==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 15-AUG-07 2QYU . COMPND 2 MOLECULE: SECRETED EFFECTOR PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.DIAO,J.CHEN . 620 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 429 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.1 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 37 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 36.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 2 0 2 1 4 0 3 2 0 2 0 0 3 1 1 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 2 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 PARALLEL BRIDGES PER LADDER . 0 0 1 3 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 1 0 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 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 1 163 A A 0 0 118 0, 0.0 13,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.2 -30.9 -46.4 82.0 2 164 A T + 0 0 17 31,-0.1 32,-0.3 33,-0.0 13,-0.0 0.988 360.0 93.7 57.4 86.1 -29.3 -44.5 79.1 3 165 A S + 0 0 43 32,-0.1 8,-0.1 8,-0.1 12,-0.0 0.572 40.7 161.5-162.8 -69.3 -26.8 -43.3 81.4 4 166 A S - 0 0 51 6,-0.1 10,-0.1 1,-0.1 9,-0.0 0.405 14.4-169.3 -52.8 135.1 -23.5 -44.7 82.2 5 167 A P + 0 0 115 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.001 55.9 91.3 -99.9 21.4 -20.9 -42.4 83.9 6 168 A S S S- 0 0 74 1,-0.2 33,-0.1 2,-0.1 5,-0.0 0.408 83.7 -20.7 -92.7-133.1 -17.8 -44.5 83.6 7 169 A S > - 0 0 46 1,-0.1 4,-2.0 33,-0.0 -1,-0.2 -0.069 67.3 -99.4 -69.7 171.5 -15.1 -44.5 80.9 8 170 A P H > S+ 0 0 33 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.884 125.6 57.5 -54.4 -40.2 -15.4 -43.3 77.3 9 171 A A H > S+ 0 0 61 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.907 106.7 48.2 -55.3 -44.8 -15.9 -47.0 76.3 10 172 A D H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.869 113.0 46.7 -67.1 -41.6 -18.9 -47.2 78.7 11 173 A W H X S+ 0 0 21 -4,-2.0 4,-2.2 28,-0.3 -2,-0.2 0.931 112.3 50.1 -61.8 -47.8 -20.5 -44.0 77.4 12 174 A A H X S+ 0 0 3 -4,-2.8 4,-2.1 27,-0.3 -2,-0.2 0.848 109.3 52.6 -63.4 -35.3 -19.9 -45.0 73.8 13 175 A K H X S+ 0 0 142 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.859 107.9 49.5 -68.7 -39.1 -21.5 -48.4 74.5 14 176 A K H X S+ 0 0 16 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.914 111.8 50.0 -65.4 -43.1 -24.7 -46.9 76.0 15 177 A L H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.917 109.7 49.9 -60.9 -45.1 -25.0 -44.6 73.0 16 178 A T H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 110.5 50.7 -62.9 -40.0 -24.7 -47.5 70.6 17 179 A D H X S+ 0 0 43 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.928 113.1 45.3 -59.5 -47.2 -27.3 -49.5 72.4 18 180 A A H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.890 114.1 48.2 -65.3 -41.5 -29.7 -46.6 72.3 19 181 A V H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.836 110.0 52.8 -71.5 -31.3 -29.1 -45.8 68.7 20 182 A L H X S+ 0 0 72 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.874 108.3 49.6 -70.9 -37.0 -29.5 -49.5 67.8 21 183 A R H <>S+ 0 0 83 -4,-1.9 5,-2.1 2,-0.2 4,-0.4 0.887 110.0 52.4 -64.4 -40.9 -32.9 -49.6 69.5 22 184 A Q H ><5S+ 0 0 46 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.912 109.6 48.0 -57.0 -47.8 -33.8 -46.5 67.5 23 185 A K H 3<5S+ 0 0 104 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 103.8 62.2 -62.8 -34.3 -32.8 -48.3 64.3 24 186 A A T 3<5S- 0 0 85 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.592 126.3-100.5 -69.0 -10.5 -34.9 -51.3 65.5 25 187 A G T < 5S+ 0 0 62 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.306 76.1 141.7 107.9 -6.2 -38.0 -49.0 65.3 26 188 A E < - 0 0 91 -5,-2.1 2,-0.7 -6,-0.1 -1,-0.3 -0.422 48.7-134.8 -69.6 138.6 -38.2 -48.3 69.0 27 189 A T - 0 0 138 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.882 24.0-148.6 -94.6 116.0 -39.2 -44.8 70.1 28 190 A L - 0 0 6 -2,-0.7 5,-0.0 1,-0.1 -10,-0.0 -0.651 11.2-120.6 -88.6 140.0 -36.9 -43.7 72.9 29 191 A T > - 0 0 77 -2,-0.3 4,-0.8 1,-0.1 3,-0.4 -0.264 30.5-107.4 -64.5 161.8 -38.0 -41.3 75.7 30 192 A A T 4 S+ 0 0 69 1,-0.2 3,-0.5 2,-0.2 35,-0.2 0.834 124.2 58.5 -60.0 -32.6 -36.2 -38.0 76.2 31 193 A A T >4 S+ 0 0 68 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.847 102.8 52.6 -62.4 -37.3 -34.7 -39.7 79.3 32 194 A D T 34 S+ 0 0 32 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.676 110.9 47.3 -71.1 -18.9 -33.3 -42.5 77.1 33 195 A R T 3< S+ 0 0 66 -4,-0.8 32,-3.2 -3,-0.5 2,-1.0 0.197 81.0 115.7-110.7 14.9 -31.6 -39.9 74.8 34 196 A D B < +a 65 0A 72 -3,-0.9 32,-0.1 -32,-0.3 30,-0.1 -0.753 23.6 156.5 -92.4 99.3 -30.0 -37.8 77.6 35 197 A F > + 0 0 0 30,-2.5 3,-1.8 -2,-1.0 -1,-0.1 -0.178 17.0 159.6-114.2 35.3 -26.3 -38.0 77.2 36 198 A S T 3 S+ 0 0 31 1,-0.3 32,-0.2 30,-0.1 30,-0.1 -0.327 70.6 13.2 -53.5 138.5 -25.5 -34.8 79.0 37 199 A N T 3 S+ 0 0 93 30,-2.8 -1,-0.3 1,-0.2 31,-0.1 0.543 90.2 171.1 68.8 10.1 -21.8 -34.7 80.2 38 200 A A < - 0 0 0 -3,-1.8 32,-2.5 29,-0.3 2,-0.7 -0.130 29.5-141.3 -51.7 141.6 -21.0 -37.7 78.1 39 201 A D B +i 70 0B 23 -32,-0.2 -28,-0.3 30,-0.2 -27,-0.3 -0.910 36.7 154.5-108.4 102.6 -17.3 -38.6 77.9 40 202 A F > + 0 0 0 30,-2.9 3,-1.7 -2,-0.7 31,-0.1 0.056 19.4 153.9-112.5 23.3 -16.6 -39.7 74.3 41 203 A R T 3 S- 0 0 100 1,-0.2 32,-0.2 29,-0.1 31,-0.1 -0.300 70.6 -0.8 -61.5 131.8 -12.8 -38.8 74.3 42 204 A N T 3 S+ 0 0 112 30,-1.7 2,-0.4 1,-0.2 -1,-0.2 0.549 91.1 148.3 67.9 12.5 -10.7 -40.9 71.9 43 205 A I < - 0 0 22 -3,-1.7 32,-2.9 29,-0.2 2,-0.9 -0.649 40.4-152.3 -81.0 128.2 -13.6 -43.0 70.6 44 206 A T B > -o 75 0C 51 -2,-0.4 3,-1.7 30,-0.2 4,-0.4 -0.871 10.9-166.9 -94.2 102.1 -13.5 -44.2 67.0 45 207 A F G >> S+ 0 0 3 30,-2.0 4,-1.8 -2,-0.9 3,-1.4 0.793 80.2 66.9 -64.8 -29.7 -17.3 -44.4 66.3 46 208 A S G 34 S+ 0 0 62 29,-0.4 -1,-0.3 1,-0.3 8,-0.1 0.672 99.9 53.7 -62.9 -18.0 -16.8 -46.4 63.0 47 209 A K G <4 S+ 0 0 178 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.570 116.0 35.8 -90.7 -12.0 -15.5 -49.3 65.2 48 210 A I T <4 S+ 0 0 66 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.533 106.7 70.2-120.8 -13.6 -18.5 -49.4 67.5 49 211 A L S < S- 0 0 12 -4,-1.8 5,-0.1 1,-0.1 -33,-0.0 -0.833 90.6 -97.3-106.6 147.2 -21.4 -48.6 65.2 50 212 A P > - 0 0 36 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.262 40.9-108.8 -53.3 147.0 -22.8 -50.8 62.4 51 213 A P G > S+ 0 0 98 0, 0.0 3,-2.4 0, 0.0 4,-0.5 0.805 114.4 71.6 -51.2 -33.8 -21.5 -49.9 58.9 52 214 A S G > S+ 0 0 24 1,-0.3 7,-1.7 2,-0.2 3,-0.5 0.724 87.7 64.7 -58.2 -24.0 -24.9 -48.4 58.0 53 215 A F G < S+ 0 0 4 -3,-2.1 27,-0.4 5,-0.2 -1,-0.3 0.586 107.4 39.7 -75.2 -12.8 -24.2 -45.5 60.3 54 216 A M G < S+ 0 0 37 -3,-2.4 -1,-0.2 -4,-0.2 -2,-0.2 0.338 94.5 104.0-115.9 1.9 -21.2 -44.3 58.2 55 217 A E S X S- 0 0 120 -3,-0.5 3,-1.9 -4,-0.5 2,-0.1 -0.481 85.8 -88.2 -83.5 156.1 -22.6 -44.9 54.7 56 218 A R T 3 S+ 0 0 206 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 -0.420 117.5 1.1 -54.9 131.3 -24.0 -42.3 52.3 57 219 A D T 3 S+ 0 0 139 -2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.794 108.4 133.6 52.1 31.9 -27.7 -41.9 53.1 58 220 A G < - 0 0 25 -3,-1.9 -5,-0.2 1,-0.2 -6,-0.1 0.121 60.5 -36.4 -87.9-153.1 -27.3 -44.5 55.9 59 221 A D - 0 0 45 -7,-1.7 21,-0.4 -3,-0.1 2,-0.3 -0.317 57.8-148.3 -70.7 152.4 -28.5 -44.5 59.5 60 222 A I - 0 0 52 19,-0.1 2,-0.9 -3,-0.1 21,-0.2 -0.920 17.4-124.0-127.7 149.3 -28.6 -41.3 61.6 61 223 A I E -b 81 0A 3 19,-2.5 21,-2.5 -2,-0.3 2,-0.5 -0.822 43.7-170.7 -92.7 105.0 -28.2 -40.4 65.3 62 224 A K E -b 82 0A 84 -2,-0.9 21,-0.2 19,-0.2 22,-0.1 -0.876 46.4 -4.0-116.7 125.9 -31.5 -38.6 66.0 63 225 A G S S+ 0 0 13 19,-2.4 2,-0.3 -2,-0.5 21,-0.2 0.682 78.1 150.0 83.0 23.9 -32.7 -36.5 69.0 64 226 A F - 0 0 2 18,-0.4 21,-2.3 -3,-0.2 2,-0.7 -0.626 43.0-135.4 -92.1 146.8 -29.9 -36.9 71.5 65 227 A N B +ac 34 85A 44 -32,-3.2 -30,-2.5 -2,-0.3 21,-0.1 -0.901 29.8 164.6 -97.8 114.2 -28.8 -34.5 74.2 66 228 A F > + 0 0 0 19,-3.0 3,-1.4 -2,-0.7 -30,-0.1 -0.118 18.1 164.5-115.1 31.1 -25.0 -34.2 74.3 67 229 A S T 3 S- 0 0 18 1,-0.3 -30,-2.8 21,-0.1 -29,-0.3 -0.184 70.1 -3.1 -51.5 138.8 -24.9 -30.9 76.3 68 230 A N T 3 S+ 0 0 78 19,-3.2 -1,-0.3 -32,-0.2 20,-0.1 0.804 98.5 155.1 46.8 38.1 -21.5 -30.2 77.8 69 231 A S < - 0 0 1 -3,-1.4 21,-2.4 18,-0.2 2,-0.6 -0.455 43.7-125.7 -91.1 166.5 -20.1 -33.4 76.4 70 232 A K B +ij 39 90B 76 -32,-2.5 -30,-2.9 19,-0.2 21,-0.2 -0.938 36.5 157.8-116.8 109.9 -16.4 -34.2 75.6 71 233 A F > + 0 0 0 19,-2.9 3,-2.4 -2,-0.6 -29,-0.2 0.253 27.3 152.9-107.0 7.0 -15.8 -35.5 72.0 72 234 A T T 3 S- 0 0 17 18,-0.5 -30,-1.7 1,-0.3 -29,-0.2 -0.068 71.4 -3.1 -45.9 128.6 -12.1 -34.4 72.2 73 235 A Y T 3 S+ 0 0 135 19,-1.5 -1,-0.3 -32,-0.2 21,-0.2 0.510 101.6 133.8 66.7 8.2 -9.8 -36.5 69.9 74 236 A S < - 0 0 0 -3,-2.4 21,-2.4 -32,-0.1 2,-0.6 -0.304 56.9-124.8 -83.3 170.2 -12.7 -38.7 68.8 75 237 A D B +op 44 95C 42 -32,-2.9 -30,-2.0 19,-0.2 -29,-0.4 -0.943 37.9 157.7-121.1 107.0 -13.5 -39.8 65.2 76 238 A I > + 0 0 1 19,-2.9 3,-1.5 -2,-0.6 20,-0.2 0.002 25.1 153.3-113.0 20.7 -17.1 -39.0 64.2 77 239 A S T 3 + 0 0 13 18,-0.4 21,-0.2 1,-0.2 3,-0.1 -0.238 66.2 7.9 -55.3 137.8 -16.3 -39.0 60.4 78 240 A H T 3 S+ 0 0 79 19,-2.1 -1,-0.2 1,-0.2 2,-0.2 0.616 96.0 132.1 67.7 15.6 -19.2 -39.9 58.1 79 241 A L < - 0 0 3 -3,-1.5 21,-2.4 18,-0.1 2,-0.5 -0.633 48.1-144.8 -90.9 156.5 -21.8 -39.7 60.9 80 242 A H E - d 0 100A 51 -21,-0.4 -19,-2.5 -27,-0.4 2,-0.5 -0.963 12.0-168.3-125.6 113.4 -25.1 -37.9 60.5 81 243 A F E -bd 61 101A 2 19,-2.8 21,-2.8 -2,-0.5 2,-0.4 -0.876 7.8-175.1 -99.4 127.2 -26.5 -36.2 63.7 82 244 A D E -bd 62 102A 18 -21,-2.5 -19,-2.4 -2,-0.5 -18,-0.4 -0.976 64.1 -5.8-126.5 137.2 -30.0 -34.9 63.4 83 245 A E S S+ 0 0 108 19,-1.8 2,-0.3 -2,-0.4 21,-0.2 0.848 92.7 145.9 50.2 43.9 -32.0 -32.9 66.1 84 246 A C - 0 0 1 18,-0.4 21,-2.1 -21,-0.2 2,-0.5 -0.733 46.8-132.4-106.3 157.6 -29.1 -33.2 68.7 85 247 A R B +ce 65 105A 100 -21,-2.3 -19,-3.0 -2,-0.3 21,-0.2 -0.954 29.7 163.1-110.9 121.7 -28.0 -30.7 71.3 86 248 A F > + 0 0 0 19,-3.5 3,-2.7 -2,-0.5 -17,-0.2 0.307 21.3 154.0-115.5 5.1 -24.2 -30.1 71.5 87 249 A T T 3 S+ 0 0 10 18,-0.6 -19,-3.2 1,-0.3 21,-0.2 -0.037 73.4 3.3 -43.3 126.2 -24.4 -26.9 73.6 88 250 A Y T 3 S+ 0 0 133 19,-1.9 -1,-0.3 1,-0.2 21,-0.1 0.361 98.0 142.3 77.6 -1.4 -21.2 -26.4 75.6 89 251 A S < - 0 0 0 -3,-2.7 21,-2.0 18,-0.3 2,-0.6 -0.271 50.0-128.3 -73.7 154.0 -19.5 -29.4 74.2 90 252 A T B +jk 70 110B 45 -21,-2.4 -19,-2.9 19,-0.2 -18,-0.5 -0.917 32.4 163.6-102.1 116.0 -15.8 -29.8 73.3 91 253 A L > + 0 0 1 19,-2.8 3,-1.6 -2,-0.6 -1,-0.1 -0.022 24.5 152.4-113.4 25.5 -15.1 -31.0 69.8 92 254 A S T 3 S- 0 0 34 1,-0.3 -19,-1.5 21,-0.1 21,-0.2 -0.337 72.8 -1.6 -56.7 131.0 -11.5 -29.9 69.8 93 255 A D T 3 S+ 0 0 72 19,-2.6 2,-0.4 1,-0.2 -1,-0.3 0.757 92.1 154.9 55.2 31.5 -9.3 -32.0 67.5 94 256 A V < - 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0 0 0 -5,-2.4 5,-0.2 -7,-0.4 2,-0.2 -0.563 69.2-138.8 -99.4 166.7 3.8 -45.4 43.8 542 704 A T - 0 0 44 3,-3.0 49,-0.2 -2,-0.2 -4,-0.1 -0.506 39.9 -92.1-105.7-173.6 2.2 -44.8 47.1 543 705 A E S S+ 0 0 135 1,-0.2 48,-0.8 -2,-0.2 -6,-0.1 0.825 126.7 30.0 -69.8 -30.2 3.7 -43.0 50.1 544 706 A H S S+ 0 0 141 46,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.389 120.1 52.7-111.1 2.5 5.1 -46.3 51.5 545 707 A D + 0 0 68 46,-0.1 -3,-3.0 -3,-0.1 -1,-0.2 -0.965 52.6 179.3-147.8 123.7 5.6 -48.3 48.3 546 708 A S - 0 0 22 -2,-0.3 5,-0.1 -5,-0.2 -5,-0.1 -0.963 42.3-106.3-130.8 111.4 7.6 -47.5 45.2 547 709 A P >> - 0 0 1 0, 0.0 4,-1.4 0, 0.0 3,-0.6 -0.055 26.5-146.5 -41.9 113.9 7.7 -50.1 42.3 548 710 A P H 3> S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.792 93.4 58.7 -58.8 -30.9 11.3 -51.4 42.5 549 711 A A H 3> S+ 0 0 8 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.877 106.8 47.4 -68.1 -38.7 11.6 -52.0 38.7 550 712 A L H <> S+ 0 0 0 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.830 112.5 50.0 -67.5 -36.0 10.9 -48.3 38.0 551 713 A R H X S+ 0 0 50 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.861 110.3 49.6 -71.0 -38.5 13.5 -47.2 40.7 552 714 A G H X S+ 0 0 24 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.890 111.9 48.5 -66.3 -40.2 16.2 -49.5 39.3 553 715 A Y H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.906 111.1 49.1 -69.8 -42.4 15.6 -48.2 35.8 554 716 A A H X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.866 111.3 51.7 -61.5 -37.6 15.8 -44.5 36.9 555 717 A E H X S+ 0 0 6 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.901 108.7 48.9 -65.1 -44.0 19.0 -45.3 38.8 556 718 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -58,-0.4 0.832 106.9 56.0 -68.7 -34.6 20.7 -46.9 35.8 557 719 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.913 110.4 46.0 -58.5 -43.8 19.7 -43.9 33.6 558 720 A M H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.822 110.2 54.0 -68.5 -35.4 21.5 -41.8 36.2 559 721 A Q H X S+ 0 0 44 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.896 108.0 48.6 -64.3 -45.2 24.5 -44.1 36.3 560 722 A K H X S+ 0 0 61 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.883 110.0 52.3 -64.9 -40.0 25.0 -44.0 32.5 561 723 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.933 109.2 50.3 -57.5 -47.6 24.8 -40.2 32.6 562 724 A W H < S+ 0 0 64 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.881 111.5 48.6 -58.1 -41.9 27.5 -40.3 35.3 563 725 A E H < S+ 0 0 91 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.910 114.6 45.7 -61.9 -45.3 29.6 -42.5 33.1 564 726 A L H < S- 0 0 42 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.905 137.3 -5.0 -67.9 -46.2 29.1 -40.2 30.0 565 727 A S >< + 0 0 17 -4,-2.9 3,-1.6 -5,-0.1 4,-0.3 -0.589 57.8 179.0-156.8 83.4 29.8 -36.8 31.7 566 728 A P G > S+ 0 0 64 0, 0.0 3,-1.6 0, 0.0 -4,-0.1 0.739 78.4 72.7 -61.6 -26.2 30.4 -36.7 35.5 567 729 A A G 3 S+ 0 0 92 1,-0.3 -5,-0.1 -5,-0.1 -49,-0.0 0.683 82.5 70.2 -63.2 -21.7 30.9 -33.0 35.5 568 730 A I G < S+ 0 0 17 -3,-1.6 -1,-0.3 -7,-0.2 38,-0.1 0.750 90.0 77.5 -65.5 -26.2 27.1 -32.5 34.9 569 731 A F S < S- 0 0 12 -3,-1.6 3,-0.1 -4,-0.3 0, 0.0 -0.459 83.3-132.5 -80.4 156.6 26.6 -33.7 38.5 570 732 A P S S- 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.864 78.5 -6.1 -78.5 -35.0 27.3 -31.4 41.4 571 733 A S > - 0 0 54 1,-0.1 4,-1.0 -5,-0.0 5,-0.1 -0.938 60.1-110.3-152.6 173.2 29.3 -33.9 43.4 572 734 A S H > S+ 0 0 82 -2,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.924 118.4 35.2 -70.9 -50.0 30.7 -37.4 43.9 573 735 A E H > S+ 0 0 138 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.569 106.0 68.6 -88.6 -10.0 28.6 -38.4 46.9 574 736 A Q H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.913 103.5 46.8 -66.0 -43.7 25.5 -36.4 45.7 575 737 A F H X S+ 0 0 15 -4,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.913 114.2 49.2 -56.5 -43.7 25.4 -39.1 42.9 576 738 A T H X S+ 0 0 42 -4,-1.0 4,-2.3 1,-0.2 -2,-0.2 0.901 107.8 51.8 -64.4 -45.3 25.9 -41.6 45.7 577 739 A E H X S+ 0 0 61 -4,-2.9 4,-1.3 2,-0.2 -1,-0.2 0.856 112.4 45.2 -64.2 -39.4 23.1 -40.3 48.0 578 740 A W H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.896 111.2 53.6 -67.5 -44.2 20.5 -40.3 45.2 579 741 A S H X S+ 0 0 19 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.897 107.5 52.2 -55.4 -44.1 21.6 -43.8 44.2 580 742 A D H < S+ 0 0 78 -4,-2.3 5,-0.3 1,-0.2 -1,-0.2 0.857 109.5 47.8 -61.5 -39.8 21.1 -45.0 47.8 581 743 A R H < S+ 0 0 90 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.706 107.9 55.3 -80.2 -21.0 17.6 -43.6 48.0 582 744 A F H < S+ 0 0 5 -4,-1.6 -1,-0.2 -3,-0.1 -2,-0.2 0.875 102.4 73.9 -67.4 -41.0 16.7 -45.2 44.6 583 745 A H S < S- 0 0 80 -4,-1.8 2,-0.9 -5,-0.2 5,-0.0 -0.463 77.5-139.7 -79.1 144.3 17.8 -48.5 46.1 584 746 A G + 0 0 35 -2,-0.2 -3,-0.1 1,-0.1 -1,-0.1 -0.782 23.7 172.8-103.4 85.9 15.9 -50.5 48.7 585 747 A L - 0 0 129 -2,-0.9 -1,-0.1 -5,-0.3 -4,-0.0 0.339 62.0-106.6 -69.8 7.8 18.5 -51.8 51.1 586 748 A H S S+ 0 0 179 2,-0.2 -1,-0.1 1,-0.0 -2,-0.1 0.402 113.6 86.8 74.2 1.0 15.4 -52.9 53.1 587 749 A G + 0 0 53 1,-0.1 2,-0.9 2,-0.0 -3,-0.1 0.438 66.1 83.4-103.4 -6.9 16.2 -50.0 55.5 588 750 A A + 0 0 70 1,-0.2 -2,-0.2 -5,-0.0 3,-0.1 -0.818 51.1 163.3 -98.9 92.9 14.3 -47.5 53.4 589 751 A F + 0 0 167 -2,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.931 55.3 20.7 -74.0 -48.8 10.7 -48.0 54.6 590 752 A T S S+ 0 0 87 -45,-0.1 2,-0.3 0, 0.0 -1,-0.2 -0.984 86.9 2.0-144.8 123.7 9.0 -44.8 53.4 591 753 A C + 0 0 72 -48,-0.8 -54,-0.4 -2,-0.4 -46,-0.1 -0.806 29.2 152.9 154.5 -76.8 9.0 -41.9 51.1 592 754 A T + 0 0 31 -2,-0.3 4,-0.2 1,-0.2 -1,-0.1 0.299 34.2 127.9 -52.1 98.3 10.8 -40.5 48.3 593 755 A S S > S+ 0 0 20 -57,-0.2 4,-1.6 2,-0.1 -1,-0.2 -0.010 79.3 88.0 -78.2 12.8 9.2 -38.4 45.9 594 756 A V H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.855 76.3 52.7 -78.6 -38.6 12.3 -36.7 47.4 595 757 A V H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 111.8 47.9 -61.5 -45.1 14.9 -38.1 44.9 596 758 A A H > S+ 0 0 1 -64,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.893 112.9 47.8 -62.2 -43.7 12.7 -36.8 42.1 597 759 A D H X S+ 0 0 85 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.956 114.4 45.2 -60.9 -53.3 12.3 -33.3 43.7 598 760 A S H X S+ 0 0 15 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.899 115.7 46.1 -58.4 -47.3 16.1 -33.0 44.4 599 761 A M H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.901 112.2 50.8 -63.7 -43.8 17.2 -34.2 41.0 600 762 A Q H X S+ 0 0 9 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.878 106.8 54.5 -63.4 -40.2 14.6 -31.9 39.2 601 763 A R H X S+ 0 0 144 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.873 109.1 48.7 -59.3 -39.4 15.8 -28.9 41.2 602 764 A H H X S+ 0 0 18 -4,-1.5 4,-1.9 2,-0.2 5,-0.3 0.853 109.9 52.2 -68.8 -35.8 19.4 -29.6 40.0 603 765 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 8,-0.3 0.914 107.4 50.4 -67.3 -46.3 18.2 -29.9 36.4 604 766 A R H < S+ 0 0 138 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.794 112.3 50.9 -59.9 -30.8 16.3 -26.6 36.3 605 767 A K H < S+ 0 0 142 -4,-1.1 -2,-0.2 -5,-0.2 -1,-0.2 0.935 125.9 17.0 -74.0 -49.7 19.5 -24.9 37.7 606 768 A Y H < S+ 0 0 135 -4,-1.9 -3,-0.2 1,-0.2 -2,-0.2 0.782 141.3 15.5-101.4 -33.5 22.1 -26.2 35.3 607 769 A F X + 0 0 3 -4,-2.1 4,-2.3 -5,-0.3 3,-0.3 -0.383 65.3 149.8-140.9 60.8 20.3 -27.5 32.2 608 770 A P H > S+ 0 0 63 0, 0.0 4,-1.7 0, 0.0 -4,-0.1 0.667 75.6 60.1 -70.1 -17.5 16.7 -26.1 32.4 609 771 A S H > S+ 0 0 85 2,-0.2 4,-1.1 3,-0.1 -5,-0.1 0.876 107.6 42.8 -74.5 -42.4 16.7 -26.2 28.6 610 772 A V H > S+ 0 0 6 -3,-0.3 4,-0.8 2,-0.2 3,-0.3 0.929 114.1 52.5 -68.0 -46.1 17.3 -29.9 28.4 611 773 A L H >X S+ 0 0 8 -4,-2.3 4,-2.9 -8,-0.3 3,-0.9 0.904 108.9 48.0 -56.8 -47.6 14.8 -30.6 31.2 612 774 A S H 3< S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 112.2 51.1 -65.9 -27.8 11.9 -28.6 29.6 613 775 A S H 3< S+ 0 0 43 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.564 121.2 32.3 -85.3 -9.5 12.6 -30.5 26.3 614 776 A I H << S+ 0 0 2 -3,-0.9 -2,-0.2 -4,-0.8 -3,-0.2 0.789 100.1 78.3-112.6 -48.6 12.5 -33.9 28.0 615 777 A L S < S- 0 0 5 -4,-2.9 2,-0.1 -5,-0.2 5,-0.1 -0.367 87.3-106.4 -65.7 140.3 10.0 -33.8 30.9 616 778 A P > - 0 0 3 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.480 32.8-122.7 -61.3 139.4 6.3 -34.1 30.3 617 779 A L G > S+ 0 0 96 1,-0.3 3,-2.0 2,-0.2 -149,-0.1 0.878 107.3 61.3 -57.7 -45.4 4.9 -30.6 30.8 618 780 A A G 3 S+ 0 0 51 -151,-0.5 -1,-0.3 1,-0.3 -150,-0.1 0.674 105.6 50.0 -55.0 -20.3 2.4 -31.6 33.5 619 781 A W G < 0 0 15 -3,-1.6 -1,-0.3 -152,-0.2 -2,-0.2 0.534 360.0 360.0 -96.4 -9.1 5.3 -32.8 35.7 620 782 A A < 0 0 84 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.1 0.881 360.0 360.0 -64.7 360.0 7.3 -29.6 35.3