==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-JUL-07 2QLU . COMPND 2 MOLECULE: ACTIVIN RECEPTOR TYPE IIB; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.HAN . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 199 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 47 15.8 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 23 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 0 0 1 1 0 0 0 2 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 1 188 A G 0 0 108 0, 0.0 21,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.0 35.0 27.5 0.4 2 189 A S + 0 0 64 2,-0.0 2,-0.6 0, 0.0 19,-0.1 0.315 360.0 120.3-103.3 6.9 38.1 29.6 0.6 3 190 A L - 0 0 33 19,-0.1 2,-0.5 17,-0.1 19,-0.2 -0.474 45.2-179.8 -64.7 116.8 36.7 30.0 4.0 4 191 A Q E -A 21 0A 113 17,-2.2 17,-3.3 -2,-0.6 2,-0.1 -0.978 21.7-137.7-123.1 113.1 39.4 28.6 6.1 5 192 A L E +A 20 0A 58 -2,-0.5 15,-0.2 15,-0.3 3,-0.1 -0.473 26.4 172.8 -67.3 143.7 38.8 28.5 10.0 6 193 A L E - 0 0 69 13,-2.5 2,-0.3 1,-0.3 14,-0.2 0.721 49.6 -19.3-123.4 -66.0 41.9 29.7 12.0 7 194 A E E -A 19 0A 94 12,-1.2 12,-2.7 0, 0.0 2,-0.4 -0.987 63.0 -96.0-150.6 154.8 41.3 30.1 15.7 8 195 A I E +A 18 0A 63 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.656 37.7 170.5 -73.4 126.7 38.6 30.5 18.3 9 196 A K E + 0 0 86 8,-2.7 2,-0.4 -2,-0.4 9,-0.2 0.828 64.0 10.3-101.6 -44.5 38.1 34.2 19.2 10 197 A A E -A 17 0A 38 7,-1.5 7,-3.0 74,-0.0 2,-1.0 -1.000 55.3-142.7-138.5 137.1 34.9 34.2 21.4 11 198 A R - 0 0 164 -2,-0.4 5,-0.2 5,-0.2 7,-0.0 -0.840 38.1-167.3 -94.1 93.1 32.8 31.6 23.0 12 199 A G - 0 0 20 -2,-1.0 140,-0.0 3,-0.4 126,-0.0 0.080 30.1 -96.1 -65.5-171.1 29.4 33.3 22.4 13 200 A R S S+ 0 0 112 1,-0.1 3,-0.0 3,-0.0 -1,-0.0 0.950 113.1 6.5 -80.1 -54.0 26.1 32.2 24.0 14 201 A F S S+ 0 0 63 22,-0.1 2,-0.3 25,-0.1 -1,-0.1 0.144 137.0 26.9-113.2 9.4 24.4 29.9 21.5 15 202 A G S S- 0 0 10 17,-0.2 -3,-0.4 24,-0.0 2,-0.4 -0.898 73.7-119.6-164.6 176.4 27.3 29.8 19.0 16 203 A C E - B 0 31A 36 15,-1.1 15,-2.6 -2,-0.3 2,-0.5 -0.998 21.1-134.6-146.5 130.3 31.1 30.1 18.9 17 204 A V E -AB 10 30A 29 -7,-3.0 -8,-2.7 -2,-0.4 -7,-1.5 -0.791 19.5-170.8-101.2 122.3 33.2 32.7 17.0 18 205 A W E -AB 8 29A 69 11,-2.3 11,-2.5 -2,-0.5 2,-0.4 -0.911 26.3-125.7-104.1 133.5 36.1 31.7 15.0 19 206 A K E +AB 7 28A 27 -12,-2.7 -13,-2.5 -2,-0.4 -12,-1.2 -0.669 45.4 178.5 -61.2 134.5 38.6 33.9 13.3 20 207 A A E -AB 5 27A 0 7,-2.3 7,-2.3 -2,-0.4 2,-0.4 -0.922 27.4-122.8-142.2 164.9 38.6 32.7 9.7 21 208 A Q E +AB 4 26A 57 -17,-3.3 -17,-2.2 -2,-0.3 2,-0.4 -0.898 24.6 175.6-113.5 131.4 40.2 33.5 6.3 22 209 A L E > - B 0 25A 56 3,-3.5 3,-2.0 -2,-0.4 2,-0.1 -0.950 63.7 -44.2-137.8 117.8 38.3 34.4 3.2 23 210 A M T 3 S- 0 0 135 -2,-0.4 0, 0.0 1,-0.2 0, 0.0 -0.433 122.9 -24.7 57.4-133.2 40.1 35.4 0.1 24 211 A N T 3 S+ 0 0 138 -2,-0.1 2,-0.2 -3,-0.1 -1,-0.2 0.225 129.9 58.7 -97.8 20.4 42.8 37.9 1.2 25 212 A D E < S-B 22 0A 116 -3,-2.0 -3,-3.5 0, 0.0 2,-0.3 -0.789 80.8-101.5-139.6 174.2 41.1 39.0 4.3 26 213 A F E -B 21 0A 91 -5,-0.2 54,-0.6 -2,-0.2 2,-0.3 -0.755 28.6-178.6-105.2 151.7 39.7 37.8 7.6 27 214 A V E -BC 20 79A 8 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.911 28.2-118.7-139.6 156.0 36.0 37.2 8.5 28 215 A A E -BC 19 78A 8 50,-2.4 50,-2.4 -2,-0.3 2,-0.6 -0.911 26.4-162.1 -99.0 135.1 34.3 36.1 11.8 29 216 A V E -BC 18 77A 0 -11,-2.5 -11,-2.3 -2,-0.4 2,-0.6 -0.950 2.1-161.9-120.7 115.8 32.5 32.8 11.6 30 217 A K E -BC 17 76A 13 46,-2.3 46,-1.8 -2,-0.6 2,-0.5 -0.857 8.5-157.2 -99.6 126.8 30.0 32.0 14.2 31 218 A I E -BC 16 75A 18 -15,-2.6 -15,-1.1 -2,-0.6 44,-0.2 -0.870 4.8-164.9-110.0 123.7 29.1 28.3 14.4 32 219 A F E - C 0 74A 1 42,-3.1 42,-1.7 -2,-0.5 -17,-0.2 -0.853 23.6-123.0-104.0 131.8 25.8 27.2 15.9 33 220 A P > - 0 0 52 0, 0.0 3,-2.1 0, 0.0 40,-0.1 -0.448 38.7-100.9 -64.2 159.0 25.3 23.7 16.8 34 221 A L G > S+ 0 0 81 38,-0.4 3,-1.2 1,-0.3 4,-0.1 0.761 121.7 62.9 -56.5 -25.9 22.2 22.3 15.1 35 222 A Q G 3 S+ 0 0 153 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.688 100.1 56.8 -68.4 -15.4 20.0 22.7 18.3 36 223 A D G X> + 0 0 35 -3,-2.1 4,-1.4 1,-0.2 3,-1.0 0.086 68.3 120.0-103.7 23.8 20.6 26.4 18.1 37 224 A K H <> S+ 0 0 74 -3,-1.2 4,-2.7 1,-0.3 5,-0.2 0.842 72.0 57.5 -52.8 -35.6 19.2 26.8 14.6 38 225 A Q H 3> S+ 0 0 124 -3,-0.3 4,-2.1 1,-0.3 -1,-0.3 0.800 104.0 50.3 -80.5 -20.0 16.7 29.1 15.9 39 226 A S H <> S+ 0 0 17 -3,-1.0 4,-2.1 2,-0.2 -1,-0.3 0.788 112.0 49.0 -74.1 -30.2 19.3 31.5 17.2 40 227 A W H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.857 113.8 45.7 -75.6 -38.4 21.0 31.4 13.8 41 228 A Q H X S+ 0 0 33 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.923 113.8 49.0 -73.0 -44.4 17.8 32.1 12.1 42 229 A S H X S+ 0 0 47 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.978 113.5 46.7 -49.2 -58.7 16.9 34.9 14.5 43 230 A E H X S+ 0 0 5 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.904 112.5 49.0 -58.5 -40.2 20.3 36.4 14.1 44 231 A R H X S+ 0 0 79 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.871 109.4 53.1 -69.6 -36.6 20.2 36.2 10.2 45 232 A E H X S+ 0 0 86 -4,-2.2 4,-0.5 2,-0.2 3,-0.2 0.935 109.1 48.6 -61.8 -49.6 16.7 37.8 10.1 46 233 A I H >< S+ 0 0 8 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.965 112.2 48.4 -50.9 -53.4 17.8 40.7 12.1 47 234 A F H 3< S+ 0 0 15 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.788 109.0 56.0 -58.7 -28.8 21.0 41.2 9.9 48 235 A S H 3< S+ 0 0 79 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.450 81.6 113.7 -85.8 -3.5 18.7 41.0 6.8 49 236 A T S X< S- 0 0 4 -3,-1.9 3,-1.3 -4,-0.5 78,-0.1 -0.422 80.7 -88.4 -65.5 142.3 16.4 43.8 7.9 50 237 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 72,-0.1 -0.055 107.8 16.0 -50.3 144.9 16.4 47.0 5.8 51 238 A G T 3 S+ 0 0 4 71,-0.2 76,-0.1 1,-0.1 -3,-0.1 0.560 77.0 128.9 68.9 20.9 18.9 49.6 6.6 52 239 A M < + 0 0 9 -3,-1.3 2,-1.0 -5,-0.2 5,-0.1 0.560 41.5 106.7 -90.4 -6.9 21.3 47.4 8.9 53 240 A K + 0 0 152 6,-0.1 2,-0.3 3,-0.0 5,-0.1 -0.576 51.7 144.7 -60.6 91.1 24.3 48.6 6.8 54 241 A H B > -E 57 0B 24 -2,-1.0 3,-2.5 3,-0.5 -2,-0.0 -0.979 61.2-125.5-148.0 148.9 25.7 51.0 9.4 55 242 A E T 3 S+ 0 0 112 -2,-0.3 4,-0.1 1,-0.3 -1,-0.1 0.759 110.9 42.3 -67.6 -25.4 29.1 52.0 10.4 56 243 A N T 3 S+ 0 0 0 93,-0.1 94,-2.3 2,-0.1 2,-0.4 0.328 100.0 78.9-111.7 18.5 28.5 51.1 14.1 57 244 A L B < S-Ef 54 150B 2 -3,-2.5 -3,-0.5 92,-0.3 94,-0.2 -0.984 92.9 -97.0-120.0 141.6 26.6 47.8 13.7 58 245 A L - 0 0 12 92,-3.2 2,-0.4 -2,-0.4 -2,-0.1 -0.079 44.3-121.0 -55.0 138.4 28.4 44.6 12.9 59 246 A Q - 0 0 62 -4,-0.1 20,-1.8 -6,-0.1 2,-0.2 -0.713 17.6-138.4 -94.7 135.2 28.4 43.8 9.3 60 247 A F E +D 78 0A 61 -2,-0.4 18,-0.2 18,-0.2 3,-0.1 -0.554 25.8 166.9 -92.0 134.4 26.8 40.7 7.8 61 248 A I E - 0 0 90 16,-2.8 2,-0.3 1,-0.3 17,-0.2 0.726 59.9 -24.7-108.1 -55.7 28.4 38.7 5.0 62 249 A A E -D 77 0A 26 15,-1.8 15,-3.3 2,-0.0 2,-0.4 -0.994 36.7-143.5-161.8 154.0 26.6 35.3 4.7 63 250 A A E -D 76 0A 24 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.998 25.6-167.8-121.6 126.7 24.6 32.6 6.5 64 251 A E E -D 75 0A 84 11,-2.2 11,-2.6 -2,-0.4 2,-1.4 -0.988 22.0-152.7-125.0 122.5 25.4 29.0 5.4 65 252 A K E -D 74 0A 110 -2,-0.4 2,-2.6 9,-0.2 9,-0.2 -0.714 25.2-153.6 -83.6 73.6 23.3 25.8 6.2 66 253 A R E -D 73 0A 96 -2,-1.4 7,-1.1 7,-1.3 2,-0.2 -0.335 49.7 -51.8 -60.4 71.5 26.4 23.6 6.0 67 254 A G - 0 0 53 -2,-2.6 2,-0.2 5,-0.2 3,-0.1 -0.626 64.9 -57.2 120.8-158.9 24.6 20.3 5.0 68 255 A S S >> S- 0 0 78 1,-0.2 4,-2.1 -2,-0.2 3,-1.8 -0.492 81.7 -5.2-123.9-171.9 21.7 17.7 5.8 69 256 A N T 34 S- 0 0 131 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.223 124.0 -18.9 -37.0 124.8 20.7 15.4 8.6 70 257 A L T 34 S+ 0 0 168 1,-0.2 -1,-0.2 -3,-0.1 -36,-0.1 0.319 129.9 71.6 65.0 -5.0 22.9 15.3 11.8 71 258 A E T <4 S+ 0 0 163 -3,-1.8 -2,-0.2 2,-0.0 -1,-0.2 0.756 71.1 117.9-102.6 -38.4 25.8 16.7 9.8 72 259 A V < + 0 0 19 -4,-2.1 -38,-0.4 -7,-0.1 2,-0.3 0.081 37.4 179.3 -24.1 115.4 24.3 20.2 9.6 73 260 A E E - D 0 66A 82 -7,-1.1 -7,-1.3 -40,-0.1 2,-0.6 -0.935 23.3-134.4-116.6 158.7 26.2 23.1 11.2 74 261 A L E -CD 32 65A 0 -42,-1.7 -42,-3.1 -2,-0.3 2,-0.4 -0.951 22.8-170.3-117.5 113.9 24.9 26.7 11.0 75 262 A W E -CD 31 64A 25 -11,-2.6 -11,-2.2 -2,-0.6 2,-0.4 -0.854 10.7-170.4-107.6 137.8 27.5 29.3 10.0 76 263 A L E -CD 30 63A 3 -46,-1.8 -46,-2.3 -2,-0.4 2,-0.5 -0.963 12.8-158.3-126.6 113.6 27.0 33.0 10.2 77 264 A I E +CD 29 62A 3 -15,-3.3 -16,-2.8 -2,-0.4 -15,-1.8 -0.815 22.8 156.4-102.1 121.2 29.8 35.0 8.5 78 265 A T E -CD 28 60A 9 -50,-2.4 -50,-2.4 -2,-0.5 -18,-0.2 -0.727 49.0 -66.5-127.1-175.2 30.3 38.6 9.6 79 266 A A E -C 27 0A 26 -20,-1.8 2,-0.4 -2,-0.3 -52,-0.2 -0.415 48.3-125.4 -73.8 156.1 33.2 41.1 9.5 80 267 A F - 0 0 33 -54,-0.6 2,-0.6 -2,-0.1 -54,-0.1 -0.876 15.5-161.9-112.3 137.1 36.1 40.4 11.7 81 268 A H > - 0 0 38 -2,-0.4 3,-2.3 1,-0.1 61,-0.2 -0.911 3.3-163.8-123.8 97.2 37.3 43.0 14.2 82 269 A D T 3 S+ 0 0 115 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.815 85.3 63.7 -56.9 -36.4 40.8 42.1 15.2 83 270 A K T 3 S- 0 0 88 59,-0.4 -1,-0.3 1,-0.2 2,-0.1 0.733 96.2-158.1 -67.4 -22.2 40.8 44.4 18.2 84 271 A G < - 0 0 25 -3,-2.3 58,-2.2 58,-0.3 -1,-0.2 -0.453 31.7 -13.9 91.2-155.1 38.0 42.3 19.6 85 272 A S B > -G 141 0B 11 56,-0.2 4,-2.1 -2,-0.1 56,-0.2 -0.493 52.8-120.5 -94.4 161.9 35.4 43.2 22.3 86 273 A L H > S+ 0 0 2 54,-2.3 4,-2.9 51,-0.9 5,-0.3 0.835 109.2 57.5 -63.9 -44.7 35.2 46.1 24.7 87 274 A T H > S+ 0 0 18 50,-1.2 4,-1.8 53,-0.3 -1,-0.2 0.977 112.6 39.6 -57.9 -50.6 35.2 43.9 27.8 88 275 A D H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.901 115.0 54.6 -67.0 -35.0 38.5 42.2 26.9 89 276 A Y H X S+ 0 0 34 -4,-2.1 4,-1.6 1,-0.2 3,-0.4 0.964 110.6 44.6 -59.9 -52.6 39.9 45.6 25.7 90 277 A L H < S+ 0 0 0 -4,-2.9 133,-0.3 1,-0.2 -1,-0.2 0.808 107.2 63.1 -56.2 -29.9 39.0 47.2 29.0 91 278 A K H < S+ 0 0 138 -4,-1.8 132,-0.4 -5,-0.3 -1,-0.2 0.949 118.5 23.2 -68.1 -38.8 40.5 44.1 30.7 92 279 A G H < S+ 0 0 58 -4,-1.8 2,-0.4 -3,-0.4 -1,-0.2 0.417 119.1 53.5-108.5 1.6 43.9 44.8 29.3 93 280 A N < - 0 0 67 -4,-1.6 2,-0.5 -5,-0.1 -1,-0.1 -0.999 58.6-145.0-138.9 146.9 44.0 48.6 28.5 94 281 A I - 0 0 80 -2,-0.4 119,-0.2 119,-0.0 2,-0.2 -0.885 34.5-139.6-100.8 130.4 43.4 51.8 30.3 95 282 A I B -i 213 0C 3 117,-2.3 119,-2.9 -2,-0.5 2,-0.1 -0.561 4.3-117.7-103.5 151.7 41.9 54.4 27.9 96 283 A T > - 0 0 72 -2,-0.2 4,-3.2 117,-0.2 5,-0.2 -0.329 32.3-109.1 -75.0 161.7 42.4 58.1 27.2 97 284 A W H > S+ 0 0 50 117,-0.3 4,-2.5 1,-0.2 5,-0.3 0.959 122.2 51.4 -60.7 -46.6 39.6 60.6 27.7 98 285 A N H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.865 111.1 48.0 -59.1 -32.1 39.4 61.1 23.9 99 286 A E H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.951 111.2 50.0 -73.3 -47.1 39.1 57.3 23.4 100 287 A L H X S+ 0 0 0 -4,-3.2 4,-3.1 1,-0.2 5,-0.3 0.930 112.1 48.2 -51.5 -51.5 36.4 57.0 26.1 101 288 A C H X S+ 0 0 3 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.907 112.9 48.0 -59.6 -39.0 34.5 59.8 24.4 102 289 A H H X S+ 0 0 54 -4,-1.9 4,-2.2 -5,-0.3 46,-0.4 0.928 115.4 42.9 -69.6 -44.3 34.9 58.1 21.0 103 290 A V H X S+ 0 0 3 -4,-3.0 4,-1.9 2,-0.2 5,-0.2 0.899 116.6 50.0 -69.0 -38.1 33.8 54.6 22.2 104 291 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.3 5,-0.3 0.935 114.9 41.8 -67.0 -47.8 31.0 56.2 24.2 105 292 A E H X S+ 0 0 36 -4,-2.6 4,-2.0 -5,-0.3 -2,-0.2 0.883 118.6 43.6 -68.7 -39.0 29.6 58.3 21.4 106 293 A T H X S+ 0 0 14 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.835 113.4 52.8 -74.8 -30.6 30.0 55.6 18.6 107 294 A M H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.897 114.9 41.0 -71.7 -42.8 28.5 53.0 21.0 108 295 A S H X S+ 0 0 0 -4,-2.1 4,-3.3 -5,-0.2 5,-0.4 0.880 112.8 55.6 -74.6 -29.6 25.4 55.2 21.7 109 296 A R H X S+ 0 0 89 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.967 109.2 44.9 -59.3 -50.1 25.3 56.2 18.1 110 297 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.906 117.9 46.6 -65.3 -42.8 25.1 52.4 17.0 111 298 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.953 111.4 48.3 -61.7 -52.7 22.5 51.8 19.8 112 299 A S H X S+ 0 0 24 -4,-3.3 4,-0.9 172,-0.3 -2,-0.2 0.906 113.8 50.0 -51.4 -40.0 20.4 54.9 19.0 113 300 A Y H >< S+ 0 0 35 -4,-2.3 3,-0.6 -5,-0.4 -2,-0.2 0.936 109.6 47.5 -73.0 -35.7 20.5 53.8 15.5 114 301 A L H 3< S+ 0 0 0 -4,-2.5 16,-2.1 1,-0.2 -1,-0.2 0.916 114.0 50.6 -57.9 -54.7 19.4 50.1 16.3 115 302 A H H 3< S+ 0 0 12 -4,-2.8 2,-0.4 14,-0.2 -1,-0.2 0.614 94.8 101.7 -51.1 -21.5 16.7 51.7 18.4 116 303 A E << - 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0 0 57 3,-0.1 4,-2.1 4,-0.1 3,-1.1 0.283 30.9 -80.0 -94.2-178.2 21.8 34.4 40.5 237 424 A L H 3> S+ 0 0 29 1,-0.3 4,-1.5 2,-0.2 5,-0.1 0.793 123.7 55.9 -39.0 -35.9 18.4 36.0 39.9 238 425 A E H 3> S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.890 107.9 41.6 -76.6 -41.9 17.9 36.0 43.6 239 426 A E H <> S+ 0 0 64 -3,-1.1 4,-2.5 2,-0.2 5,-0.3 0.843 114.3 51.4 -74.0 -38.1 21.1 38.1 44.7 240 427 A L H X>S+ 0 0 3 -4,-2.1 4,-3.8 2,-0.2 5,-0.7 0.924 106.2 57.3 -59.7 -40.6 20.8 40.6 41.9 241 428 A Q H X>S+ 0 0 44 -4,-1.5 5,-2.6 -5,-0.4 4,-0.7 0.888 110.5 43.8 -60.3 -43.5 17.1 41.0 43.0 242 429 A E H <>S+ 0 0 99 -4,-1.5 5,-3.6 3,-0.2 6,-0.4 0.984 122.8 34.5 -57.6 -60.6 18.4 41.9 46.5 243 430 A V H <5S+ 0 0 10 -4,-2.5 6,-2.5 3,-0.2 -2,-0.2 0.891 129.2 32.3 -70.4 -43.0 21.2 44.3 45.4 244 431 A V H <5S+ 0 0 1 -4,-3.8 -3,-0.2 -5,-0.3 -1,-0.1 0.948 131.7 21.1 -84.2 -51.2 19.6 45.8 42.3 245 432 A V T <> - 0 0 78 -2,-0.6 3,-0.9 1,-0.1 4,-0.8 -0.517 4.0-132.7 -76.8 132.1 34.3 57.0 42.9 255 442 A D G >4 S+ 0 0 136 1,-0.2 3,-1.4 -2,-0.2 4,-0.2 0.911 106.2 53.5 -40.0 -55.7 34.5 60.4 44.6 256 443 A H G >4 S+ 0 0 60 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.750 97.7 66.1 -63.7 -19.9 37.8 61.4 43.0 257 444 A W G X4 S+ 0 0 19 -3,-0.9 3,-1.5 1,-0.2 -1,-0.3 0.874 91.4 65.4 -65.4 -33.4 36.3 60.6 39.5 258 445 A L G << S+ 0 0 88 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.508 83.9 73.2 -66.0 -10.2 33.9 63.6 40.1 259 446 A K G < S+ 0 0 175 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.1 0.322 81.2 81.3 -89.6 3.9 36.9 66.1 40.1 260 447 A H S <> S- 0 0 34 -3,-1.5 4,-3.0 1,-0.1 3,-0.3 -0.967 76.8-146.1-105.8 117.9 37.2 65.7 36.3 261 448 A P H > S+ 0 0 94 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.845 97.9 47.9 -56.3 -37.4 34.6 67.9 34.6 262 449 A G H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.876 115.5 43.0 -60.8 -46.9 34.1 65.4 31.7 263 450 A L H > S+ 0 0 0 -3,-0.3 4,-2.1 -6,-0.2 -1,-0.2 0.802 108.7 58.8 -75.5 -37.4 33.7 62.3 34.0 264 451 A A H X S+ 0 0 27 -4,-3.0 4,-1.6 -7,-0.2 -1,-0.2 0.918 112.0 40.6 -51.3 -44.5 31.5 64.2 36.4 265 452 A Q H X S+ 0 0 74 -4,-1.4 4,-1.6 -5,-0.2 -2,-0.2 0.887 112.2 54.1 -79.7 -40.3 29.0 64.9 33.6 266 453 A L H X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.848 108.6 51.0 -58.5 -34.1 29.3 61.5 32.1 267 454 A C H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.890 104.4 54.7 -73.3 -36.0 28.4 60.0 35.5 268 455 A V H X S+ 0 0 81 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.918 110.8 49.0 -50.2 -48.0 25.3 62.2 35.9 269 456 A T H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 13,-0.2 0.875 108.8 52.2 -63.2 -41.5 24.3 60.7 32.5 270 457 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.941 106.8 53.2 -58.5 -52.2 25.1 57.1 33.7 271 458 A E H < S+ 0 0 109 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.795 108.9 48.4 -61.3 -24.6 22.9 57.5 36.7 272 459 A E H >< S+ 0 0 60 -4,-1.0 3,-1.3 -5,-0.2 -1,-0.2 0.912 110.0 55.0 -81.5 -36.9 20.0 58.7 34.6 273 460 A C H 3< S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.3 -70,-0.2 0.851 112.7 39.1 -55.7 -40.6 20.6 55.7 32.4 274 461 A W T 3< S+ 0 0 9 -4,-2.3 -1,-0.3 -71,-0.1 -2,-0.1 0.067 84.2 147.1-107.4 35.4 20.4 53.1 35.1 275 462 A D < - 0 0 60 -3,-1.3 6,-0.1 2,-0.2 -3,-0.1 -0.376 56.1-127.7 -66.8 143.7 17.5 54.8 37.1 276 463 A H S S+ 0 0 82 -28,-0.1 2,-0.8 1,-0.1 -95,-0.3 0.926 99.1 74.1 -52.5 -49.0 15.1 52.5 38.9 277 464 A D S > S- 0 0 82 1,-0.2 3,-1.6 -97,-0.1 4,-0.3 -0.595 73.5-158.0 -70.6 105.8 12.2 54.3 37.1 278 465 A A G > S+ 0 0 21 -2,-0.8 3,-1.4 1,-0.3 -1,-0.2 0.862 92.0 58.8 -50.2 -44.6 12.3 53.0 33.5 279 466 A E G 3 S+ 0 0 149 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.716 99.6 60.0 -57.7 -25.9 10.5 56.1 32.3 280 467 A A G < S+ 0 0 38 -3,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.447 82.8 104.7 -82.1 -7.1 13.3 58.4 33.8 281 468 A R S < S- 0 0 18 -3,-1.4 -8,-0.2 -4,-0.3 2,-0.1 -0.483 71.6-119.0 -81.1 154.4 16.1 56.8 31.6 282 469 A L - 0 0 20 -13,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.451 26.6-111.5 -88.1 158.2 17.5 58.7 28.6 283 470 A S > - 0 0 70 -2,-0.1 4,-1.7 1,-0.1 3,-0.4 -0.508 28.4-109.5 -83.0 165.9 17.3 57.4 25.1 284 471 A A H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -172,-0.3 0.833 120.0 54.4 -60.6 -37.8 20.4 56.3 23.2 285 472 A G H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.822 105.8 51.2 -68.7 -30.6 20.2 59.4 21.0 286 473 A C H > S+ 0 0 39 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.820 110.4 49.3 -76.7 -33.0 20.1 61.7 23.9 287 474 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.903 108.6 53.2 -63.7 -43.2 23.3 59.9 25.3 288 475 A E H X S+ 0 0 50 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.963 114.0 43.4 -57.9 -53.6 25.0 60.3 21.8 289 476 A E H X S+ 0 0 135 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.940 113.2 50.7 -54.9 -58.2 24.2 64.0 22.0 290 477 A R H X S+ 0 0 73 -4,-2.4 4,-0.7 2,-0.2 3,-0.4 0.949 110.4 49.4 -40.9 -55.4 25.2 64.4 25.6 291 478 A V H >X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 3,-1.1 0.931 110.0 52.1 -57.5 -46.2 28.6 62.6 24.9 292 479 A S H 3X S+ 0 0 39 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.861 111.5 45.3 -52.8 -42.3 29.3 64.9 22.0 293 480 A L H 3< S+ 0 0 102 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.433 110.2 54.5 -84.8 -10.0 28.6 68.1 24.0 294 481 A I H X< S+ 0 0 7 -3,-1.1 3,-1.1 -4,-0.7 -2,-0.2 0.789 104.0 54.2 -91.2 -36.5 30.7 66.9 27.0 295 482 A R H 3< S+ 0 0 95 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.893 106.1 55.2 -54.7 -38.2 33.6 66.3 24.6 296 483 A R T 3< 0 0 184 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.560 360.0 360.0 -73.0 -19.6 33.1 69.9 23.7 297 484 A S < 0 0 103 -3,-1.1 -35,-0.1 -4,-0.2 -3,-0.1 -0.478 360.0 360.0 -54.2 360.0 33.4 71.1 27.3