==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-OCT-10 2XSN . COMPND 2 MOLECULE: TYROSINE 3-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.C.MUNIZ,C.D.O.COOPER,W.W.YUE,E.KRYSZTOFINSKA,F.VON DELFT . 1341 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55010.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 902 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 8 0.6 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 . 74 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 119 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 534 39.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.2 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 7 4 0 8 4 0 0 1 6 9 4 1 3 0 0 0 0 4 0 0 3 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 0 8 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 . 11 1 0 4 4 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 . 5 4 0 4 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 1 193 A M 0 0 128 0, 0.0 1343,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 127.9 66.4 15.3 51.6 2 194 A V B -a 1344 0A 15 1341,-3.9 1343,-2.7 1,-0.1 195,-0.1 -0.657 360.0-109.6 -74.8 127.1 66.1 16.1 47.9 3 195 A P - 0 0 38 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.240 38.9 -96.2 -55.4 151.0 66.5 12.8 46.0 4 196 A W + 0 0 82 1340,-0.1 192,-0.2 -3,-0.0 1340,-0.0 -0.472 49.7 175.3 -66.5 139.8 69.8 12.5 44.0 5 197 A F - 0 0 4 1340,-0.3 2,-0.1 -2,-0.2 132,-0.0 -0.976 36.9 -95.0-143.5 147.6 69.4 13.4 40.3 6 198 A P + 0 0 2 0, 0.0 3,-0.1 0, 0.0 6,-0.0 -0.398 31.4 179.8 -65.3 143.0 72.1 13.7 37.5 7 199 A R S S+ 0 0 68 1,-0.2 298,-2.4 -2,-0.1 2,-0.3 0.384 71.5 47.7-119.7 -4.7 73.5 17.2 37.0 8 200 A K B > S-B 304 0B 92 296,-0.3 3,-1.1 1,-0.1 296,-0.2 -0.964 83.9-123.1-134.2 144.8 75.9 16.2 34.1 9 201 A V G > S+ 0 0 12 294,-1.5 3,-1.7 293,-0.4 4,-0.1 0.849 113.3 60.8 -61.4 -31.8 75.0 14.1 31.0 10 202 A S G > S+ 0 0 33 1,-0.3 3,-1.6 2,-0.2 44,-0.3 0.816 90.2 70.3 -63.7 -27.9 77.9 11.6 32.0 11 203 A E G X S+ 0 0 37 -3,-1.1 3,-1.4 1,-0.3 -1,-0.3 0.492 74.7 83.5 -70.1 -1.9 76.0 11.0 35.3 12 204 A L G X S+ 0 0 1 -3,-1.7 3,-0.9 1,-0.3 -1,-0.3 0.590 72.2 77.6 -76.7 -8.2 73.3 9.1 33.2 13 205 A D G < S+ 0 0 46 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.719 93.7 49.7 -67.1 -23.6 75.7 6.1 33.6 14 206 A K G < S+ 0 0 110 -3,-1.4 2,-0.8 1,-0.2 -1,-0.2 0.449 94.5 77.3 -91.9 -8.9 74.2 5.9 37.2 15 207 A C < + 0 0 1 -3,-0.9 -1,-0.2 1,-0.2 126,-0.1 -0.612 58.3 113.7-104.7 68.2 70.6 6.0 35.8 16 208 A H + 0 0 112 -2,-0.8 2,-0.5 -3,-0.1 -1,-0.2 -0.010 28.2 140.0-127.1 21.4 70.4 2.4 34.7 17 209 A H - 0 0 104 -3,-0.1 117,-2.8 117,-0.1 2,-0.2 -0.655 38.4-155.8 -76.9 117.8 67.8 0.9 37.0 18 210 A L B -D 133 0C 63 -2,-0.5 115,-0.3 115,-0.3 2,-0.3 -0.673 10.8-127.6 -97.9 151.2 65.6 -1.5 34.9 19 211 A V - 0 0 60 113,-3.2 2,-0.6 -2,-0.2 113,-0.2 -0.679 15.3-138.9 -91.1 152.7 62.1 -2.7 35.4 20 212 A T + 0 0 102 -2,-0.3 2,-0.3 111,-0.1 3,-0.1 -0.935 47.9 136.1-118.5 96.5 61.4 -6.5 35.3 21 213 A K S S+ 0 0 117 -2,-0.6 111,-0.2 1,-0.1 -2,-0.1 -0.958 70.7 1.9-146.4 126.1 58.1 -6.9 33.3 22 214 A F S S- 0 0 40 -2,-0.3 -1,-0.1 1,-0.2 142,-0.0 0.967 84.5-180.0 52.1 59.6 57.5 -9.6 30.5 23 215 A D > - 0 0 46 1,-0.1 4,-2.8 -3,-0.1 7,-0.2 -0.800 34.8-136.5 -92.0 130.8 60.9 -11.1 31.0 24 216 A P T 4 S+ 0 0 5 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.663 105.8 43.7 -63.0 -16.4 62.0 -14.1 28.8 25 217 A D T 4 S+ 0 0 99 14,-0.0 3,-0.0 3,-0.0 14,-0.0 0.843 125.6 28.5 -90.5 -42.8 63.5 -15.9 31.9 26 218 A L T 4 S+ 0 0 134 1,-0.1 2,-0.6 2,-0.0 -6,-0.0 0.832 108.6 70.2 -88.9 -41.9 60.7 -15.2 34.5 27 219 A D >< - 0 0 48 -4,-2.8 3,-0.9 1,-0.1 6,-0.1 -0.763 53.9-171.2 -89.1 113.9 57.5 -14.9 32.3 28 220 A L T 3 S+ 0 0 128 -2,-0.6 -1,-0.1 1,-0.2 6,-0.1 0.598 87.2 64.5 -78.3 -10.9 56.5 -18.4 30.9 29 221 A D T 3 S+ 0 0 142 4,-0.1 -1,-0.2 3,-0.0 -2,-0.0 0.458 76.2 112.6 -90.1 -3.8 53.8 -16.4 28.7 30 222 A H S X S- 0 0 6 -3,-0.9 3,-1.4 -7,-0.2 4,-0.3 -0.503 74.7-130.7 -66.5 134.0 56.7 -14.7 26.8 31 223 A P T 3 S+ 0 0 51 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.800 108.1 45.7 -58.9 -29.8 56.9 -15.8 23.1 32 224 A G T > S+ 0 0 0 1,-0.2 3,-1.8 2,-0.1 7,-0.4 0.433 81.3 102.3 -91.3 -2.9 60.6 -16.5 23.5 33 225 A F T < S+ 0 0 52 -3,-1.4 -1,-0.2 1,-0.3 -4,-0.1 0.846 89.6 38.0 -48.3 -48.6 60.5 -18.3 26.9 34 226 A S T 3 S+ 0 0 114 -4,-0.3 2,-0.8 -3,-0.3 -1,-0.3 0.358 98.6 95.0 -87.0 3.3 60.9 -21.9 25.3 35 227 A D <> - 0 0 44 -3,-1.8 4,-2.3 1,-0.2 5,-0.1 -0.849 48.5-179.3-102.0 100.5 63.4 -20.5 22.7 36 228 A Q H > S+ 0 0 117 -2,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.828 85.2 52.6 -69.9 -29.8 67.0 -21.0 23.9 37 229 A V H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.937 111.5 45.4 -68.7 -48.8 68.4 -19.3 20.8 38 230 A Y H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.909 113.2 50.8 -59.8 -45.5 66.2 -16.2 21.3 39 231 A R H X S+ 0 0 46 -4,-2.3 4,-1.8 -7,-0.4 -1,-0.2 0.827 110.5 49.3 -63.1 -34.3 67.1 -16.1 25.0 40 232 A Q H X S+ 0 0 108 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.901 111.4 48.3 -71.5 -43.2 70.8 -16.3 24.2 41 233 A R H X S+ 0 0 55 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.874 110.3 52.3 -62.1 -43.7 70.6 -13.5 21.6 42 234 A R H X S+ 0 0 37 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.913 109.1 49.7 -61.0 -42.9 68.7 -11.3 24.1 43 235 A K H X S+ 0 0 118 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.907 112.0 50.0 -58.9 -45.4 71.5 -12.0 26.7 44 236 A L H X S+ 0 0 96 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.906 111.1 45.6 -60.5 -50.9 74.1 -10.9 24.1 45 237 A I H X S+ 0 0 7 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.839 110.5 55.2 -66.5 -34.2 72.4 -7.6 23.0 46 238 A A H X S+ 0 0 21 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.860 102.6 57.0 -63.7 -37.2 71.8 -6.7 26.7 47 239 A E H X S+ 0 0 88 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.822 101.4 56.4 -64.5 -34.5 75.6 -7.1 27.3 48 240 A I H X S+ 0 0 33 -4,-1.1 4,-0.7 1,-0.2 -1,-0.2 0.917 110.7 44.6 -58.9 -47.2 76.3 -4.5 24.6 49 241 A A H >< S+ 0 0 10 -4,-1.2 3,-0.5 1,-0.2 -2,-0.2 0.834 110.2 54.4 -66.3 -40.0 74.1 -2.0 26.5 50 242 A F H 3< S+ 0 0 100 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.840 105.2 54.2 -66.6 -32.6 75.7 -2.9 29.9 51 243 A Q H 3< S+ 0 0 141 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.701 86.6 110.7 -70.9 -25.1 79.2 -2.2 28.5 52 244 A Y << + 0 0 12 -4,-0.7 2,-0.3 -3,-0.5 6,-0.1 -0.321 40.8 176.4 -62.0 131.4 78.2 1.3 27.4 53 245 A R > - 0 0 135 -2,-0.1 3,-2.2 0, 0.0 -43,-0.1 -0.982 44.7 -86.9-132.3 138.2 79.6 4.4 29.2 54 246 A H T 3 S+ 0 0 59 -2,-0.3 -44,-0.1 -44,-0.3 73,-0.0 -0.153 116.7 35.0 -47.1 135.9 78.9 8.1 28.2 55 247 A G T 3 S+ 0 0 30 1,-0.4 -1,-0.2 -3,-0.0 3,-0.1 0.009 91.0 118.5 104.3 -24.6 81.4 9.2 25.5 56 248 A D S < S- 0 0 60 -3,-2.2 -1,-0.4 1,-0.1 2,-0.1 -0.390 76.1-102.0 -67.7 150.1 81.6 5.7 23.9 57 249 A P - 0 0 87 0, 0.0 -1,-0.1 0, 0.0 55,-0.0 -0.473 46.4-101.0 -68.8 144.3 80.5 5.3 20.3 58 250 A I - 0 0 10 1,-0.1 54,-0.2 -2,-0.1 2,-0.0 -0.561 46.6-116.0 -68.6 121.9 77.0 3.7 20.1 59 251 A P - 0 0 38 0, 0.0 2,-0.3 0, 0.0 52,-0.3 -0.360 21.5-131.0 -64.3 147.1 77.6 0.1 19.4 60 252 A R - 0 0 136 50,-0.1 2,-0.4 51,-0.1 50,-0.0 -0.715 13.3-148.1 -93.8 146.9 76.4 -1.5 16.1 61 253 A V - 0 0 8 -2,-0.3 2,-0.9 90,-0.0 -16,-0.0 -0.970 9.1-140.7-116.2 128.2 74.5 -4.7 16.1 62 254 A E - 0 0 182 -2,-0.4 2,-0.2 0, 0.0 -2,-0.0 -0.835 29.4-149.3 -87.9 102.5 74.7 -7.2 13.1 63 255 A Y - 0 0 23 -2,-0.9 2,-0.1 45,-0.1 45,-0.0 -0.542 8.3-121.1 -78.6 143.5 71.1 -8.3 12.8 64 256 A T > - 0 0 61 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.313 25.5-108.2 -77.1 163.7 70.1 -11.8 11.6 65 257 A A H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.877 122.8 53.3 -59.2 -38.6 68.0 -12.5 8.5 66 258 A E H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.892 109.7 48.4 -62.1 -42.9 65.1 -13.7 10.9 67 259 A E H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.872 111.7 48.1 -66.1 -41.5 65.4 -10.3 12.8 68 260 A I H X S+ 0 0 48 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.832 109.8 53.9 -68.5 -34.0 65.3 -8.3 9.5 69 261 A A H X S+ 0 0 59 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.900 108.7 48.6 -66.8 -40.0 62.3 -10.3 8.4 70 262 A T H X S+ 0 0 7 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.934 112.4 48.9 -62.5 -48.7 60.5 -9.4 11.7 71 263 A W H X S+ 0 0 0 -4,-2.1 4,-3.3 1,-0.2 -2,-0.2 0.904 109.1 53.5 -53.4 -50.9 61.4 -5.7 11.1 72 264 A K H X S+ 0 0 96 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.862 107.5 50.3 -53.5 -46.5 60.1 -5.9 7.5 73 265 A E H X S+ 0 0 101 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.948 117.1 39.7 -59.8 -52.5 56.7 -7.2 8.7 74 266 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.912 118.2 48.1 -61.7 -51.4 56.2 -4.4 11.3 75 267 A Y H X S+ 0 0 5 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.938 113.9 45.3 -55.2 -57.1 57.7 -1.6 9.0 76 268 A T H X S+ 0 0 65 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.892 114.3 47.1 -55.3 -53.4 55.6 -2.5 5.9 77 269 A T H X S+ 0 0 33 -4,-1.9 4,-0.7 -5,-0.2 3,-0.3 0.908 116.8 42.1 -60.4 -49.5 52.2 -2.9 7.7 78 270 A L H >X S+ 0 0 0 -4,-2.0 4,-1.4 1,-0.2 3,-1.2 0.913 106.5 61.9 -66.2 -44.5 52.5 0.3 9.7 79 271 A K H 3X S+ 0 0 86 -4,-2.6 4,-0.7 1,-0.3 -1,-0.2 0.814 102.0 53.7 -52.6 -36.2 53.9 2.4 6.8 80 272 A G H 3< S+ 0 0 60 -4,-1.2 4,-0.3 -3,-0.3 -1,-0.3 0.823 110.6 46.1 -67.3 -33.1 50.6 1.7 4.9 81 273 A L H > - 0 0 0 139,-1.8 4,-1.9 -2,-0.2 3,-1.1 -0.389 31.6-106.4 -74.4 154.5 50.4 13.3 12.3 88 280 A G H 3> S+ 0 0 30 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.775 116.7 57.3 -49.0 -40.4 52.3 15.6 9.9 89 281 A E H 3> S+ 0 0 46 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.785 108.8 45.8 -65.5 -35.0 55.4 15.8 12.2 90 282 A H H <> S+ 0 0 0 -3,-1.1 4,-3.3 2,-0.2 -2,-0.2 0.926 113.5 48.6 -74.1 -48.0 55.9 12.0 12.2 91 283 A L H X S+ 0 0 62 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.893 112.3 48.9 -56.6 -46.3 55.3 11.7 8.4 92 284 A E H X S+ 0 0 137 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.872 117.1 41.1 -61.6 -44.5 57.8 14.5 7.6 93 285 A A H X S+ 0 0 5 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.881 110.9 56.7 -72.8 -42.5 60.5 13.0 9.9 94 286 A F H X S+ 0 0 6 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.900 107.1 49.6 -55.2 -45.7 59.8 9.4 8.7 95 287 A A H X S+ 0 0 54 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.841 111.9 48.7 -62.2 -37.6 60.5 10.5 5.1 96 288 A L H X S+ 0 0 39 -4,-1.0 4,-1.8 2,-0.2 5,-0.3 0.781 110.6 50.0 -74.7 -30.9 63.8 12.2 6.2 97 289 A L H X>S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 6,-1.2 0.875 106.7 55.8 -74.0 -37.6 64.9 9.1 8.2 98 290 A E H <5S+ 0 0 65 -4,-2.1 4,-0.2 1,-0.2 -2,-0.2 0.893 116.6 37.0 -57.9 -39.6 64.2 6.9 5.1 99 291 A R H <5S+ 0 0 183 -4,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.732 134.5 20.2 -88.7 -24.9 66.5 9.1 3.1 100 292 A F H <5S+ 0 0 107 -4,-1.8 -3,-0.2 -5,-0.1 -2,-0.2 0.707 123.6 42.9-120.3 -25.5 69.2 9.8 5.8 101 293 A S T <5S- 0 0 4 -4,-2.5 9,-0.3 -5,-0.3 -3,-0.2 0.299 107.2-104.4-108.2 11.3 69.2 7.2 8.6 102 294 A G < + 0 0 18 -5,-0.5 2,-0.8 -4,-0.2 -4,-0.2 0.815 57.0 165.3 72.8 33.2 68.7 4.0 6.6 103 295 A Y + 0 0 2 -6,-1.2 2,-0.3 -9,-0.1 -1,-0.2 -0.769 20.9 129.9 -82.5 107.0 65.0 3.4 7.3 104 296 A R B > -I 107 0E 119 3,-0.9 3,-1.6 -2,-0.8 -29,-0.1 -0.962 68.9-105.5-157.1 155.3 63.9 0.8 4.8 105 297 A E T 3 S+ 0 0 86 -2,-0.3 -30,-0.1 1,-0.3 -29,-0.1 0.783 117.0 48.2 -57.2 -33.2 62.0 -2.6 4.8 106 298 A D T 3 S+ 0 0 91 -35,-0.1 2,-0.3 1,-0.1 -1,-0.3 0.165 109.8 58.4 -95.5 15.7 65.2 -4.8 4.3 107 299 A N B < -I 104 0E 51 -3,-1.6 -3,-0.9 -39,-0.1 -1,-0.1 -0.957 66.6-142.9-152.3 130.3 67.3 -3.0 6.9 108 300 A I - 0 0 3 -2,-0.3 -45,-0.1 -5,-0.1 -5,-0.1 -0.800 39.2-120.7 -86.6 120.7 67.1 -2.4 10.7 109 301 A P - 0 0 2 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.286 19.6-120.9 -67.2 151.9 68.6 1.1 11.3 110 302 A Q >> - 0 0 27 -9,-0.3 4,-1.7 1,-0.1 3,-0.8 -0.765 11.0-133.0 -94.0 135.5 71.6 1.6 13.6 111 303 A L H 3> S+ 0 0 2 -2,-0.4 4,-2.6 -52,-0.3 15,-0.2 0.725 104.7 63.6 -59.5 -25.7 71.3 3.9 16.7 112 304 A E H 3> S+ 0 0 28 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.912 108.4 41.9 -64.4 -40.3 74.6 5.6 15.8 113 305 A D H <> S+ 0 0 64 -3,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.848 115.6 48.4 -73.2 -41.7 73.0 6.9 12.6 114 306 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.896 109.9 52.1 -68.6 -41.9 69.7 7.8 14.2 115 307 A S H X S+ 0 0 9 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.893 109.0 50.3 -63.7 -39.2 71.4 9.7 17.1 116 308 A R H X S+ 0 0 94 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.880 110.5 50.9 -66.2 -37.4 73.4 11.8 14.6 117 309 A F H X S+ 0 0 6 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.956 113.6 43.6 -61.5 -53.2 70.2 12.6 12.7 118 310 A L H X>S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-1.2 0.836 109.0 57.3 -65.0 -37.8 68.4 13.7 15.9 119 311 A K H X5S+ 0 0 51 -4,-2.5 4,-1.1 4,-0.3 -1,-0.2 0.948 109.6 44.6 -57.5 -50.5 71.4 15.7 17.2 120 312 A E H <5S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.680 121.3 40.8 -63.9 -29.1 71.4 17.8 14.0 121 313 A R H <5S- 0 0 72 -4,-1.0 -2,-0.2 -3,-0.3 -3,-0.2 0.908 140.3 -9.0 -89.8 -57.2 67.6 18.3 14.1 122 314 A T H <5S- 0 0 3 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.360 89.8-104.6-128.7 3.9 66.6 18.9 17.7 123 315 A G S < - 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0 0 0 -2,-0.4 -20,-0.1 -22,-0.2 20,-0.1 -0.411 5.1-165.0 -80.0 154.2 66.8 -0.8 23.1 151 343 A Q + 0 0 2 -22,-0.4 -1,-0.1 -2,-0.1 15,-0.1 0.509 57.5 97.1-114.8 -12.3 68.6 -2.7 20.3 152 344 A Y - 0 0 9 13,-0.2 15,-2.6 -22,-0.1 2,-0.3 -0.333 63.0-135.8 -77.7 164.4 66.8 -6.1 20.6 153 345 A I - 0 0 3 13,-0.2 3,-0.1 14,-0.1 -2,-0.1 -0.933 23.6 -98.2-127.3 143.2 63.9 -7.2 18.4 154 346 A R - 0 0 15 -2,-0.3 -84,-0.1 1,-0.1 -1,-0.1 -0.068 55.8 -78.4 -50.6 153.8 60.6 -9.0 19.4 155 347 A H > - 0 0 23 1,-0.1 3,-0.8 3,-0.1 -1,-0.1 -0.288 37.5-124.7 -57.8 140.3 60.3 -12.8 18.9 156 348 A A T 3 S+ 0 0 38 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.658 105.7 66.5 -64.1 -19.4 59.7 -13.8 15.2 157 349 A S T 3 S+ 0 0 82 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.816 108.6 34.4 -72.5 -36.0 56.5 -15.7 16.3 158 350 A S < + 0 0 38 -3,-0.8 -1,-0.3 1,-0.1 -3,-0.1 -0.733 68.7 148.5-120.1 77.0 54.5 -12.6 17.4 159 351 A P S S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.856 71.6 52.4 -81.0 -32.1 55.6 -9.7 15.0 160 352 A M S S+ 0 0 68 1,-0.1 2,-0.4 74,-0.1 76,-0.4 0.645 115.3 41.1 -79.5 -13.3 52.3 -7.7 15.0 161 353 A H + 0 0 103 73,-0.1 -1,-0.1 74,-0.1 73,-0.1 -0.996 56.7 158.6-139.5 131.8 52.2 -7.6 18.9 162 354 A S - 0 0 23 -2,-0.4 4,-0.1 -8,-0.1 -8,-0.0 -0.915 21.8-165.9-148.5 117.2 54.9 -7.0 21.5 163 355 A P S S+ 0 0 59 0, 0.0 -1,-0.1 0, 0.0 -141,-0.0 0.637 76.5 75.2 -79.0 -10.4 54.2 -5.7 25.0 164 356 A E S S- 0 0 15 -142,-0.0 2,-1.5 1,-0.0 5,-0.2 -0.712 92.7-110.7 -99.7 149.5 58.0 -4.9 25.4 165 357 A P + 0 0 21 0, 0.0 -15,-0.2 0, 0.0 -13,-0.2 -0.604 50.0 165.9 -85.6 89.8 59.8 -1.9 23.8 166 358 A D > - 0 0 0 -2,-1.5 4,-2.0 -4,-0.1 -13,-0.2 -0.123 55.8 -80.5 -85.5-169.3 62.0 -3.5 21.2 167 359 A C H > S+ 0 0 1 -15,-2.6 4,-2.5 2,-0.2 5,-0.3 0.757 128.5 56.4 -64.5 -35.4 63.8 -1.7 18.3 168 360 A C H > S+ 0 0 0 -16,-0.2 4,-2.1 2,-0.2 5,-0.5 0.937 110.1 46.2 -65.1 -44.5 60.7 -1.6 16.1 169 361 A H H >>S+ 0 0 21 3,-0.2 4,-1.6 -5,-0.2 5,-0.9 0.888 117.3 42.9 -61.5 -48.7 58.8 0.2 18.9 170 362 A E H X>S+ 0 0 12 -4,-2.0 5,-1.9 3,-0.2 4,-0.7 0.921 120.5 38.3 -66.0 -51.1 61.7 2.7 19.6 171 363 A L H <5S+ 0 0 0 -4,-2.5 -2,-0.2 3,-0.2 -3,-0.2 0.855 126.7 33.6 -75.4 -35.5 62.6 3.5 16.0 172 364 A L H <5S+ 0 0 0 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.2 0.813 131.2 29.2 -89.2 -37.3 59.1 3.6 14.5 173 365 A G H <5S+ 0 0 1 -4,-1.6 4,-0.4 -5,-0.5 -3,-0.2 0.896 129.9 26.1 -88.6 -51.2 57.2 5.0 17.4 174 366 A H T X>4 S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.881 108.0 49.9 -55.9 -39.2 60.3 10.4 14.2 177 369 A M H >4 S+ 0 0 2 -4,-0.4 3,-1.9 1,-0.3 7,-0.2 0.825 100.4 64.1 -66.5 -30.8 58.5 12.7 16.7 178 370 A L H << S+ 0 0 6 -4,-0.8 -54,-0.3 -3,-0.8 -1,-0.3 0.615 89.1 69.8 -70.0 -10.6 61.8 13.6 18.5 179 371 A A T << S+ 0 0 20 -3,-1.3 2,-0.5 -4,-0.5 -1,-0.3 0.523 81.8 91.4 -81.8 -8.1 62.9 15.2 15.1 180 372 A D S <> S- 0 0 39 -3,-1.9 4,-2.7 -4,-0.1 5,-0.2 -0.798 73.6-144.2 -92.3 127.3 60.2 18.0 15.8 181 373 A R H > S+ 0 0 96 -2,-0.5 4,-1.6 2,-0.2 -1,-0.1 0.883 99.7 44.0 -53.1 -49.0 61.6 21.0 17.8 182 374 A T H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.940 115.7 46.4 -67.1 -49.9 58.3 21.6 19.7 183 375 A F H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.845 111.0 53.5 -62.9 -36.7 57.8 17.9 20.6 184 376 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 -7,-0.2 -1,-0.2 0.865 110.4 48.2 -63.8 -36.0 61.6 17.6 21.6 185 377 A Q H X S+ 0 0 32 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.898 109.8 51.9 -71.2 -40.6 61.0 20.5 24.0 186 378 A F H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.920 110.7 47.8 -60.7 -47.0 57.8 18.9 25.4 187 379 A S H X S+ 0 0 1 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.867 114.1 46.3 -63.7 -39.1 59.7 15.6 26.1 188 380 A Q H X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.896 108.4 57.0 -69.1 -40.4 62.6 17.5 27.8 189 381 A D H X S+ 0 0 38 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.887 106.3 48.9 -58.3 -42.7 60.1 19.6 29.8 190 382 A I H X S+ 0 0 0 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.911 114.4 47.9 -62.3 -42.4 58.5 16.4 31.3 191 383 A G H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 3,-0.5 0.890 110.3 49.2 -64.8 -43.8 62.0 15.2 32.1 192 384 A L H < S+ 0 0 19 -4,-3.0 3,-0.2 1,-0.2 -1,-0.2 0.844 106.4 57.8 -66.4 -33.6 63.1 18.5 33.7 193 385 A A H < S+ 0 0 4 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.792 105.0 52.7 -65.8 -30.0 59.9 18.5 35.9 194 386 A S H >< S+ 0 0 2 -4,-1.0 3,-2.8 -3,-0.5 -1,-0.2 0.802 75.7 116.6 -78.1 -33.3 60.9 15.1 37.3 195 387 A L T 3< S- 0 0 3 -4,-1.1 -190,-0.1 1,-0.3 -191,-0.0 -0.184 97.8 -9.5 -48.9 114.9 64.4 16.0 38.5 196 388 A G T 3 S+ 0 0 8 1,-0.2 -1,-0.3 -192,-0.2 2,-0.1 0.610 101.7 141.5 71.9 16.0 64.5 15.6 42.3 197 389 A A < - 0 0 2 -3,-2.8 -1,-0.2 1,-0.1 95,-0.1 -0.419 56.7 -92.1 -83.1 164.9 60.7 15.3 42.5 198 390 A S > - 0 0 58 93,-0.3 4,-1.8 -2,-0.1 -1,-0.1 -0.206 33.9-109.6 -68.7 166.0 58.9 12.9 44.9 199 391 A D H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.892 121.4 57.1 -65.8 -35.9 57.9 9.4 44.0 200 392 A E H > S+ 0 0 151 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 109.0 45.3 -60.2 -44.3 54.2 10.6 43.9 201 393 A E H > S+ 0 0 23 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.825 109.9 54.9 -67.8 -34.3 55.2 13.2 41.4 202 394 A I H X S+ 0 0 11 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.893 107.3 50.5 -67.3 -38.9 57.2 10.7 39.3 203 395 A E H X S+ 0 0 145 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.921 112.1 47.8 -64.3 -42.6 54.1 8.4 39.1 204 396 A K H X S+ 0 0 40 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.916 114.1 44.6 -63.1 -48.8 52.0 11.5 37.9 205 397 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.762 111.3 55.8 -67.0 -29.2 54.6 12.6 35.2 206 398 A S H X S+ 0 0 33 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.870 110.7 43.8 -68.8 -40.5 54.9 8.9 34.2 207 399 A T H X S+ 0 0 13 -4,-1.8 4,-1.8 50,-0.2 -2,-0.2 0.881 111.7 53.3 -73.2 -38.8 51.1 8.7 33.6 208 400 A L H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.906 108.3 50.9 -60.4 -43.9 51.2 12.1 31.8 209 401 A Y H <>S+ 0 0 19 -4,-2.0 5,-2.1 1,-0.2 3,-0.5 0.851 107.5 54.3 -58.7 -42.8 53.9 10.7 29.5 210 402 A W H <>S+ 0 0 41 -4,-1.4 5,-1.7 1,-0.2 -1,-0.2 0.887 111.2 43.5 -60.5 -44.1 51.7 7.7 28.8 211 403 A F H <5S+ 0 0 1 -4,-1.8 60,-0.5 3,-0.2 6,-0.3 0.515 129.7 25.7 -84.9 -4.6 48.7 9.8 27.7 212 404 A T T X5S+ 0 0 0 -4,-0.7 4,-1.9 -3,-0.5 -3,-0.2 0.671 130.6 25.4-115.8 -80.7 51.0 12.2 25.6 213 405 A V T 45S+ 0 0 5 -4,-0.5 16,-3.0 1,-0.2 -3,-0.2 0.800 134.3 33.9 -61.9 -33.3 54.3 10.7 24.3 214 406 A E T 4 S-F 223 0D 37 3,-3.4 3,-1.6 -2,-0.6 55,-0.1 -0.953 70.4 -27.9-123.1 106.7 45.7 18.8 12.7 221 413 A N T 3 S- 0 0 162 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.952 126.1 -47.0 51.3 58.1 43.6 21.0 10.3 222 414 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.352 122.4 105.6 68.8 -4.0 40.2 20.0 12.0 223 415 A E E < S- F 0 220D 111 -3,-1.6 -3,-3.4 0, 0.0 2,-0.5 -0.782 70.7-125.0-107.1 150.8 41.3 16.2 11.9 224 416 A V E + F 0 219D 55 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.863 34.9 177.8 -97.9 121.8 42.4 14.0 14.8 225 417 A K E - F 0 218D 29 -7,-2.7 -7,-2.3 -2,-0.5 2,-0.4 -0.784 28.1-111.2-119.8 161.9 45.8 12.3 14.1 226 418 A A E +eF 86 217D 0 -141,-2.5 -139,-1.8 -2,-0.3 -9,-0.2 -0.808 37.2 158.3 -97.2 135.7 48.1 10.0 16.2 227 419 A Y + 0 0 3 -11,-2.1 -10,-0.2 -2,-0.4 -1,-0.1 0.488 40.8 114.0-125.7 -14.1 51.4 11.1 17.7 228 420 A G >> - 0 0 0 -12,-1.9 4,-2.5 1,-0.1 3,-0.8 -0.339 64.3-137.6 -63.1 137.3 51.8 8.6 20.5 229 421 A A H 3> S+ 0 0 2 -16,-3.0 4,-0.7 1,-0.2 -15,-0.2 0.734 103.6 56.8 -69.5 -28.8 54.7 6.1 20.2 230 422 A G H 34 S+ 0 0 8 -16,-2.7 -1,-0.2 2,-0.2 7,-0.2 0.632 114.1 41.6 -74.4 -18.2 52.6 3.1 21.4 231 423 A L H X4 S+ 0 0 0 -3,-0.8 3,-1.8 -17,-0.7 7,-0.4 0.881 112.0 49.9 -93.3 -52.1 50.1 3.9 18.6 232 424 A L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.603 114.9 48.2 -67.2 -11.1 52.6 4.7 15.7 233 425 A S T 3< S+ 0 0 9 -4,-0.7 2,-0.4 -5,-0.2 -1,-0.3 0.297 105.2 66.8-108.7 4.7 54.4 1.3 16.6 234 426 A S <> - 0 0 20 -3,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.971 58.9-162.7-132.7 116.0 51.2 -0.9 16.8 235 427 A Y H > S+ 0 0 86 -2,-0.4 4,-1.5 -75,-0.3 5,-0.1 0.924 94.2 49.3 -57.1 -49.0 49.0 -1.6 13.7 236 428 A G H > S+ 0 0 19 -76,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.885 115.5 39.8 -59.2 -48.4 46.0 -2.7 15.9 237 429 A E H > S+ 0 0 14 2,-0.2 4,-2.5 -7,-0.2 -1,-0.2 0.740 108.1 61.6 -80.4 -23.0 46.0 0.4 18.2 238 430 A L H X S+ 0 0 0 -4,-2.0 4,-0.7 -7,-0.4 -1,-0.2 0.901 111.4 40.9 -66.8 -37.2 46.7 2.9 15.4 239 431 A L H >< S+ 0 0 71 -4,-1.5 3,-0.5 -5,-0.2 4,-0.4 0.922 116.2 50.3 -70.2 -47.2 43.4 1.7 13.7 240 432 A H H >< S+ 0 0 41 -4,-1.8 3,-1.2 1,-0.2 5,-0.2 0.862 102.4 59.4 -58.4 -47.7 41.5 1.6 17.1 241 433 A C H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.778 111.3 40.0 -60.2 -30.7 42.6 5.1 18.3 242 434 A L T << S+ 0 0 54 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.427 100.7 94.8-100.7 2.8 41.0 6.9 15.3 243 435 A S S < S- 0 0 51 -3,-1.2 -3,-0.1 -4,-0.4 -4,-0.0 -0.160 91.0-106.2 -81.0 177.8 37.8 4.6 15.2 244 436 A E S S+ 0 0 108 1,-0.2 -1,-0.1 3,-0.0 -3,-0.1 0.548 103.6 83.0 -84.8 -8.3 34.5 5.4 17.0 245 437 A E S S+ 0 0 78 -5,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.890 77.5 69.5 -64.7 -49.6 35.2 2.8 19.8 246 438 A P S S- 0 0 13 0, 0.0 2,-0.7 0, 0.0 23,-0.2 -0.324 81.2-117.4 -79.3 162.8 37.5 4.9 22.2 247 439 A E E -h 269 0D 97 21,-3.1 23,-1.9 -2,-0.0 2,-0.5 -0.854 29.2-158.7 -95.8 107.4 36.6 8.0 24.4 248 440 A I E -h 270 0D 68 -2,-0.7 2,-0.3 21,-0.2 23,-0.2 -0.813 12.5-176.3 -94.7 123.3 38.6 11.0 23.2 249 441 A R E -h 271 0D 83 21,-2.7 23,-3.0 -2,-0.5 2,-0.1 -0.820 33.2 -96.2-114.4 154.9 39.0 13.8 25.9 250 442 A A E -h 272 0D 75 -2,-0.3 2,-0.4 21,-0.2 23,-0.2 -0.402 52.2 -96.4 -67.7 144.5 40.7 17.3 25.6 251 443 A F + 0 0 10 21,-2.6 23,-0.1 20,-0.1 -1,-0.1 -0.556 52.7 161.6 -72.8 125.1 44.3 17.4 26.8 252 444 A D > - 0 0 72 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.954 32.8-146.7-139.4 117.1 44.6 18.6 30.4 253 445 A P H > S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.882 100.2 48.5 -56.9 -39.4 47.9 17.7 32.3 254 446 A E H > S+ 0 0 59 2,-0.2 4,-0.8 1,-0.2 5,-0.1 0.898 114.3 45.7 -67.0 -41.0 46.2 17.3 35.7 255 447 A A H 4 S+ 0 0 40 1,-0.2 3,-0.4 2,-0.2 4,-0.4 0.905 115.4 46.5 -65.9 -45.9 43.4 15.0 34.2 256 448 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 -2,-0.2 0.873 108.1 56.1 -64.4 -42.6 45.9 12.9 32.2 257 449 A A H 3< S+ 0 0 5 -4,-2.2 -50,-0.2 1,-0.2 -1,-0.2 0.688 115.2 37.6 -63.6 -27.1 48.4 12.5 35.2 258 450 A V T 3< S+ 0 0 89 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.346 88.8 117.0-107.5 0.5 45.6 11.0 37.5 259 451 A Q < - 0 0 35 -3,-0.9 2,-0.1 -4,-0.4 -48,-0.1 -0.583 65.4-126.8 -74.9 124.0 43.9 8.9 34.8 260 452 A P + 0 0 100 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.402 36.1 173.5 -71.1 150.6 44.0 5.1 35.5 261 453 A Y - 0 0 92 -2,-0.1 2,-0.3 6,-0.1 6,-0.0 -0.949 22.9-151.0-150.3 169.6 45.4 2.8 32.7 262 454 A Q - 0 0 68 -2,-0.3 0, 0.0 3,-0.1 0, 0.0 -0.906 13.5-145.6-138.5 160.7 46.5 -0.8 31.8 263 455 A D S S+ 0 0 69 -2,-0.3 3,-0.1 4,-0.0 4,-0.1 0.097 81.9 76.2-117.0 18.7 49.1 -2.2 29.3 264 456 A Q S S+ 0 0 147 2,-0.1 2,-0.1 1,-0.0 3,-0.1 0.925 98.1 19.9 -95.8 -62.4 47.2 -5.4 28.2 265 457 A T S S- 0 0 101 1,-0.2 -3,-0.1 0, 0.0 3,-0.1 -0.294 102.8 -66.3 -97.0-177.3 44.4 -4.3 25.7 266 458 A Y - 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0 0 42 -3,-1.8 4,-2.4 1,-0.2 5,-0.1 -0.846 48.6-178.1-100.3 99.9 10.2 66.0 33.4 372 228 B Q H > S+ 0 0 120 -2,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.820 84.6 52.5 -68.8 -30.6 11.5 69.5 32.3 373 229 B V H > S+ 0 0 105 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.940 111.7 45.1 -68.5 -49.4 13.7 69.8 35.5 374 230 B Y H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.918 114.3 49.6 -59.1 -46.9 15.4 66.3 34.8 375 231 B R H X S+ 0 0 52 -4,-2.4 4,-1.8 -7,-0.4 -1,-0.2 0.809 110.8 49.7 -63.2 -34.1 15.8 67.2 31.1 376 232 B Q H X S+ 0 0 132 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.896 111.3 48.6 -70.6 -44.6 17.4 70.6 32.0 377 233 B R H X S+ 0 0 53 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.869 109.8 52.7 -60.8 -44.2 19.8 68.9 34.5 378 234 B R H X S+ 0 0 39 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.922 109.2 49.2 -61.2 -42.9 20.8 66.3 31.9 379 235 B K H X S+ 0 0 143 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.912 112.3 49.6 -59.0 -46.4 21.6 69.1 29.3 380 236 B L H X S+ 0 0 97 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.914 111.5 45.8 -60.1 -50.8 23.7 70.9 32.0 381 237 B I H X S+ 0 0 7 -4,-2.5 4,-1.2 1,-0.2 3,-0.2 0.850 111.0 54.0 -66.5 -35.5 25.8 67.8 33.0 382 238 B A H X S+ 0 0 22 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.860 103.6 56.1 -64.3 -38.0 26.4 66.9 29.3 383 239 B E H X S+ 0 0 94 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.822 102.0 56.4 -64.5 -34.4 27.8 70.4 28.7 384 240 B I H X S+ 0 0 36 -4,-1.1 4,-0.6 -3,-0.2 -1,-0.2 0.899 110.5 45.8 -58.5 -46.0 30.4 69.8 31.5 385 241 B A H >< S+ 0 0 10 -4,-1.2 3,-0.5 1,-0.2 -2,-0.2 0.844 110.4 52.2 -66.5 -41.4 31.5 66.7 29.5 386 242 B F H 3< S+ 0 0 100 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 108.0 52.0 -67.8 -32.6 31.6 68.5 26.1 387 243 B Q H 3< S+ 0 0 141 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.658 87.6 111.1 -73.8 -21.7 33.8 71.3 27.6 388 244 B Y << - 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0 0 3 -2,-0.3 -45,-0.1 -5,-0.1 -5,-0.1 -0.790 38.6-119.9 -88.1 123.4 27.5 60.3 45.4 445 301 B P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 -7,-0.1 -0.306 20.7-120.3 -66.0 151.6 31.3 60.0 44.8 446 302 B Q > - 0 0 23 -9,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.762 12.2-132.1 -94.2 136.8 33.1 62.6 42.6 447 303 B L H > S+ 0 0 1 -2,-0.4 4,-2.7 -52,-0.3 15,-0.2 0.772 105.1 58.7 -58.1 -33.9 35.0 61.4 39.4 448 304 B E H > S+ 0 0 32 -54,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 108.6 45.5 -62.9 -42.4 38.2 63.3 40.3 449 305 B D H > S+ 0 0 59 -3,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.875 115.6 46.4 -65.2 -42.1 38.5 61.4 43.7 450 306 B V H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.867 110.0 53.5 -68.8 -42.5 37.7 58.0 42.0 451 307 B S H X S+ 0 0 13 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.907 108.8 49.6 -62.5 -39.6 40.3 58.8 39.1 452 308 B R H X S+ 0 0 94 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.862 111.9 49.5 -67.4 -36.1 43.0 59.5 41.7 453 309 B F H X S+ 0 0 6 -4,-1.4 4,-1.2 2,-0.2 -2,-0.2 0.961 113.7 43.8 -63.3 -57.0 42.1 56.2 43.5 454 310 B L H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-1.0 0.826 110.1 57.3 -58.9 -38.9 42.2 54.1 40.3 455 311 B K H X5S+ 0 0 45 -4,-2.4 4,-1.2 4,-0.3 -1,-0.2 0.940 109.3 44.5 -57.8 -51.5 45.5 55.9 39.1 456 312 B E H <5S+ 0 0 73 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.709 120.4 41.7 -63.4 -31.6 47.4 54.8 42.3 457 313 B R H <5S- 0 0 80 -4,-1.2 -2,-0.2 3,-0.2 -1,-0.2 0.930 140.4 -9.8 -85.6 -54.9 46.0 51.2 42.1 458 314 B T H <5S- 0 0 2 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.312 90.1-103.9-132.8 1.7 46.2 50.2 38.4 459 315 B G S < - 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0 0 100 -3,-0.1 103,-2.9 103,-0.1 2,-0.3 -0.649 37.9-152.9 -77.0 117.5 62.6 69.3 53.8 691 210 C L B -W 792 0N 59 -2,-0.5 101,-0.3 101,-0.3 -2,-0.1 -0.696 21.3-122.8 -96.1 144.7 64.4 72.4 52.7 692 211 C V 0 0 67 99,-3.1 100,-0.1 -2,-0.3 -1,-0.1 0.745 360.0 360.0 -56.2 -28.9 68.2 73.0 53.3 693 212 C T 0 0 136 98,-0.4 -1,-0.1 0, 0.0 98,-0.0 -1.000 360.0 360.0-142.6 360.0 67.5 76.3 55.4 694 ! 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 0.0 695 228 C Q > 0 0 110 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -35.2 61.2 94.7 51.4 696 229 C V H > + 0 0 121 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.936 360.0 45.4 -67.3 -48.9 59.3 94.5 48.0 697 230 C Y H > S+ 0 0 54 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 113.7 50.0 -60.3 -45.8 61.6 91.6 46.7 698 231 C R H > S+ 0 0 205 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.809 110.7 49.8 -63.2 -33.9 61.3 89.8 50.1 699 232 C Q H X S+ 0 0 147 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.891 111.2 48.5 -71.0 -43.0 57.5 90.1 50.0 700 233 C R H X S+ 0 0 54 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.872 110.2 52.1 -62.6 -43.0 57.3 88.7 46.4 701 234 C R H X S+ 0 0 66 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.910 108.7 50.3 -63.1 -40.8 59.6 85.8 47.4 702 235 C K H X S+ 0 0 55 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.897 111.0 50.8 -61.2 -42.7 57.2 85.0 50.3 703 236 C L H X S+ 0 0 106 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.907 111.9 44.0 -61.7 -49.5 54.2 85.1 47.9 704 237 C I H X S+ 0 0 6 -4,-2.3 4,-1.1 1,-0.2 3,-0.2 0.835 111.4 55.2 -68.9 -33.5 55.8 82.7 45.3 705 238 C A H X S+ 0 0 20 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.847 101.5 58.9 -66.1 -34.3 57.0 80.3 48.1 706 239 C E H X S+ 0 0 115 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.827 99.5 57.0 -64.2 -35.0 53.3 80.1 49.4 707 240 C I H X S+ 0 0 35 -4,-0.9 4,-0.7 -3,-0.2 -1,-0.2 0.907 110.2 45.3 -58.5 -45.5 52.3 78.7 46.0 708 241 C A H < S+ 0 0 13 -4,-1.1 3,-0.5 1,-0.2 -2,-0.2 0.866 111.8 50.6 -66.1 -43.5 54.8 75.9 46.5 709 242 C F H < S+ 0 0 102 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.829 110.4 49.9 -66.9 -34.9 53.8 75.2 50.2 710 243 C Q H < S+ 0 0 148 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.643 89.0 110.6 -74.1 -21.8 50.1 75.0 49.2 711 244 C Y < - 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0 0 1 -2,-0.4 -20,-0.1 15,-0.3 20,-0.1 -0.497 4.4-160.7 -83.6 156.5 97.2 19.9 15.7 1153 343 D Q + 0 0 3 -22,-0.4 -1,-0.1 -2,-0.2 -21,-0.1 0.497 61.1 96.1-113.5 -11.6 98.7 16.6 17.0 1154 344 D Y - 0 0 6 13,-0.1 15,-2.8 -22,-0.1 2,-0.3 -0.328 64.6-136.1 -75.9 165.6 102.3 16.9 15.7 1155 345 D I - 0 0 3 13,-0.2 3,-0.1 14,-0.1 -2,-0.1 -0.940 23.1 -98.7-127.7 145.2 105.1 18.3 17.8 1156 346 D R - 0 0 14 -2,-0.3 -84,-0.1 1,-0.1 8,-0.1 -0.070 56.8 -78.0 -52.4 155.6 107.9 20.7 17.0 1157 347 D H > - 0 0 22 1,-0.1 3,-0.9 3,-0.1 -1,-0.1 -0.294 36.8-123.8 -61.1 143.4 111.4 19.4 16.0 1158 348 D A T 3 S+ 0 0 40 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.1 0.636 105.9 65.0 -63.4 -20.7 113.6 18.2 19.0 1159 349 D S T 3 S+ 0 0 80 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.802 109.4 35.2 -74.5 -33.1 116.4 20.6 18.0 1160 350 D S < + 0 0 34 -3,-0.9 -1,-0.3 1,-0.1 3,-0.2 -0.713 66.4 149.9-122.8 75.6 114.4 23.8 18.8 1161 351 D P S S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.754 73.9 53.4 -78.1 -24.6 112.1 23.0 21.8 1162 352 D M S S+ 0 0 75 1,-0.2 76,-0.4 74,-0.1 2,-0.3 0.558 114.1 40.4 -87.5 -10.3 112.1 26.6 23.1 1163 353 D H + 0 0 101 -3,-0.2 -1,-0.2 73,-0.1 73,-0.1 -0.984 55.0 159.9-144.4 132.3 111.0 28.2 19.7 1164 354 D S - 0 0 25 -2,-0.3 4,-0.1 -3,-0.1 -132,-0.0 -0.932 21.6-163.6-147.9 118.2 108.4 27.0 17.1 1165 355 D P S S+ 0 0 57 0, 0.0 -141,-0.0 0, 0.0 -1,-0.0 0.616 77.7 70.9 -78.8 -10.8 106.8 29.4 14.5 1166 356 D E S S- 0 0 10 -142,-0.1 2,-1.9 -33,-0.0 5,-0.2 -0.728 96.7-106.2-102.7 153.5 104.1 26.8 13.8 1167 357 D P + 0 0 20 0, 0.0 -15,-0.3 0, 0.0 -13,-0.1 -0.530 51.0 173.7 -82.8 81.6 101.2 25.9 16.1 1168 358 D D > - 0 0 0 -2,-1.9 4,-1.7 -4,-0.1 -13,-0.2 -0.113 52.0 -88.3 -74.8 179.9 102.5 22.4 17.2 1169 359 D C H > S+ 0 0 1 -15,-2.8 4,-3.0 1,-0.2 5,-0.4 0.821 128.3 60.1 -62.1 -32.7 100.6 20.4 20.0 1170 360 D C H >>S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.6 0.941 107.8 45.7 -57.7 -47.6 102.8 22.2 22.7 1171 361 D H H >>S+ 0 0 22 3,-0.2 4,-1.3 -3,-0.2 5,-1.2 0.879 117.0 44.2 -59.6 -47.3 101.3 25.5 21.5 1172 362 D E H X>S+ 0 0 7 -4,-1.7 5,-2.7 3,-0.2 4,-0.6 0.961 121.9 35.2 -65.9 -54.6 97.7 24.2 21.4 1173 363 D L H <5S+ 0 0 0 -4,-3.0 -2,-0.2 3,-0.2 -3,-0.2 0.870 128.2 33.9 -74.4 -39.7 97.7 22.3 24.7 1174 364 D L H <5S+ 0 0 0 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.845 132.1 28.1 -85.8 -34.3 99.9 24.6 26.8 1175 365 D G H <44 S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.893 109.1 49.8 -58.8 -38.5 93.6 26.3 29.3 1179 369 D M G >4 S+ 0 0 1 -4,-0.5 3,-1.5 -3,-0.3 6,-0.2 0.841 103.6 60.8 -66.4 -31.1 92.0 29.6 28.4 1180 370 D L G << S+ 0 0 4 -4,-1.3 -54,-0.3 -3,-0.7 -1,-0.3 0.395 88.9 71.9 -75.5 -1.1 89.1 27.8 26.5 1181 371 D A G < S+ 0 0 21 -3,-1.5 2,-0.4 -4,-0.3 -1,-0.3 0.487 82.0 89.3 -89.0 -5.4 88.1 26.1 29.9 1182 372 D D S <> S- 0 0 37 -3,-1.5 4,-2.6 -4,-0.2 5,-0.2 -0.812 74.0-145.0 -94.3 127.7 86.8 29.6 31.0 1183 373 D R H > S+ 0 0 94 -2,-0.4 4,-2.0 2,-0.2 -1,-0.1 0.886 99.8 46.9 -58.5 -44.5 83.1 30.4 30.1 1184 374 D T H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 115.6 44.6 -64.5 -49.8 83.8 34.1 29.4 1185 375 D F H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.845 111.9 52.8 -63.7 -37.5 86.9 33.5 27.3 1186 376 D A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.918 109.8 49.5 -63.3 -39.3 85.1 30.7 25.4 1187 377 D Q H X S+ 0 0 38 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.895 110.3 50.1 -65.5 -41.1 82.3 33.1 24.7 1188 378 D F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.914 111.4 48.6 -61.1 -47.1 84.8 35.8 23.4 1189 379 D S H X S+ 0 0 1 -4,-2.4 4,-1.7 1,-0.2 3,-0.2 0.948 114.1 45.6 -59.5 -49.3 86.5 33.2 21.1 1190 380 D Q H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.870 108.9 57.1 -62.6 -38.4 83.0 32.1 19.8 1191 381 D D H X S+ 0 0 38 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.882 106.8 47.5 -62.0 -40.9 82.0 35.8 19.3 1192 382 D I H X S+ 0 0 0 -4,-2.0 4,-1.1 -3,-0.2 -1,-0.2 0.908 114.1 50.4 -63.3 -42.7 85.1 36.5 17.1 1193 383 D G H >X S+ 0 0 0 -4,-1.7 4,-0.7 1,-0.2 3,-0.5 0.913 110.7 46.3 -58.7 -49.4 84.1 33.3 15.2 1194 384 D L H >< S+ 0 0 23 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.837 108.3 56.5 -64.7 -38.2 80.4 34.3 14.7 1195 385 D A H 3< S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.763 104.0 55.3 -63.9 -29.4 81.4 37.9 13.6 1196 386 D S H X< S+ 0 0 2 -4,-1.1 3,-2.4 -3,-0.5 -1,-0.2 0.686 76.3 116.6 -77.1 -26.0 83.6 36.4 10.8 1197 387 D L T << S- 0 0 1 -4,-0.7 -190,-0.1 -3,-0.6 -191,-0.0 -0.321 97.4 -11.2 -57.7 114.0 80.7 34.3 9.2 1198 388 D G T 3 S+ 0 0 7 1,-0.2 -1,-0.3 -192,-0.2 2,-0.1 0.578 99.7 144.8 70.6 17.1 80.1 35.6 5.7 1199 389 D A < - 0 0 2 -3,-2.4 -1,-0.2 1,-0.1 95,-0.1 -0.435 55.4 -95.2 -80.0 157.6 82.3 38.7 6.2 1200 390 D S > - 0 0 42 93,-0.3 4,-2.1 -2,-0.1 5,-0.1 -0.192 33.2-109.1 -64.4 165.6 84.5 40.2 3.4 1201 391 D D H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.890 122.3 55.0 -64.6 -35.5 88.2 39.2 3.1 1202 392 D E H > S+ 0 0 147 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 109.8 45.7 -63.6 -41.7 89.1 42.8 4.3 1203 393 D E H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.829 110.2 53.9 -70.5 -35.7 86.9 42.3 7.4 1204 394 D I H X S+ 0 0 8 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.902 107.0 52.0 -64.3 -41.7 88.5 38.7 8.0 1205 395 D E H X S+ 0 0 147 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.911 112.1 46.2 -59.3 -43.0 92.0 40.3 7.9 1206 396 D K H X S+ 0 0 18 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.929 115.4 45.7 -64.3 -46.6 90.8 42.9 10.5 1207 397 D L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.833 111.5 52.5 -68.5 -31.6 89.2 40.1 12.7 1208 398 D S H X S+ 0 0 31 -4,-2.9 4,-1.7 2,-0.2 -1,-0.2 0.882 111.5 45.9 -68.7 -40.5 92.4 37.9 12.2 1209 399 D T H X S+ 0 0 13 -4,-1.9 4,-1.7 50,-0.2 -2,-0.2 0.816 110.9 53.6 -69.4 -37.0 94.6 40.8 13.5 1210 400 D L H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.922 109.5 48.6 -61.9 -44.4 92.1 41.4 16.4 1211 401 D Y H ><>S+ 0 0 17 -4,-2.1 5,-2.1 1,-0.2 3,-1.3 0.868 108.0 55.2 -59.9 -44.4 92.5 37.6 17.3 1212 402 D W H 3<>S+ 0 0 42 -4,-1.7 5,-1.3 1,-0.3 -1,-0.2 0.871 111.3 43.5 -59.0 -40.4 96.4 38.0 17.1 1213 403 D F T 3<5S+ 0 0 3 -4,-1.7 60,-0.3 3,-0.2 6,-0.3 0.212 128.7 26.1 -96.5 18.4 96.3 40.9 19.6 1214 404 D T T <>5S+ 0 0 0 -3,-1.3 4,-2.2 4,-0.2 15,-0.2 0.358 130.5 23.6-133.4 -85.2 93.8 39.2 22.0 1215 405 D V T 45S+ 0 0 4 -4,-0.3 16,-2.9 1,-0.2 -3,-0.2 0.790 134.8 36.6 -60.4 -33.0 93.6 35.3 22.0 1216 406 D E T 4 S-H 1225 0T 49 3,-2.9 3,-1.5 -2,-0.6 55,-0.1 -0.955 72.5 -26.8-120.5 105.4 94.0 41.1 37.2 1223 413 D N T 3 S- 0 0 110 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.980 126.3 -47.8 50.6 65.2 93.6 43.0 40.5 1224 414 D G T 3 S+ 0 0 85 -3,-0.1 -1,-0.3 1,-0.1 2,-0.2 0.262 122.5 103.1 65.8 -13.3 95.6 46.1 39.3 1225 415 D E E < S- H 01222T 45 -3,-1.5 -3,-2.9 -2,-0.3 2,-0.5 -0.622 72.6-119.7 -98.4 157.8 98.5 43.8 37.9 1226 416 D V E + H 01221T 59 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.888 35.3 176.4-103.4 121.4 99.1 42.8 34.2 1227 417 D K E - 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