==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RECOMBINATION 04-FEB-12 4DKS . COMPND 2 MOLECULE: PROBABLE INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS VIRUS 1; . AUTHOR S.OUYANG,W.LIANG,L.HUANG,Z.-J.LIU . 145 4 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8383.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 64.1 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 . 8 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0.7 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 . 4 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 44.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 0 2 0 1 0 1 0 1 1 0 0 1 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 174 A A 0 0 148 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 46.7 32.4 0.1 21.8 2 175 A D > - 0 0 120 3,-0.1 3,-1.0 1,-0.1 0, 0.0 -0.781 360.0-147.6-167.8 116.5 34.8 2.9 23.1 3 176 A I T 3 S+ 0 0 144 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 0.840 85.4 41.6 -66.1 -50.5 38.5 2.5 23.5 4 177 A Y T 3 S+ 0 0 151 2,-0.0 -1,-0.2 99,-0.0 99,-0.1 0.286 80.0 115.0 -92.8 12.3 39.8 4.6 26.4 5 178 A I < - 0 0 46 -3,-1.0 -3,-0.1 98,-0.1 96,-0.1 -0.726 63.0-135.1 -79.7 119.3 37.0 3.9 28.8 6 179 A P - 0 0 7 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.132 15.4-117.8 -63.3 167.4 38.4 2.0 31.8 7 180 A T > - 0 0 56 1,-0.1 4,-2.1 0, 0.0 5,-0.2 -0.669 25.4-109.7-101.0 164.2 36.7 -1.0 33.3 8 181 A L H > S+ 0 0 65 -2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.875 120.6 53.5 -58.3 -35.6 35.4 -1.2 36.9 9 182 A E H > S+ 0 0 118 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 107.3 47.8 -68.7 -46.5 38.2 -3.6 37.6 10 183 A E H > S+ 0 0 83 2,-0.2 4,-1.9 1,-0.2 86,-0.4 0.856 116.0 46.1 -61.7 -36.9 41.0 -1.4 36.3 11 184 A I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.929 109.6 53.2 -70.5 -46.7 39.6 1.5 38.3 12 185 A K H X S+ 0 0 125 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.911 111.5 48.3 -50.5 -45.4 39.2 -0.7 41.4 13 186 A R H X S+ 0 0 122 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.882 108.8 51.0 -66.7 -43.0 42.9 -1.6 41.0 14 187 A T H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.896 108.8 53.1 -62.2 -41.0 44.1 2.0 40.5 15 188 A L H X S+ 0 0 28 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.917 111.0 45.7 -59.0 -44.2 42.2 3.1 43.7 16 189 A Q H X S+ 0 0 115 -4,-1.7 4,-2.5 1,-0.2 5,-0.2 0.916 111.1 52.2 -66.6 -46.1 43.9 0.3 45.7 17 190 A L H X S+ 0 0 42 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.833 112.3 46.8 -56.8 -34.6 47.3 1.1 44.3 18 191 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 8,-0.5 0.845 109.0 54.2 -78.8 -33.1 46.7 4.8 45.3 19 192 A K H < S+ 0 0 110 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.884 109.6 47.5 -65.4 -41.2 45.5 3.8 48.8 20 193 A D H < S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 116.5 45.6 -66.8 -35.8 48.7 1.8 49.4 21 194 A Y H < S- 0 0 80 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.911 127.8 -21.1 -73.5 -47.0 50.8 4.7 48.1 22 195 A S X - 0 0 30 -4,-2.8 4,-1.3 1,-0.1 -1,-0.3 -0.989 39.4-136.9-166.8 151.9 49.1 7.7 49.9 23 196 A E H > S+ 0 0 137 -2,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.785 108.5 52.0 -87.5 -28.4 46.0 8.7 51.7 24 197 A N H > S+ 0 0 58 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.899 112.6 43.5 -70.8 -43.2 46.0 12.1 50.0 25 198 A V H > S+ 0 0 4 -7,-0.2 4,-2.1 1,-0.2 3,-0.2 0.891 111.8 54.1 -71.3 -40.5 46.4 10.7 46.5 26 199 A Y H X S+ 0 0 37 -4,-1.3 4,-2.2 -8,-0.5 -1,-0.2 0.871 105.5 54.6 -59.6 -37.2 43.8 8.0 47.2 27 200 A F H X S+ 0 0 11 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.838 106.8 50.7 -68.6 -33.0 41.3 10.7 48.2 28 201 A I H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.2 -2,-0.2 0.922 110.9 46.5 -71.7 -45.4 41.8 12.6 45.0 29 202 A Y H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.883 110.0 56.6 -61.0 -38.0 41.2 9.5 42.8 30 203 A R H X S+ 0 0 87 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.945 110.0 42.9 -60.1 -48.1 38.2 8.8 45.0 31 204 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.898 110.1 56.7 -66.4 -41.5 36.7 12.2 44.2 32 205 A A H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.902 109.9 46.3 -50.8 -45.2 37.6 11.9 40.6 33 206 A L H < S+ 0 0 17 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.899 115.9 45.2 -67.2 -39.7 35.6 8.7 40.5 34 207 A E H < S+ 0 0 9 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.816 124.6 29.8 -69.0 -32.3 32.6 10.3 42.4 35 208 A S H < S- 0 0 0 -4,-2.6 36,-0.3 -5,-0.1 -3,-0.2 0.833 79.5-141.1-104.4 -38.9 32.5 13.5 40.4 36 209 A G < + 0 0 0 -4,-1.9 2,-0.2 -5,-0.4 -4,-0.1 0.711 59.2 137.0 76.7 23.5 33.7 12.9 36.8 37 210 A V - 0 0 9 -6,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.683 60.9 -87.2-108.0 151.9 35.4 16.3 37.0 38 211 A R > - 0 0 135 85,-0.4 4,-2.0 -2,-0.2 3,-0.5 -0.216 32.5-119.0 -56.3 144.7 38.9 17.5 35.9 39 212 A L H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.832 114.5 55.9 -45.7 -41.1 41.9 17.0 38.2 40 213 A S H > S+ 0 0 48 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 106.5 48.6 -67.2 -38.2 42.4 20.8 38.2 41 214 A E H > S+ 0 0 51 -3,-0.5 4,-1.1 1,-0.2 -1,-0.2 0.863 109.8 53.9 -69.0 -35.0 38.9 21.4 39.4 42 215 A I H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 3,-0.4 0.931 110.4 45.0 -61.8 -47.5 39.4 18.8 42.1 43 216 A L H < S+ 0 0 13 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.869 110.7 54.1 -67.7 -35.3 42.5 20.5 43.4 44 217 A K H < S+ 0 0 139 -4,-2.1 3,-0.3 1,-0.2 -1,-0.2 0.780 111.9 46.6 -64.2 -26.8 40.9 24.0 43.3 45 218 A V H >< S+ 0 0 1 -4,-1.1 3,-1.2 -3,-0.4 -2,-0.2 0.807 102.9 59.6 -90.9 -32.6 38.1 22.7 45.4 46 219 A L T 3< S+ 0 0 2 -4,-1.8 33,-1.1 1,-0.2 -1,-0.2 0.437 96.7 63.6 -79.3 0.9 40.1 20.8 48.1 47 220 A K T 3 S+ 0 0 123 -4,-0.3 -1,-0.2 -3,-0.3 -2,-0.1 0.468 115.2 29.9-100.8 -5.4 41.9 24.1 49.1 48 221 A E S X S+ 0 0 80 -3,-1.2 3,-1.8 -4,-0.1 -1,-0.2 -0.283 72.1 153.9-141.4 51.7 38.6 25.6 50.2 49 222 A P G > + 0 0 17 0, 0.0 3,-1.5 0, 0.0 27,-0.3 0.583 57.8 81.8 -66.4 -7.0 36.6 22.5 51.3 50 223 A E G 3 S+ 0 0 117 1,-0.3 -4,-0.1 -3,-0.0 28,-0.0 0.626 81.8 63.7 -74.5 -12.3 34.5 24.6 53.7 51 224 A R G < S+ 0 0 111 -3,-1.8 -1,-0.3 -6,-0.2 2,-0.2 0.362 78.6 116.9 -87.7 2.2 32.2 25.7 50.8 52 225 A D < - 0 0 29 -3,-1.5 2,-0.4 9,-0.1 9,-0.2 -0.488 53.2-153.6 -70.7 141.5 31.2 22.0 50.4 53 226 A I E -A 60 0A 79 7,-2.2 7,-2.9 -2,-0.2 2,-0.5 -0.978 6.5-164.6-117.4 130.0 27.5 21.3 51.0 54 227 A a E -A 59 0A 62 -2,-0.4 5,-0.2 5,-0.2 2,-0.1 -0.953 5.9-176.3-119.3 119.7 26.3 17.8 52.1 55 228 A G - 0 0 38 3,-2.6 5,-0.0 -2,-0.5 0, 0.0 -0.133 50.6 -80.8 -89.7-164.2 22.7 16.7 51.8 56 229 A N S S+ 0 0 170 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 0.896 123.6 15.0 -67.8 -38.9 21.4 13.4 53.1 57 230 A D S S+ 0 0 81 1,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.856 127.5 21.0-104.4 -48.2 22.5 11.4 50.0 58 231 A V - 0 0 5 16,-0.0 -3,-2.6 2,-0.0 2,-0.3 -0.861 60.3-138.9-127.3 157.6 25.0 13.4 48.0 59 232 A a E -AB 54 72A 5 13,-3.4 13,-2.5 -2,-0.3 2,-0.3 -0.786 18.3-170.4-109.6 159.5 27.4 16.3 48.4 60 233 A Y E -AB 53 71A 37 -7,-2.9 -7,-2.2 -2,-0.3 11,-0.2 -0.984 13.8-154.7-155.1 142.7 28.1 19.2 46.0 61 234 A Y E - B 0 70A 4 9,-1.5 9,-2.8 -2,-0.3 2,-0.4 -0.970 20.1-135.8-122.0 115.3 30.6 22.1 45.7 62 235 A P E - B 0 69A 40 0, 0.0 7,-0.2 0, 0.0 2,-0.1 -0.566 21.4-146.5 -70.4 121.0 29.6 25.3 43.8 63 236 A L 0 0 25 5,-2.9 5,-0.0 -2,-0.4 -22,-0.0 -0.264 360.0 360.0 -79.3 171.4 32.3 26.5 41.5 64 237 A S 0 0 133 3,-0.1 3,-0.1 -2,-0.1 0, 0.0 -0.395 360.0 360.0 59.7 360.0 33.1 30.2 40.6 65 ! 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 66 244 A G 0 0 124 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-141.5 25.9 30.1 35.0 67 245 A V - 0 0 62 -3,-0.1 2,-0.3 2,-0.0 -3,-0.1 -0.978 360.0-152.8-135.7 145.4 27.4 27.9 37.7 68 246 A F - 0 0 53 -2,-0.3 -5,-2.9 56,-0.1 2,-0.4 -0.824 9.6-147.7-112.7 160.1 28.7 24.4 37.9 69 247 A Y E -B 62 0A 53 52,-0.4 2,-0.9 -2,-0.3 55,-0.1 -0.979 13.9-135.2-126.5 140.2 28.9 22.0 40.8 70 248 A V E -B 61 0A 1 -9,-2.8 -9,-1.5 -2,-0.4 2,-0.3 -0.843 31.2-155.1 -86.7 104.7 31.3 19.3 41.7 71 249 A F E +B 60 0A 0 -2,-0.9 2,-0.3 51,-0.4 -11,-0.2 -0.670 27.9 144.5 -84.5 138.2 29.0 16.4 42.7 72 250 A H E -B 59 0A 0 -13,-2.5 -13,-3.4 -2,-0.3 -41,-0.1 -0.916 46.2-133.2-159.8-176.3 30.4 13.8 45.1 73 251 A I S S+ 0 0 31 -2,-0.3 -1,-0.1 -15,-0.2 -13,-0.1 0.720 80.7 65.1-119.2 -42.3 29.6 11.5 47.9 74 252 A T S S- 0 0 19 -15,-0.1 -1,-0.2 1,-0.1 -40,-0.0 -0.792 88.0-107.7 -98.3 132.3 32.3 11.8 50.6 75 253 A P - 0 0 85 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.147 39.7-109.4 -52.9 144.9 32.7 15.1 52.5 76 254 A L - 0 0 22 -27,-0.3 2,-0.3 -31,-0.0 -24,-0.1 -0.503 31.4-168.8 -77.7 146.9 35.8 17.0 51.5 77 255 A K - 0 0 100 -2,-0.2 2,-0.6 -27,-0.0 -27,-0.0 -0.898 40.3 -86.8-124.2 160.7 38.7 17.3 53.9 78 256 A R + 0 0 151 -2,-0.3 2,-0.4 -31,-0.1 -31,-0.1 -0.567 53.5 176.2 -73.0 117.1 41.6 19.7 53.3 79 257 A V - 0 0 5 -33,-1.1 2,-0.5 -2,-0.6 -3,-0.0 -0.960 21.8-157.3-122.5 135.9 44.2 18.0 51.2 80 258 A E + 0 0 157 -2,-0.4 2,-0.3 2,-0.0 -56,-0.1 -0.710 37.7 138.0-115.7 80.6 47.4 19.5 49.9 81 259 A V - 0 0 10 -2,-0.5 2,-0.3 -57,-0.1 -2,-0.1 -0.868 36.9-147.7-111.0 152.9 48.4 17.6 46.8 82 260 A T > - 0 0 75 -2,-0.3 4,-1.5 1,-0.1 3,-0.3 -0.765 31.3-108.5-111.8 164.8 49.8 19.2 43.7 83 261 A K H > S+ 0 0 113 -2,-0.3 4,-2.9 1,-0.2 3,-0.3 0.903 122.1 61.0 -53.0 -40.3 49.4 18.1 40.0 84 262 A W H > S+ 0 0 202 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 101.1 48.7 -54.9 -45.8 53.1 17.3 40.5 85 263 A A H > S+ 0 0 33 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.804 113.0 47.7 -71.3 -28.5 52.5 14.8 43.2 86 264 A I H X S+ 0 0 2 -4,-1.5 4,-2.6 -3,-0.3 -2,-0.2 0.943 110.7 51.2 -71.4 -51.4 49.8 13.0 41.3 87 265 A A H X S+ 0 0 47 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.889 108.5 53.3 -48.8 -45.6 52.0 13.0 38.2 88 266 A D H X S+ 0 0 38 -4,-2.5 4,-1.2 -5,-0.2 -1,-0.2 0.945 108.4 49.5 -55.1 -50.4 54.7 11.5 40.3 89 267 A F H >< S+ 0 0 0 -4,-1.7 3,-0.7 1,-0.2 4,-0.4 0.923 110.2 49.5 -55.7 -50.8 52.3 8.7 41.5 90 268 A E H >< S+ 0 0 61 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.897 104.2 59.1 -56.6 -45.2 51.2 7.8 37.9 91 269 A R H 3< S+ 0 0 178 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.800 104.0 52.2 -56.1 -32.0 54.9 7.6 36.7 92 270 A R T << 0 0 131 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.535 360.0 360.0 -80.3 -7.5 55.5 4.9 39.3 93 271 A H < 0 0 80 -3,-1.9 -1,-0.2 -4,-0.4 -79,-0.0 -0.893 360.0 360.0-132.8 360.0 52.5 2.8 38.1 94 ! 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 95 274 A A 0 0 42 0, 0.0 2,-0.4 0, 0.0 -84,-0.1 0.000 360.0 360.0 360.0 161.5 47.4 2.1 36.6 96 275 A I - 0 0 25 -86,-0.4 2,-0.2 -85,-0.1 5,-0.0 -0.692 360.0-118.0 -77.9 132.9 44.6 4.2 35.0 97 276 A A > - 0 0 23 -2,-0.4 3,-2.5 1,-0.1 4,-0.5 -0.561 21.6-122.9 -68.0 138.7 45.5 7.8 34.5 98 277 A I G >> S+ 0 0 9 1,-0.3 3,-1.4 -2,-0.2 4,-0.5 0.795 108.6 69.0 -54.9 -28.1 43.1 10.0 36.5 99 278 A K G 34 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.678 95.3 55.1 -67.7 -16.0 42.2 11.8 33.3 100 279 A Y G <> S+ 0 0 66 -3,-2.5 4,-1.6 1,-0.2 3,-0.4 0.595 86.0 82.4 -91.6 -11.5 40.4 8.7 32.1 101 280 A F H <> S+ 0 0 0 -3,-1.4 4,-2.4 -4,-0.5 -1,-0.2 0.853 88.2 53.9 -59.5 -36.0 38.3 8.5 35.3 102 281 A R H X S+ 0 0 52 -4,-0.5 4,-2.5 -3,-0.2 -1,-0.2 0.810 102.6 57.0 -72.0 -25.8 35.9 11.0 33.8 103 282 A K H > S+ 0 0 102 -3,-0.4 4,-1.3 -4,-0.3 -1,-0.2 0.888 109.7 45.9 -67.6 -39.4 35.4 8.9 30.7 104 283 A F H X S+ 0 0 1 -4,-1.6 4,-2.8 2,-0.2 5,-0.2 0.953 112.7 49.7 -64.2 -50.6 34.4 6.0 32.9 105 284 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.915 111.4 47.7 -56.9 -46.4 32.0 8.2 34.9 106 285 A A H X S+ 0 0 23 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.831 112.6 52.4 -63.3 -31.4 30.4 9.7 31.8 107 286 A S H X S+ 0 0 31 -4,-1.3 4,-1.5 -5,-0.2 -2,-0.2 0.930 110.1 44.0 -75.1 -46.5 30.0 6.2 30.5 108 287 A K H X S+ 0 0 38 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.913 110.2 57.1 -63.5 -41.4 28.3 4.7 33.6 109 288 A M H <>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.2 -1,-0.2 0.873 105.5 51.3 -55.8 -37.8 26.0 7.7 33.9 110 289 A A H ><5S+ 0 0 49 -4,-1.3 3,-1.3 1,-0.2 -1,-0.2 0.868 107.1 52.9 -68.7 -35.3 24.9 6.9 30.3 111 290 A E H 3<5S+ 0 0 127 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.805 105.9 54.5 -64.5 -31.5 24.2 3.3 31.3 112 291 A L T 3<5S- 0 0 43 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.147 123.5-108.7 -90.0 18.1 22.1 4.7 34.2 113 292 A S T < 5 + 0 0 96 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.775 60.8 159.6 63.8 31.3 20.1 6.7 31.6 114 293 A V < - 0 0 4 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.777 46.7-114.1 -80.8 122.4 21.4 10.2 32.5 115 294 A P >> - 0 0 65 0, 0.0 4,-2.3 0, 0.0 3,-1.1 -0.283 21.6-120.2 -54.0 141.8 20.7 12.4 29.4 116 295 A L H 3> S+ 0 0 117 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.782 111.7 58.0 -59.7 -33.0 24.0 13.6 27.8 117 296 A D H 3> S+ 0 0 120 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.829 110.0 45.1 -66.0 -31.0 23.2 17.3 28.4 118 297 A I H <> S+ 0 0 33 -3,-1.1 4,-3.2 2,-0.2 5,-0.2 0.893 109.1 54.1 -80.2 -41.2 22.9 16.6 32.1 119 298 A I H X S+ 0 0 6 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.897 108.9 51.3 -53.9 -39.8 26.1 14.5 32.1 120 299 A D H <>S+ 0 0 30 -4,-2.1 5,-2.6 1,-0.2 4,-0.3 0.897 111.0 47.4 -66.4 -40.6 27.8 17.5 30.5 121 300 A F H ><5S+ 0 0 37 -4,-1.3 3,-1.0 3,-0.2 -52,-0.4 0.915 111.4 49.5 -65.6 -46.9 26.5 19.7 33.2 122 301 A I H 3<5S+ 0 0 0 -4,-3.2 -51,-0.4 1,-0.2 -2,-0.2 0.930 113.6 47.7 -58.7 -41.5 27.5 17.4 36.0 123 302 A Q T 3<5S- 0 0 12 -4,-2.2 -85,-0.4 -5,-0.2 -1,-0.2 0.389 120.4-104.5 -86.7 0.8 31.0 17.1 34.6 124 303 A G T < 5S+ 0 0 16 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.476 71.8 136.6 98.6 4.0 31.5 20.8 34.1 125 304 A R < - 0 0 73 -5,-2.6 -1,-0.3 -6,-0.2 -2,-0.1 -0.729 49.6-143.4 -94.0 132.1 31.1 21.2 30.3 126 305 A K 0 0 168 -2,-0.4 -1,-0.1 1,-0.2 -5,-0.1 0.729 360.0 360.0 -63.2 -29.5 29.0 24.1 28.7 127 306 A P 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -7,-0.1 0.011 360.0 360.0 -46.8 360.0 27.5 22.0 25.8 128 ! 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 0.0 129 315 A V 0 0 187 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 144.8 12.0 21.9 39.4 130 316 A S > - 0 0 69 1,-0.1 4,-2.8 0, 0.0 5,-0.3 -0.919 360.0-100.6-139.8 167.5 15.3 23.5 38.5 131 317 A L H > S+ 0 0 136 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.959 124.0 41.5 -48.6 -59.9 18.5 22.9 36.6 132 318 A F H > S+ 0 0 39 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.859 112.8 55.8 -61.4 -38.7 20.5 22.0 39.7 133 319 A G H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 110.1 43.7 -57.5 -51.8 17.5 20.0 41.1 134 320 A I H X S+ 0 0 70 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.928 113.8 51.4 -60.3 -46.0 17.3 17.7 38.0 135 321 A A H X S+ 0 0 2 -4,-2.4 4,-3.1 -5,-0.3 -2,-0.2 0.892 109.9 49.7 -57.5 -43.1 21.1 17.3 37.9 136 322 A K H X S+ 0 0 43 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.926 111.0 48.6 -63.9 -42.6 21.1 16.3 41.6 137 323 A E H X S+ 0 0 84 -4,-2.2 4,-0.8 2,-0.2 -2,-0.2 0.908 115.3 45.2 -64.0 -43.6 18.3 13.7 41.1 138 324 A Q H >X S+ 0 0 35 -4,-2.9 3,-1.0 1,-0.2 4,-1.0 0.926 111.5 52.4 -59.3 -47.7 20.2 12.4 38.0 139 325 A Y H 3X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 3,-0.4 0.867 98.8 65.9 -58.3 -36.7 23.5 12.4 39.9 140 326 A K H 3X S+ 0 0 59 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.821 94.4 58.8 -55.1 -33.4 21.8 10.4 42.7 141 327 A K H