69 216 A C S S+ 0 0 38 1,-0.1 2,-0.6 -19,-0.1 -19,-0.1 0.663 78.9 123.5 64.1 21.5 21.9 14.6 1.2 70 217 A L - 0 0 15 -3,-0.5 -1,-0.1 -6,-0.1 -3,-0.1 -0.783 39.7-178.1-116.4 86.5 25.2 16.4 0.4 71 218 A G > - 0 0 42 -2,-0.6 4,-2.5 -28,-0.1 5,-0.1 -0.098 45.0 -93.6 -70.8 175.2 24.3 19.6 -1.5 72 219 A D H > S+ 0 0 148 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.886 125.6 52.9 -61.5 -40.0 26.9 22.1 -2.9 73 220 A K H > S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.941 112.7 44.8 -58.8 -49.5 26.7 24.3 0.3 74 221 A V H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.891 110.7 53.7 -61.8 -44.2 27.5 21.2 2.5 75 222 A K H X S+ 0 0 66 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.867 105.4 54.7 -63.1 -34.3 30.3 20.0 0.2 76 223 A S H X S+ 0 0 52 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.886 109.1 47.9 -63.4 -40.9 32.0 23.4 0.4 77 224 A I H X S+ 0 0 4 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.908 112.7 47.8 -65.9 -43.5 31.9 23.1 4.3 78 225 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.913 111.2 51.9 -62.1 -44.8 33.4 19.4 4.0 79 226 A E H X S+ 0 0 119 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.891 108.8 50.9 -56.7 -45.7 36.1 20.7 1.6 80 227 A G H X S+ 0 0 22 -4,-2.0 4,-1.4 2,-0.2 6,-0.5 0.813 110.0 48.3 -62.9 -38.1 37.1 23.5 4.0 81 228 A I H X S+ 0 0 3 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.885 110.7 51.1 -72.2 -39.9 37.4 21.1 7.0 82 229 A I H < S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 106.7 59.3 -62.7 -38.5 39.6 18.6 4.8 83 230 A E H < S- 0 0 80 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 134.0 -8.4 -57.6 -54.0 41.8 21.7 3.9 84 231 A D H < S- 0 0 106 -4,-1.4 -2,-0.2 2,-0.4 -1,-0.2 0.218 94.7-102.3-136.0 16.7 42.9 22.7 7.5 85 232 A G S < S+ 0 0 33 -4,-2.5 2,-0.3 1,-0.2 -4,-0.2 0.450 93.8 88.5 76.1 2.7 40.9 20.6 10.0 86 233 A E S S- 0 0 122 -6,-0.5 2,-0.6 -5,-0.1 -2,-0.4 -0.935 71.4-131.2-132.3 154.8 38.5 23.5 10.8 87 234 A S > - 0 0 13 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 -0.932 10.1-167.0-106.5 112.8 35.3 25.0 9.5 88 235 A S H > S+ 0 0 88 -2,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.842 92.4 54.7 -65.4 -33.4 35.6 28.8 9.1 89 236 A E H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.923 111.6 41.0 -64.3 -50.6 31.7 28.9 8.8 90 237 A A H > S+ 0 0 6 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.838 112.7 57.1 -68.2 -32.5 31.2 27.1 12.1 91 238 A K H X S+ 0 0 47 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.885 105.5 50.3 -64.4 -41.2 34.0 29.2 13.7 92 239 A A H X S+ 0 0 65 -4,-1.9 4,-0.5 2,-0.2 3,-0.2 0.881 111.3 48.8 -63.5 -40.6 32.1 32.4 12.7 93 240 A V H >< S+ 0 0 11 -4,-1.5 3,-1.1 1,-0.2 -2,-0.2 0.914 108.5 53.1 -65.2 -45.6 28.9 31.0 14.3 94 241 A L H 3< S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.748 113.8 43.4 -62.8 -26.0 30.8 30.1 17.6 95 242 A N H 3< S+ 0 0 110 -4,-1.1 -1,-0.3 -3,-0.2 2,-0.2 0.460 87.9 113.5 -97.5 -6.7 32.1 33.7 17.8 96 243 A D S+ 0 0 107 -2,-0.2 4,-2.1 2,-0.2 5,-0.1 0.869 99.6 48.7 -63.2 -40.7 27.3 37.3 19.9 98 245 A R H > S+ 0 0 29 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 113.0 47.5 -66.3 -44.8 23.6 36.2 19.1 99 246 A Y H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 112.6 48.7 -63.2 -46.6 24.5 32.5 18.8 100 247 A K H X S+ 0 0 114 -4,-2.4 4,-2.3 -7,-0.2 -1,-0.2 0.903 113.8 47.2 -57.9 -46.0 26.6 32.5 22.0 101 248 A S H X S+ 0 0 5 -4,-2.1 4,-3.0 2,-0.2 5,-0.3 0.890 111.5 50.3 -64.1 -42.1 23.7 34.3 23.9 102 249 A F H X S+ 0 0 11 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.915 112.8 45.9 -65.9 -41.9 21.1 31.9 22.6 103 250 A K H X S+ 0 0 70 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.922 117.4 44.6 -64.6 -44.5 23.1 28.8 23.6 104 251 A L H < S+ 0 0 62 -4,-2.3 3,-0.5 -5,-0.2 -2,-0.2 0.921 116.7 43.2 -66.6 -50.0 23.9 30.2 27.0 105 252 A F H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.900 112.5 51.2 -69.0 -41.4 20.4 31.5 27.9 106 253 A T H 3< S+ 0 0 53 -4,-2.3 -1,-0.2 -5,-0.3 5,-0.2 0.644 91.1 78.5 -73.2 -9.5 18.5 28.4 26.5 107 254 A S T 3< S+ 0 0 49 -4,-0.7 2,-0.4 -3,-0.5 -1,-0.3 0.653 80.0 87.7 -69.6 -12.1 20.8 26.2 28.7 108 255 A V S X S- 0 0 3 -3,-1.6 3,-1.9 -4,-0.2 2,-0.2 -0.725 93.0-113.8 -86.7 130.7 18.5 27.3 31.6 109 256 A F T 3 S+ 0 0 32 -2,-0.4 36,-0.5 36,-0.3 37,-0.1 -0.490 105.0 28.0 -66.6 125.4 15.4 25.1 32.1 110 257 A G T 3 S+ 0 0 24 -2,-0.2 2,-0.6 1,-0.2 32,-0.3 0.302 96.3 106.9 104.0 -6.3 12.4 27.2 31.3 111 258 A V < + 0 0 11 -3,-1.9 -1,-0.2 -5,-0.2 2,-0.1 -0.935 42.3 166.9-109.5 118.0 14.2 29.5 28.8 112 259 A G > - 0 0 38 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.356 54.1 -69.2-111.7-166.0 13.4 29.0 25.1 113 260 A L H > S+ 0 0 86 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.854 127.2 49.6 -56.6 -44.9 14.0 30.9 21.8 114 261 A K H > S+ 0 0 77 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 114.6 42.2 -65.9 -45.9 11.6 33.8 22.6 115 262 A T H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.902 114.3 52.3 -69.1 -38.9 12.9 34.6 26.2 116 263 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.882 111.9 46.9 -61.5 -38.6 16.6 34.2 25.0 117 264 A E H X S+ 0 0 74 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.890 111.0 51.9 -68.6 -42.8 15.8 36.7 22.2 118 265 A K H X S+ 0 0 115 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.917 111.3 45.8 -59.3 -49.5 14.1 39.1 24.6 119 266 A W H <>S+ 0 0 4 -4,-2.6 5,-2.4 1,-0.2 4,-0.4 0.865 111.7 52.2 -66.7 -37.0 17.0 39.1 27.0 120 267 A F H ><5S+ 0 0 29 -4,-1.8 3,-1.5 1,-0.2 -2,-0.2 0.925 109.3 49.1 -63.0 -46.9 19.6 39.6 24.2 121 268 A R H 3<5S+ 0 0 160 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.650 105.9 58.9 -68.6 -15.4 17.7 42.6 22.8 122 269 A M T 3<5S- 0 0 91 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.577 124.2-105.4 -87.8 -9.8 17.6 44.0 26.4 123 270 A G T < 5S+ 0 0 50 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.2 0.484 70.6 145.0 98.2 9.4 21.4 43.9 26.4 124 271 A F < + 0 0 29 -5,-2.4 -1,-0.3 1,-0.1 -2,-0.1 -0.593 13.1 161.7 -79.3 141.3 22.0 40.9 28.7 125 272 A R + 0 0 78 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.476 57.1 52.3-130.9 -16.2 25.0 38.6 27.9 126 273 A T > - 0 0 63 1,-0.1 4,-1.4 -22,-0.0 -1,-0.2 -0.939 68.6-132.7-128.8 151.7 25.6 36.6 31.1 127 274 A L H > S+ 0 0 19 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.848 108.0 60.1 -67.9 -33.5 23.5 34.4 33.4 128 275 A S H > S+ 0 0 83 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 106.8 45.8 -59.3 -44.3 24.9 36.2 36.4 129 276 A K H > S+ 0 0 136 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.841 114.4 49.2 -68.5 -33.3 23.5 39.6 35.2 130 277 A I H >< S+ 0 0 0 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.967 112.5 45.9 -69.2 -54.2 20.1 38.0 34.3 131 278 A Q H 3< S+ 0 0 97 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.732 115.3 46.1 -57.2 -37.8 19.7 36.2 37.8 132 279 A S H 3< S+ 0 0 69 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.495 83.5 116.8 -88.3 -7.9 20.6 39.3 39.8 133 280 A D << - 0 0 55 -3,-1.0 -3,-0.0 -4,-0.6 -4,-0.0 -0.387 51.3-158.8 -64.4 133.8 18.5 41.7 37.9 134 281 A K S S+ 0 0 201 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.0 0.530 86.7 52.7 -93.3 -6.3 15.8 43.3 40.1 135 282 A S S S+ 0 0 105 2,-0.0 -1,-0.1 0, 0.0 -2,-0.0 0.779 86.6 94.8 -97.4 -29.8 13.4 44.3 37.3 136 283 A L - 0 0 27 -6,-0.2 2,-0.5 1,-0.1 -6,-0.0 -0.251 62.6-148.2 -63.3 143.6 13.2 40.9 35.4 137 284 A R - 0 0 231 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.978 13.6-154.6-115.8 126.8 10.2 38.6 36.3 138 285 A F - 0 0 44 -2,-0.5 2,-0.1 2,-0.0 0, 0.0 -0.835 12.7-123.9-107.1 145.6 10.8 34.9 36.0 139 286 A T > - 0 0 75 -2,-0.4 4,-2.1 -29,-0.1 5,-0.1 -0.316 34.4-107.4 -72.0 162.1 8.4 32.0 35.4 140 287 A Q H > S+ 0 0 135 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.872 123.2 53.8 -61.8 -34.6 8.2 29.1 38.0 141 288 A M H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 110.3 46.4 -62.4 -45.2 10.0 26.9 35.4 142 289 A Q H > S+ 0 0 9 -32,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.822 107.8 56.4 -66.8 -37.9 12.9 29.5 35.0 143 290 A K H X S+ 0 0 105 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.934 112.2 42.6 -59.2 -46.1 13.2 29.9 38.8 144 291 A A H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.900 111.3 56.4 -65.2 -42.2 13.8 26.1 39.1 145 292 A G H < S+ 0 0 0 -4,-2.3 -36,-0.3 -36,-0.5 -2,-0.2 0.854 114.2 38.4 -56.5 -41.2 16.1 26.3 36.1 146 293 A F H >< S+ 0 0 19 -4,-2.3 3,-0.9 2,-0.2 4,-0.3 0.866 114.1 53.8 -77.3 -41.8 18.3 29.0 37.8 147 294 A L H 3< S+ 0 0 126 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.863 123.2 27.7 -61.8 -39.7 18.1 27.4 41.3 148 295 A Y T 3X S+ 0 0 36 -4,-2.4 4,-2.5 1,-0.1 -1,-0.2 0.086 86.5 124.1-111.2 22.2 19.3 23.9 40.1 149 296 A Y H <> S+ 0 0 35 -3,-0.9 4,-2.5 1,-0.2 5,-0.2 0.844 71.2 48.4 -50.9 -54.8 21.3 25.2 37.1 150 297 A E H > S+ 0 0 145 -4,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.894 115.3 45.3 -58.1 -42.5 24.8 23.7 38.0 151 298 A D H 4 S+ 0 0 26 1,-0.2 3,-0.4 -3,-0.2 -2,-0.2 0.929 115.7 46.2 -66.3 -45.8 23.2 20.2 38.6 152 299 A L H < S+ 0 0 24 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.811 110.4 52.6 -68.6 -32.1 21.0 20.3 35.5 153 300 A V H < S+ 0 0 65 -4,-2.5 2,-0.3 -5,-0.2 -1,-0.2 0.712 93.5 84.9 -79.3 -20.9 23.9 21.5 33.2 154 301 A S S < S- 0 0 49 -4,-1.1 2,-0.0 -3,-0.4 0, 0.0 -0.601 97.2-101.6 -78.0 136.3 26.2 18.6 34.4 155 302 A C - 0 0 66 -2,-0.3 2,-0.4 1,-0.1 40,-0.2 -0.370 25.5-123.5 -63.8 139.4 25.5 15.5 32.3 156 303 A V E -B 194 0B 5 38,-2.8 38,-1.3 -4,-0.1 2,-0.1 -0.703 34.4-153.2 -75.0 126.7 23.2 12.8 33.8 157 304 A N E > -B 193 0B 55 -2,-0.4 4,-2.4 36,-0.2 36,-0.2 -0.466 27.5 -97.5 -98.5 176.2 25.3 9.6 33.7 158 305 A R H > S+ 0 0 129 34,-0.7 4,-2.9 2,-0.2 5,-0.2 0.931 121.8 53.0 -63.3 -46.3 24.2 5.9 33.4 159 306 A P H > S+ 0 0 40 0, 0.0 4,-1.8 0, 0.0 110,-0.3 0.895 113.5 45.7 -57.0 -37.8 24.4 5.1 37.3 160 307 A E H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.920 111.8 50.5 -67.3 -45.3 22.2 8.3 37.9 161 308 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.902 112.5 47.6 -59.5 -41.2 19.7 7.3 35.1 162 309 A E H X S+ 0 0 108 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.860 109.4 53.0 -68.4 -35.0 19.5 3.8 36.7 163 310 A A H X S+ 0 0 5 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.915 110.7 47.2 -65.5 -41.8 19.0 5.3 40.2 164 311 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.907 108.3 56.6 -63.9 -43.4 16.1 7.4 38.8 165 312 A S H X S+ 0 0 7 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.886 106.4 49.9 -55.9 -42.6 14.7 4.2 37.1 166 313 A M H X S+ 0 0 93 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.909 112.1 47.1 -60.9 -46.1 14.6 2.4 40.5 167 314 A L H X S+ 0 0 7 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.910 113.9 47.6 -62.1 -46.9 12.8 5.4 42.1 168 315 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.947 115.2 45.3 -60.1 -52.3 10.2 5.6 39.1 169 316 A K H X S+ 0 0 87 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.911 112.6 50.9 -59.0 -47.2 9.6 1.9 39.2 170 317 A E H X S+ 0 0 109 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.873 116.0 41.7 -58.4 -43.9 9.2 1.8 43.1 171 318 A A H X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 3,-0.4 0.928 115.5 49.0 -69.0 -48.6 6.7 4.7 43.0 172 319 A V H >X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 3,-1.2 0.921 109.5 49.8 -59.9 -51.7 4.7 3.5 39.9 173 320 A V H 3< S+ 0 0 69 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.727 98.3 70.2 -64.7 -21.8 4.2 -0.2 41.2 174 321 A T H 3< S+ 0 0 88 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.869 117.3 21.3 -61.0 -36.3 3.0 1.2 44.6 175 322 A F H << S+ 0 0 67 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.768 140.9 26.2-104.2 -35.5 -0.2 2.4 42.8 176 323 A L >< - 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0 0 155 -2,-0.4 2,-0.3 -11,-0.1 -45,-0.1 -0.599 19.6-176.4 -86.7 149.2 -1.9 -2.8 15.2 338 488 A A - 0 0 3 -47,-0.4 -44,-0.5 -2,-0.2 -43,-0.2 -0.972 24.8-176.0-150.2 134.1 1.5 -3.5 16.8 339 489 A E S S+ 0 0 108 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.467 81.6 18.9-102.4 -6.1 2.6 -5.2 20.0 340 490 A S S > S- 0 0 36 1,-0.1 4,-1.0 -47,-0.0 3,-0.3 -0.953 80.7-106.1-155.0 165.0 6.3 -4.3 19.5 341 491 A E H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 3,-0.4 0.880 117.6 62.7 -64.4 -37.5 8.6 -1.9 17.5 342 492 A E H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.862 101.3 51.2 -53.8 -42.0 9.5 -4.9 15.3 343 493 A E H > S+ 0 0 83 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.831 108.3 51.8 -67.3 -34.9 5.9 -5.2 14.1 344 494 A I H X S+ 0 0 0 -4,-1.0 4,-1.5 -3,-0.4 -2,-0.2 0.947 110.8 47.3 -65.3 -48.5 5.8 -1.4 13.3 345 495 A F H <>S+ 0 0 2 -4,-2.3 5,-2.4 1,-0.2 4,-0.5 0.910 112.1 51.4 -57.9 -42.2 9.0 -1.8 11.1 346 496 A A H ><5S+ 0 0 72 -4,-2.3 3,-1.2 1,-0.2 -1,-0.2 0.899 107.1 52.2 -62.4 -43.7 7.4 -4.9 9.4 347 497 A H H 3<5S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.812 111.6 48.0 -59.7 -34.4 4.2 -2.9 8.6 348 498 A L T 3<5S- 0 0 0 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.463 113.9-117.4 -85.8 -8.6 6.4 -0.2 7.0 349 499 A G T < 5S+ 0 0 48 -3,-1.2 2,-0.4 -4,-0.5 -3,-0.2 0.792 70.1 136.3 72.7 30.0 8.5 -2.7 5.0 350 500 A L < - 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