==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 09-MAY-07 2PV2 . COMPND 2 MOLECULE: CHAPERONE SURA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.XU,D.B.MCKAY . 436 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21395.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 73.9 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 . 104 23.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.8 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 2 1 7 0 0 0 0 0 0 0 0 0 0 4 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 . 2 0 0 0 8 0 0 0 4 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 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 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 1 172 A T 0 0 130 0, 0.0 64,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 113.5 -6.4 -25.8 20.7 2 173 A E E -A 64 0A 54 101,-2.0 101,-2.2 62,-0.2 2,-0.3 -0.926 360.0-169.2-121.0 144.1 -6.8 -22.1 19.9 3 174 A L E -AB 63 102A 3 60,-2.7 60,-1.2 -2,-0.4 2,-0.6 -0.935 16.9-145.9-128.1 148.6 -8.5 -19.3 21.8 4 175 A N E -AB 62 101A 29 97,-2.5 96,-2.0 -2,-0.3 97,-1.5 -0.983 36.5-178.5-113.5 119.6 -9.4 -15.7 20.9 5 176 A L E -AB 61 99A 0 56,-2.0 55,-2.9 -2,-0.6 56,-0.8 -0.860 29.2-157.8-125.9 155.3 -9.0 -13.6 24.0 6 177 A S E -AB 59 98A 7 92,-1.9 92,-2.5 -2,-0.3 2,-0.3 -0.930 23.3-162.4-123.4 152.4 -9.4 -10.1 25.3 7 178 A H E - B 0 97A 0 51,-2.2 2,-0.4 -2,-0.3 90,-0.2 -0.985 15.4-165.2-142.6 147.8 -7.5 -9.0 28.4 8 179 A I E - B 0 96A 0 88,-2.2 88,-2.2 -2,-0.3 2,-0.5 -0.998 9.4-156.8-133.4 132.2 -7.5 -6.3 31.1 9 180 A L E - B 0 95A 11 -2,-0.4 41,-2.3 86,-0.2 86,-0.2 -0.956 5.6-167.5-111.6 122.7 -4.7 -5.4 33.4 10 181 A I E - B 0 94A 3 84,-3.0 84,-2.9 -2,-0.5 39,-0.1 -0.940 37.5-130.6-103.6 107.6 -5.4 -3.7 36.8 11 182 A P E - B 0 93A 68 0, 0.0 82,-0.3 0, 0.0 81,-0.1 -0.203 29.8-176.7 -71.5 150.7 -1.8 -2.7 37.7 12 183 A L - 0 0 19 80,-1.9 2,-0.1 12,-0.0 9,-0.0 -0.982 29.7-118.4-136.0 142.9 0.3 -3.1 40.9 13 184 A P - 0 0 62 0, 0.0 80,-0.0 0, 0.0 7,-0.0 -0.360 42.5 -93.9 -74.6 168.8 3.8 -1.8 41.4 14 185 A E S S+ 0 0 119 1,-0.3 79,-0.1 -2,-0.1 414,-0.0 0.821 119.5 26.4 -54.7 -40.0 6.5 -4.5 42.1 15 186 A N S S- 0 0 150 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.724 87.7-175.3-127.4 81.7 6.3 -4.2 45.9 16 187 A P - 0 0 38 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.431 25.3-116.8 -80.6 149.1 2.8 -3.0 46.7 17 188 A T > - 0 0 79 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.364 33.1-109.2 -74.2 163.3 1.3 -2.2 50.1 18 189 A S H > S+ 0 0 99 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.856 121.2 53.5 -65.0 -32.2 -1.5 -4.3 51.3 19 190 A D H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 106.7 51.2 -68.5 -38.9 -3.9 -1.4 50.8 20 191 A Q H > S+ 0 0 81 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 112.5 47.5 -61.2 -43.1 -2.7 -1.0 47.1 21 192 A V H X S+ 0 0 16 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.935 111.3 49.4 -64.4 -44.3 -3.4 -4.7 46.6 22 193 A N H X S+ 0 0 93 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.902 112.4 48.2 -62.8 -40.9 -6.8 -4.6 48.2 23 194 A E H X S+ 0 0 134 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.908 113.7 46.1 -68.3 -39.5 -7.8 -1.6 46.1 24 195 A A H X S+ 0 0 10 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.911 112.4 50.7 -69.7 -40.5 -6.6 -3.2 42.9 25 196 A E H X S+ 0 0 50 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.909 109.3 52.2 -63.7 -39.5 -8.2 -6.5 43.7 26 197 A S H X S+ 0 0 63 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.924 111.0 46.0 -62.6 -44.3 -11.5 -4.7 44.4 27 198 A Q H X S+ 0 0 81 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.929 112.9 50.3 -65.3 -42.9 -11.5 -2.9 41.1 28 199 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.916 110.9 49.0 -61.4 -41.9 -10.6 -6.1 39.2 29 200 A R H X S+ 0 0 134 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.898 109.1 52.6 -64.5 -39.4 -13.4 -8.0 40.9 30 201 A A H X S+ 0 0 52 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.894 110.3 49.0 -62.2 -39.4 -15.9 -5.2 40.0 31 202 A I H X S+ 0 0 6 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.917 109.6 50.3 -67.7 -42.5 -14.8 -5.5 36.4 32 203 A V H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.947 111.9 49.9 -58.5 -46.0 -15.2 -9.3 36.4 33 204 A D H X S+ 0 0 97 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.912 112.8 44.4 -61.1 -45.5 -18.7 -8.8 37.8 34 205 A Q H <>S+ 0 0 104 -4,-2.4 5,-2.5 2,-0.2 4,-0.3 0.919 113.4 51.3 -66.5 -41.5 -19.7 -6.2 35.3 35 206 A A H ><5S+ 0 0 5 -4,-2.8 3,-1.4 1,-0.2 -2,-0.2 0.911 110.3 48.4 -61.6 -41.0 -18.2 -8.2 32.4 36 207 A R H 3<5S+ 0 0 151 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.769 106.7 58.6 -69.5 -24.3 -20.1 -11.4 33.5 37 208 A N T 3<5S- 0 0 134 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.457 130.6 -93.4 -83.6 -2.2 -23.2 -9.3 33.7 38 209 A G T < 5 + 0 0 63 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.460 69.6 155.2 106.9 1.9 -22.9 -8.4 30.1 39 210 A A < - 0 0 29 -5,-2.5 2,-0.6 1,-0.1 -1,-0.2 -0.252 59.3 -90.6 -61.9 150.3 -21.0 -5.1 30.1 40 211 A D > - 0 0 108 1,-0.2 4,-1.8 2,-0.1 -1,-0.1 -0.484 37.2-159.1 -65.0 111.4 -19.0 -4.3 26.9 41 212 A F H > S+ 0 0 7 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.865 88.5 54.8 -63.3 -39.3 -15.6 -5.8 27.7 42 213 A G H > S+ 0 0 20 1,-0.2 4,-2.3 2,-0.2 15,-0.2 0.895 108.2 49.1 -61.7 -39.7 -13.8 -3.6 25.1 43 214 A K H > S+ 0 0 156 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 109.2 53.2 -67.3 -37.0 -15.1 -0.5 26.8 44 215 A L H X S+ 0 0 24 -4,-1.8 4,-2.3 2,-0.2 5,-0.4 0.906 110.0 48.2 -63.9 -39.0 -14.0 -1.8 30.2 45 216 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 110.6 49.6 -68.1 -44.0 -10.5 -2.3 28.8 46 217 A I H < S+ 0 0 61 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.905 117.0 43.4 -61.0 -38.8 -10.3 1.2 27.3 47 218 A A H < S+ 0 0 63 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.842 133.7 9.0 -75.9 -34.1 -11.5 2.7 30.6 48 219 A H H < S+ 0 0 74 -4,-2.3 2,-0.2 -5,-0.2 -3,-0.2 0.613 89.6 108.5-127.1 -16.2 -9.4 0.7 33.0 49 220 A S < - 0 0 8 -4,-2.2 -39,-0.2 -5,-0.4 9,-0.1 -0.499 42.0-163.4 -75.4 138.2 -6.7 -1.5 31.5 50 221 A A + 0 0 57 -41,-2.3 -1,-0.1 -2,-0.2 -40,-0.1 0.455 58.7 99.1 -95.3 -2.3 -3.1 -0.5 31.9 51 222 A D S > S- 0 0 11 -42,-0.2 3,-1.6 -6,-0.1 4,-0.3 -0.315 86.8-102.8 -87.0 172.0 -1.7 -2.8 29.2 52 223 A Q T 3 S+ 0 0 117 1,-0.3 3,-0.2 369,-0.2 -1,-0.1 0.577 117.4 56.0 -66.4 -13.6 -0.7 -1.9 25.6 53 224 A Q T > >S+ 0 0 34 1,-0.1 5,-2.5 2,-0.1 3,-1.9 0.437 77.1 100.4 -97.9 0.8 -3.9 -3.5 24.1 54 225 A A G X 5S+ 0 0 0 -3,-1.6 3,-1.6 1,-0.3 -1,-0.1 0.890 77.9 53.6 -52.4 -47.3 -6.2 -1.3 26.2 55 226 A L G 3 5S+ 0 0 18 1,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.570 106.4 54.6 -68.4 -7.9 -6.9 1.2 23.4 56 227 A N G X 5S- 0 0 63 -3,-1.9 3,-1.5 3,-0.1 -1,-0.3 -0.093 129.7 -94.4-112.6 31.6 -7.9 -1.7 21.2 57 228 A G T < 5 - 0 0 7 -3,-1.6 -3,-0.2 1,-0.3 -12,-0.2 0.676 69.1 -71.4 67.7 19.9 -10.5 -3.0 23.7 58 229 A G T 3 -A 2 0A 81 -2,-0.3 3,-1.6 -62,-0.2 4,-0.5 -0.556 35.2-117.6 -86.8 154.4 -2.7 -21.6 21.2 65 236 A I G > S+ 0 0 29 -64,-1.7 3,-1.3 1,-0.3 109,-0.2 0.874 116.8 57.0 -57.7 -36.1 -3.2 -22.6 24.8 66 237 A Q G 3 S+ 0 0 80 -65,-0.3 109,-1.6 1,-0.3 -1,-0.3 0.646 97.8 61.9 -71.3 -13.7 0.6 -23.4 25.0 67 238 A E G < S+ 0 0 1 -3,-1.6 -1,-0.3 107,-0.2 -2,-0.2 0.592 87.7 94.5 -86.8 -9.8 1.4 -19.9 23.9 68 239 A L S < S- 0 0 1 -3,-1.3 106,-2.2 -4,-0.5 107,-0.1 -0.363 90.9 -95.3 -78.6 156.3 -0.3 -18.4 27.0 69 240 A P B >> -D 173 0B 1 0, 0.0 3,-2.1 0, 0.0 4,-1.8 -0.465 39.6-113.6 -68.3 150.7 1.6 -17.6 30.1 70 241 A G H 3> S+ 0 0 29 102,-1.0 4,-1.0 99,-0.4 101,-0.2 0.829 113.1 64.6 -53.6 -35.7 1.4 -20.5 32.6 71 242 A I H 34 S+ 0 0 28 99,-2.1 -1,-0.3 1,-0.2 4,-0.2 0.652 112.9 34.0 -66.0 -13.9 -0.6 -18.5 35.1 72 243 A F H <> S+ 0 0 0 -3,-2.1 4,-2.6 98,-0.2 5,-0.2 0.675 102.6 74.6-108.9 -27.6 -3.5 -18.3 32.5 73 244 A A H X S+ 0 0 22 -4,-1.8 4,-1.8 1,-0.2 -2,-0.1 0.896 95.1 47.5 -56.5 -49.1 -3.2 -21.6 30.7 74 245 A Q H X S+ 0 0 166 -4,-1.0 4,-0.6 1,-0.2 -1,-0.2 0.949 115.5 45.0 -60.2 -48.4 -4.6 -23.9 33.4 75 246 A A H >4 S+ 0 0 43 1,-0.2 3,-0.8 -4,-0.2 -1,-0.2 0.920 115.9 46.1 -62.4 -43.4 -7.6 -21.7 34.1 76 247 A L H >< S+ 0 0 3 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.736 94.1 77.2 -74.3 -21.7 -8.4 -21.1 30.4 77 248 A S H 3< S+ 0 0 78 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.793 104.6 35.1 -59.7 -26.2 -8.0 -24.8 29.4 78 249 A T T << S+ 0 0 122 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.249 95.8 109.3-112.8 12.1 -11.5 -25.5 30.9 79 250 A A < - 0 0 16 -3,-1.3 2,-0.3 -4,-0.1 -3,-0.0 -0.400 55.0-143.6 -83.8 163.1 -13.3 -22.3 30.0 80 251 A K > - 0 0 138 -2,-0.1 3,-2.2 1,-0.1 19,-0.2 -0.800 38.7 -68.4-121.3 165.9 -16.0 -21.9 27.4 81 252 A K T 3 S+ 0 0 134 -2,-0.3 19,-0.2 1,-0.3 3,-0.1 -0.259 120.8 23.6 -53.9 134.6 -16.8 -19.2 24.9 82 253 A G T 3 S+ 0 0 40 17,-3.4 -1,-0.3 1,-0.3 18,-0.1 0.216 88.6 138.6 93.4 -15.9 -18.1 -16.1 26.7 83 254 A D < - 0 0 50 -3,-2.2 16,-2.7 16,-0.2 2,-0.5 -0.316 44.8-147.0 -64.9 146.1 -16.5 -16.9 30.0 84 255 A I E -C 98 0A 8 14,-0.2 2,-0.5 -3,-0.1 14,-0.2 -0.968 19.0-161.3-110.9 126.1 -14.8 -14.1 32.0 85 256 A V E -C 97 0A 21 12,-3.0 12,-2.8 -2,-0.5 3,-0.3 -0.931 26.8 -40.2-116.9 131.1 -11.8 -15.5 33.9 86 257 A G E - 0 0 21 -2,-0.5 10,-0.2 1,-0.3 2,-0.1 -0.802 28.8-118.6 134.1-174.6 -10.2 -13.8 36.9 87 258 A P E + 0 0 41 0, 0.0 2,-0.5 0, 0.0 -1,-0.3 0.415 57.0 178.0 -72.4 139.0 -9.1 -11.9 38.7 88 259 A I E -C 95 0A 29 7,-2.2 7,-2.7 -3,-0.3 2,-0.3 -0.950 21.1-136.8-110.9 126.4 -5.8 -13.7 38.3 89 260 A R E +C 94 0A 138 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.651 29.4 164.4 -87.0 138.9 -2.8 -12.3 40.2 90 261 A S E > -C 93 0A 12 3,-2.6 3,-1.0 -2,-0.3 81,-0.0 -0.795 56.4 -86.5-134.9-179.0 0.6 -11.9 38.6 91 262 A G T 3 S+ 0 0 28 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.673 126.7 47.0 -67.9 -14.2 3.7 -10.0 39.6 92 263 A V T 3 S- 0 0 25 1,-0.2 -80,-1.9 -81,-0.1 2,-0.3 0.412 121.8 -77.2-108.4 1.7 2.3 -6.9 37.7 93 264 A G E < -BC 11 90A 0 -3,-1.0 -3,-2.6 -82,-0.3 2,-0.4 -0.985 67.3 -33.6 145.6-154.5 -1.2 -6.8 38.9 94 265 A F E -BC 10 89A 6 -84,-2.9 -84,-3.0 -2,-0.3 2,-0.4 -0.912 52.3-152.5-111.4 137.2 -4.6 -8.4 38.5 95 266 A H E -BC 9 88A 0 -7,-2.7 -7,-2.2 -2,-0.4 2,-0.4 -0.868 10.5-167.7-115.1 142.4 -5.7 -9.8 35.2 96 267 A I E -B 8 0A 0 -88,-2.2 -88,-2.2 -2,-0.4 2,-0.4 -0.996 11.8-168.0-127.3 129.2 -9.2 -10.3 33.7 97 268 A L E -BC 7 85A 0 -12,-2.8 -12,-3.0 -2,-0.4 2,-0.5 -0.915 9.3-158.9-119.5 144.3 -9.6 -12.4 30.6 98 269 A K E -BC 6 84A 53 -92,-2.5 -92,-1.9 -2,-0.4 2,-1.1 -0.990 16.2-139.5-121.2 130.2 -12.6 -12.8 28.3 99 270 A V E +B 5 0A 1 -16,-2.7 -17,-3.4 -2,-0.5 -94,-0.2 -0.759 23.8 176.0 -88.5 99.4 -12.9 -15.9 26.0 100 271 A N E - 0 0 55 -96,-2.0 2,-0.3 -2,-1.1 -1,-0.2 0.843 64.0 -23.9 -72.1 -33.9 -14.2 -14.4 22.8 101 272 A D E -B 4 0A 56 -97,-1.5 -97,-2.5 -3,-0.2 2,-0.3 -0.986 48.2-142.9-169.4 166.7 -14.0 -17.7 21.0 102 273 A L E B 3 0A 68 -2,-0.3 -99,-0.2 -99,-0.2 -21,-0.0 -0.969 360.0 360.0-136.2 145.3 -12.5 -21.2 20.8 103 274 A R 0 0 182 -101,-2.2 -101,-2.0 -2,-0.3 -2,-0.0 -0.955 360.0 360.0-152.3 360.0 -11.6 -23.0 17.6 104 !* 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 0.0 105 172 B T 0 0 120 0, 0.0 64,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 145.7 12.0 -19.9 39.4 106 173 B E E -E 168 0C 49 62,-0.2 101,-2.2 63,-0.1 2,-0.4 -0.971 360.0-161.6-130.7 146.7 12.9 -16.7 37.6 107 174 B L E -EF 167 206C 9 60,-2.6 60,-2.0 -2,-0.4 2,-0.7 -0.980 17.1-144.0-131.8 142.8 15.1 -16.2 34.5 108 175 B N E -EF 166 205C 35 97,-2.7 96,-2.6 -2,-0.4 97,-1.4 -0.939 40.5-177.4-102.2 109.6 16.8 -13.2 33.1 109 176 B L E -EF 165 203C 2 56,-1.7 55,-3.0 -2,-0.7 56,-0.7 -0.807 29.9-156.5-116.3 154.6 16.4 -13.7 29.3 110 177 B S E -EF 163 202C 7 92,-1.9 92,-2.4 -2,-0.3 2,-0.4 -0.929 24.4-160.3-119.6 149.5 17.4 -12.1 26.0 111 178 B H E - F 0 201C 0 51,-2.5 2,-0.4 -2,-0.4 90,-0.2 -0.981 16.4-165.3-139.7 143.5 15.2 -12.8 23.0 112 179 B I E - F 0 200C 0 88,-2.3 88,-2.3 -2,-0.4 2,-0.5 -0.997 10.6-157.7-128.1 132.0 15.4 -12.7 19.2 113 180 B L E - F 0 199C 14 -2,-0.4 41,-2.2 86,-0.2 86,-0.2 -0.952 7.9-169.1-112.9 123.3 12.4 -12.8 16.9 114 181 B I E - F 0 198C 2 84,-2.9 84,-2.9 -2,-0.5 39,-0.1 -0.945 35.8-134.5-106.6 104.5 12.7 -13.9 13.3 115 182 B P E - F 0 197C 69 0, 0.0 82,-0.3 0, 0.0 81,-0.1 -0.175 24.3-169.5 -69.0 153.9 9.2 -13.0 12.0 116 183 B L - 0 0 21 80,-1.9 9,-0.0 79,-0.1 2,-0.0 -0.975 28.6-111.4-135.2 146.3 6.7 -14.8 9.9 117 184 B P - 0 0 63 0, 0.0 169,-0.0 0, 0.0 80,-0.0 -0.291 43.6 -93.8 -72.1 169.0 3.5 -13.4 8.3 118 185 B E S S+ 0 0 189 1,-0.3 79,-0.1 78,-0.0 -2,-0.0 0.854 118.0 21.5 -50.3 -49.8 0.1 -14.7 9.7 119 186 B N S S- 0 0 154 0, 0.0 -1,-0.3 0, 0.0 76,-0.0 -0.686 90.0-170.1-123.2 73.3 -0.5 -17.5 7.2 120 187 B P - 0 0 27 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.284 20.1-121.2 -70.4 150.3 3.0 -18.3 5.9 121 188 B T > - 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0 0 38 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.3 -0.315 62.2-104.4 -59.5 136.9 36.9 20.7 1.4 352 211 D D > - 0 0 91 1,-0.2 4,-2.0 2,-0.1 5,-0.2 -0.490 26.3-149.0 -64.6 119.6 34.8 22.5 4.1 353 212 D F H > S+ 0 0 10 -2,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.892 94.8 53.2 -58.5 -44.0 31.5 20.5 4.3 354 213 D G H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 15,-0.3 0.886 108.1 50.6 -59.9 -39.9 29.4 23.5 5.2 355 214 D K H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 108.7 52.0 -64.5 -41.2 30.7 25.4 2.2 356 215 D L H X S+ 0 0 14 -4,-2.0 4,-2.5 1,-0.2 5,-0.4 0.870 109.8 50.0 -62.3 -37.2 29.8 22.4 -0.1 357 216 D A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.924 109.2 50.4 -67.6 -44.7 26.3 22.4 1.4 358 217 D I H < S+ 0 0 85 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 118.4 40.0 -59.1 -40.8 25.9 26.1 0.8 359 218 D A H < S+ 0 0 72 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.810 133.7 14.9 -80.6 -31.6 27.0 25.6 -2.8 360 219 D H H < S+ 0 0 76 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.673 90.8 105.1-120.3 -21.9 25.3 22.4 -3.7 361 220 D S < - 0 0 16 -4,-2.1 -39,-0.2 -5,-0.4 9,-0.1 -0.418 40.8-167.2 -73.3 140.6 22.5 21.4 -1.2 362 221 D A + 0 0 57 -41,-2.3 -1,-0.1 -2,-0.2 -40,-0.1 0.463 57.3 98.9 -99.9 -5.1 18.9 21.7 -2.1 363 222 D D S > S- 0 0 18 -42,-0.2 3,-2.0 -44,-0.1 4,-0.2 -0.363 88.8 -98.4 -84.9 168.2 17.4 21.2 1.4 364 223 D Q T 3 S+ 0 0 136 1,-0.3 3,-0.3 2,-0.1 -1,-0.1 0.635 118.5 55.5 -56.6 -21.3 16.3 23.9 3.8 365 224 D Q T > >S+ 0 0 26 1,-0.2 5,-2.3 2,-0.1 3,-1.6 0.408 74.6 106.5 -94.2 1.1 19.5 23.9 5.9 366 225 D A G X 5S+ 0 0 12 -3,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.874 75.1 53.5 -46.7 -51.1 21.8 24.6 2.9 367 226 D L G 3 5S+ 0 0 145 1,-0.3 -1,-0.3 -3,-0.3 -9,-0.1 0.725 107.0 54.6 -61.0 -22.2 22.5 28.2 3.8 368 227 D N G X 5S- 0 0 111 -3,-1.6 3,-1.5 3,-0.1 -1,-0.3 -0.132 129.7 -91.5-103.6 36.0 23.6 27.1 7.2 369 228 D G T < 5S- 0 0 7 -3,-1.4 -3,-0.2 -15,-0.3 -12,-0.2 0.675 72.0 -71.7 66.2 18.3 26.1 24.6 6.0 370 229 D G T 3 > -L 314 0F 52 -2,-0.3 3,-1.8 -62,-0.2 4,-0.7 -0.656 27.2-130.8 -83.8 137.7 18.5 10.6 18.2 377 236 D I G >4 S+ 0 0 35 -64,-2.5 3,-0.8 -2,-0.3 -99,-0.3 0.845 106.4 58.3 -57.5 -34.2 19.7 7.8 16.0 378 237 D Q G 34 S+ 0 0 59 -65,-0.3 -99,-2.1 1,-0.2 -1,-0.3 0.578 104.6 52.3 -72.9 -10.2 16.3 6.0 16.3 379 238 D E G <4 S+ 0 0 9 -3,-1.8 -1,-0.2 -102,-0.2 -2,-0.2 0.558 89.8 95.8-102.3 -8.2 14.5 9.1 14.9 380 239 D L S << S- 0 0 4 -3,-0.8 -102,-1.0 -4,-0.7 -101,-0.1 -0.363 96.0 -79.7 -77.6 158.4 16.7 9.4 11.8 381 240 D P B >> -K 277 0E 1 0, 0.0 4,-2.3 0, 0.0 3,-1.7 -0.354 44.9-122.1 -56.3 137.0 15.5 8.0 8.5 382 241 D G H 3> S+ 0 0 10 -106,-2.2 4,-2.7 1,-0.3 -107,-0.2 0.864 110.7 58.6 -50.4 -41.4 16.3 4.2 8.6 383 242 D I H 3> S+ 0 0 19 -109,-1.1 4,-0.9 1,-0.2 -1,-0.3 0.750 110.8 43.3 -62.7 -23.9 18.5 4.4 5.5 384 243 D F H <> S+ 0 0 0 -3,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.885 111.2 51.4 -86.6 -46.0 20.7 7.0 7.3 385 244 D A H < S+ 0 0 24 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.902 111.4 50.7 -57.0 -40.1 20.9 5.3 10.7 386 245 D Q H >< S+ 0 0 121 -4,-2.7 3,-1.1 -5,-0.3 -1,-0.2 0.916 110.3 47.8 -63.8 -43.6 21.9 2.2 8.8 387 246 D A H 3< S+ 0 0 40 -4,-0.9 3,-0.3 1,-0.2 -1,-0.2 0.769 115.1 47.0 -67.6 -26.5 24.7 4.1 7.0 388 247 D L T >< S+ 0 0 9 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.278 76.1 114.3 -97.8 7.6 25.8 5.6 10.3 389 248 D S T < S+ 0 0 92 -3,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.691 95.9 14.0 -53.6 -24.0 25.8 2.3 12.2 390 249 D T T 3 S+ 0 0 125 -3,-0.3 -1,-0.3 -4,-0.1 -2,-0.1 0.120 93.4 138.7-139.5 20.2 29.6 2.4 12.7 391 250 D A < - 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0 0 50 -96,-2.4 2,-0.3 -2,-1.0 -1,-0.2 0.841 67.6 -19.6 -76.1 -33.4 30.0 16.7 13.5 413 272 D D E -M 316 0F 49 -97,-1.4 -97,-2.7 -20,-0.1 2,-0.3 -0.972 57.8-153.8-167.5 163.9 29.8 15.1 16.9 414 273 D L E M 315 0F 55 -2,-0.3 -99,-0.2 -99,-0.2 -21,-0.0 -0.981 360.0 360.0-146.3 153.2 28.4 12.1 18.8 415 274 D R 0 0 165 -101,-2.1 -101,-2.8 -2,-0.3 -2,-0.0 -0.971 360.0 360.0-159.4 360.0 27.3 11.3 22.3 416 !* 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 0.0 417 1 E N 0 0 45 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 143.2 -1.1 -14.1 17.3 418 2 E F > + 0 0 0 -356,-1.8 4,-2.3 1,-0.2 5,-0.3 0.408 360.0 105.0 -91.1 4.7 -1.0 -13.3 21.0 419 3 E T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.909 94.4 26.2 -51.2 -55.9 2.3 -14.9 22.1 420 4 E L H > S+ 0 0 24 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.767 113.7 66.0 -82.3 -25.4 4.3 -11.7 22.5 421 5 E K H > S+ 0 0 71 -4,-0.4 4,-0.6 1,-0.2 -2,-0.2 0.902 108.9 41.3 -61.8 -39.6 1.4 -9.5 23.2 422 6 E F H >X S+ 0 0 1 -4,-2.3 3,-1.1 2,-0.2 4,-0.7 0.927 112.7 52.4 -73.1 -44.2 0.9 -11.4 26.4 423 7 E W H >X S+ 0 0 16 -4,-1.5 3,-1.4 -5,-0.3 4,-0.7 0.910 101.5 62.1 -59.3 -38.9 4.6 -11.6 27.3 424 8 E D H >< S+ 0 0 31 -4,-2.7 3,-0.5 1,-0.3 -1,-0.3 0.770 93.4 64.8 -57.0 -28.0 4.9 -7.8 26.9 425 9 E I H << S+ 0 0 20 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.829 104.8 43.9 -65.4 -31.3 2.5 -7.3 29.8 426 10 E F H << S+ 0 0 9 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.538 84.6 117.8 -92.9 -8.8 4.8 -8.9 32.3 427 11 E R << 0 0 116 -4,-0.7 -262,-0.1 -3,-0.5 -260,-0.1 -0.377 360.0 360.0 -67.3 134.8 8.1 -7.2 31.2 428 12 E K 0 0 101 -264,-0.5 -1,-0.2 -262,-0.4 -263,-0.1 0.550 360.0 360.0-135.5 360.0 9.8 -5.0 33.8 429 !* 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 0.0 430 1 F N 0 0 50 0, 0.0 4,-0.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 140.4 8.2 10.7 -0.7 431 2 F F > + 0 0 0 -161,-1.6 4,-2.3 1,-0.2 5,-0.3 0.376 360.0 107.0 -93.1 6.5 8.2 11.0 3.0 432 3 F T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.916 94.3 25.2 -50.7 -56.6 11.9 10.6 3.9 433 4 F L H > S+ 0 0 25 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.766 114.0 67.0 -83.1 -23.6 12.7 14.2 4.8 434 5 F K H > S+ 0 0 76 -4,-0.3 4,-0.7 1,-0.2 -2,-0.2 0.903 107.9 41.2 -62.5 -39.1 9.1 15.1 5.8 435 6 F F H >X S+ 0 0 0 -4,-2.3 3,-1.2 2,-0.2 4,-0.7 0.935 112.2 53.6 -73.1 -44.5 9.4 12.7 8.7 436 7 F W H >X S+ 0 0 14 -4,-1.5 3,-1.2 -5,-0.3 4,-0.9 0.891 100.8 63.0 -57.6 -35.9 12.9 13.8 9.6 437 8 F D H 3< S+ 0 0 34 -4,-2.7 3,-0.4 1,-0.3 -1,-0.3 0.818 94.4 62.2 -56.7 -32.9 11.7 17.4 9.7 438 9 F I H << S+ 0 0 23 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.819 106.5 43.4 -64.8 -31.5 9.4 16.5 12.6 439 10 F F H << S+ 0 0 8 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.602 85.2 112.1 -92.2 -13.6 12.3 15.6 14.9 440 11 F R < 0 0 61 -4,-0.9 -67,-0.1 -3,-0.4 -65,-0.1 -0.392 360.0 360.0 -68.6 137.3 14.7 18.4 14.2 441 12 F K 0 0 129 -67,-0.5 -1,-0.2 -69,-0.4 -68,-0.1 0.634 360.0 360.0-126.2 360.0 15.4 20.9 17.0