==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 22-JAN-11 3QFS . COMPND 2 MOLECULE: NADPH--CYTOCHROME P450 REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.XIA,C.MAROHNIC,S.P.PANDA,B.S.MASTERS,J.-J.P.KIM . 435 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 11.0 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 . 1 0.2 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 . 33 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 3.2 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 0 0 0 6 0 1 2 2 0 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 1 1 3 1 1 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 . 1 0 1 1 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 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 1 246 A R 0 0 117 0, 0.0 108,-0.1 0, 0.0 200,-0.0 0.000 360.0 360.0 360.0 172.3 14.6 11.4 35.4 2 247 A Q + 0 0 96 106,-0.1 107,-2.9 107,-0.1 108,-0.5 0.755 360.0 41.4 -79.9 -27.1 13.8 14.0 32.7 3 248 A Y E -A 108 0A 13 105,-0.3 2,-0.4 106,-0.1 105,-0.2 -0.889 66.2-142.6-124.3 154.5 13.1 11.7 29.7 4 249 A E E -A 107 0A 105 103,-2.7 103,-2.7 -2,-0.3 2,-0.4 -0.901 26.6-119.0-113.2 144.2 11.2 8.4 29.2 5 250 A L E -A 106 0A 62 -2,-0.4 2,-0.5 101,-0.2 101,-0.2 -0.679 25.1-176.2 -87.0 132.0 12.5 5.8 26.8 6 251 A V E -A 105 0A 49 99,-2.5 99,-2.0 -2,-0.4 2,-0.4 -0.948 15.0-152.2-127.9 107.2 10.5 4.7 23.8 7 252 A V E -A 104 0A 69 -2,-0.5 2,-0.8 97,-0.2 97,-0.2 -0.674 1.3-154.8 -83.5 131.1 12.1 1.9 21.8 8 253 A H > + 0 0 51 95,-2.5 3,-0.6 -2,-0.4 95,-0.4 -0.826 19.1 171.9-107.0 91.0 11.2 1.7 18.1 9 254 A T T 3 S+ 0 0 124 -2,-0.8 -1,-0.2 1,-0.2 95,-0.1 0.707 78.2 26.5 -73.3 -21.3 11.7 -1.9 17.2 10 255 A D T 3 S+ 0 0 139 93,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.335 81.7 148.4-141.6 59.2 10.2 -1.6 13.7 11 256 A I < - 0 0 47 -3,-0.6 2,-0.2 1,-0.1 5,-0.1 -0.644 52.4-101.6 -95.6 149.3 10.6 2.0 12.5 12 257 A D > - 0 0 101 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.476 25.6-130.0 -68.7 136.4 11.1 3.0 8.8 13 258 A A G > S+ 0 0 84 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.850 105.6 64.8 -54.3 -37.7 14.7 3.9 8.0 14 259 A A G 3 S+ 0 0 65 1,-0.3 -1,-0.3 10,-0.0 -2,-0.0 0.674 99.4 53.5 -61.4 -18.2 13.5 7.2 6.4 15 260 A K G < S+ 0 0 115 -3,-2.0 2,-0.5 2,-0.1 -1,-0.3 0.431 89.8 99.1 -96.4 -0.6 12.3 8.4 9.8 16 261 A V < - 0 0 11 -3,-1.9 107,-0.2 -4,-0.3 2,-0.2 -0.771 69.8-129.8 -99.8 128.5 15.6 7.7 11.6 17 262 A Y B -b 123 0A 39 105,-2.8 107,-0.6 -2,-0.5 110,-0.1 -0.476 19.7-175.6 -69.9 138.2 18.2 10.4 12.4 18 263 A M S S- 0 0 115 -2,-0.2 -1,-0.1 105,-0.1 105,-0.1 0.067 71.9 -53.3-122.7 21.6 21.8 9.4 11.4 19 264 A G S S+ 0 0 1 1,-0.3 -2,-0.1 101,-0.1 104,-0.0 0.281 86.1 143.5 126.4 -12.2 23.8 12.4 12.7 20 265 A E - 0 0 9 1,-0.1 -1,-0.3 2,-0.1 18,-0.1 -0.303 41.5-148.4 -60.0 144.0 22.1 15.5 11.3 21 266 A M S S+ 0 0 47 15,-0.1 -1,-0.1 16,-0.1 17,-0.1 0.733 79.0 8.7 -86.6 -24.4 22.0 18.4 13.7 22 267 A G S S+ 0 0 23 1,-0.4 16,-0.1 15,-0.2 2,-0.1 0.368 114.8 21.2-120.2-109.2 18.7 19.9 12.5 23 268 A R S > S- 0 0 183 14,-0.5 3,-2.0 1,-0.1 -1,-0.4 -0.388 84.9 -94.8 -72.7 144.5 16.1 18.7 10.1 24 269 A L T 3 S+ 0 0 64 1,-0.3 -1,-0.1 2,-0.1 -7,-0.1 -0.329 108.7 6.5 -58.2 132.0 15.7 15.0 9.3 25 270 A K T 3> S+ 0 0 62 -9,-0.1 4,-2.4 -3,-0.1 -1,-0.3 0.544 88.7 126.6 71.1 11.0 17.6 14.0 6.1 26 271 A S T <4 + 0 0 10 -3,-2.0 5,-0.2 1,-0.2 -2,-0.1 0.770 69.8 54.7 -69.8 -26.6 19.2 17.5 5.8 27 272 A Y T 4 S+ 0 0 34 -4,-0.3 3,-0.2 1,-0.1 -1,-0.2 0.884 115.8 38.1 -71.7 -39.1 22.7 16.1 5.6 28 273 A E T 4 S+ 0 0 134 1,-0.2 2,-0.8 2,-0.0 -2,-0.2 0.826 119.3 47.2 -80.1 -36.8 21.7 13.8 2.7 29 274 A N S < S- 0 0 102 -4,-2.4 2,-0.6 2,-0.1 -1,-0.2 -0.854 82.1-165.9-112.1 92.0 19.4 16.3 0.9 30 275 A Q + 0 0 57 -2,-0.8 -3,-0.1 -3,-0.2 -4,-0.1 -0.722 17.1 160.7 -89.0 115.0 21.4 19.5 0.8 31 276 A K - 0 0 121 -2,-0.6 37,-0.1 -5,-0.2 -2,-0.1 -0.998 34.4 -82.1-135.2 131.1 19.6 22.7 -0.0 32 277 A P S S+ 0 0 48 0, 0.0 2,-0.1 0, 0.0 37,-0.1 -0.253 90.9 69.1 -70.2 163.6 20.7 26.2 0.7 33 278 A P - 0 0 103 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.455 69.9-162.0 -75.1 146.0 20.9 28.4 2.6 34 279 A F + 0 0 24 34,-0.5 2,-0.2 -2,-0.1 237,-0.2 -0.826 27.3 133.0 -99.9 134.5 23.4 26.5 4.7 35 280 A D - 0 0 77 3,-1.1 3,-0.1 -2,-0.4 237,-0.1 -0.772 69.6 -53.7-154.3-163.2 24.0 27.6 8.3 36 281 A A S S+ 0 0 37 1,-0.2 -15,-0.1 -2,-0.2 -2,-0.0 0.868 134.9 39.5 -57.1 -40.6 24.3 26.2 11.9 37 282 A K S S+ 0 0 170 1,-0.3 -14,-0.5 -15,-0.1 -1,-0.2 0.744 128.6 33.4 -82.6 -21.9 21.0 24.3 11.7 38 283 A N S S- 0 0 31 -3,-0.1 -3,-1.1 -16,-0.1 -1,-0.3 -0.641 86.7-171.1-130.2 70.6 21.5 23.2 8.1 39 284 A P - 0 0 0 0, 0.0 2,-0.4 0, 0.0 231,-0.2 -0.271 23.7-117.3 -66.4 151.7 25.3 22.7 7.8 40 285 A F E -D 269 0B 24 229,-2.5 229,-2.5 -10,-0.1 2,-1.3 -0.769 18.1-133.7 -89.8 131.0 26.9 22.2 4.4 41 286 A L E -D 268 0B 27 -2,-0.4 2,-0.4 227,-0.2 -11,-0.1 -0.731 29.5-162.2 -87.2 96.2 28.7 18.8 4.0 42 287 A A E -D 267 0B 0 225,-2.4 225,-2.4 -2,-1.3 2,-0.3 -0.645 15.4-124.7 -83.8 132.3 31.9 20.0 2.4 43 288 A A E -DE 266 64B 24 21,-0.9 21,-3.2 -2,-0.4 2,-0.8 -0.584 20.4-126.5 -77.7 134.0 34.1 17.4 0.6 44 289 A V E + E 0 63B 3 221,-3.0 221,-0.4 -2,-0.3 19,-0.2 -0.728 34.1 172.0 -80.9 109.8 37.6 17.3 1.9 45 290 A T E + 0 0 68 17,-2.3 2,-0.3 -2,-0.8 -1,-0.2 0.718 67.4 25.9 -92.6 -21.8 39.7 17.8 -1.3 46 291 A T E + E 0 62B 39 16,-1.1 16,-2.1 2,-0.0 2,-0.3 -0.998 53.8 168.2-143.1 136.1 43.1 18.1 0.5 47 292 A N E + E 0 61B 41 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.823 24.7 160.8-146.8 100.2 44.3 16.8 3.9 48 293 A R E - E 0 60B 89 12,-2.6 12,-2.8 -2,-0.3 2,-0.3 -0.951 41.9-110.6-132.4 151.0 48.1 17.1 4.2 49 294 A K E - E 0 59B 91 -2,-0.3 10,-0.3 10,-0.2 -2,-0.0 -0.586 25.2-173.7 -76.3 128.9 50.7 17.2 7.0 50 295 A L + 0 0 15 8,-3.2 284,-0.2 -2,-0.3 9,-0.2 0.804 57.2 79.2 -93.0 -35.5 52.3 20.6 7.5 51 296 A N - 0 0 9 7,-0.9 279,-0.2 1,-0.1 277,-0.1 -0.456 64.0-148.1 -81.1 151.2 55.0 19.9 10.0 52 297 A Q S S+ 0 0 86 277,-0.8 278,-0.2 -2,-0.1 277,-0.2 0.835 77.7 64.0 -82.0 -38.1 58.4 18.3 9.1 53 298 A G S S- 0 0 10 276,-2.5 276,-0.1 1,-0.1 -2,-0.1 -0.025 75.4-131.5 -80.0-174.7 58.8 16.5 12.4 54 299 A T S S+ 0 0 121 3,-0.1 -1,-0.1 1,-0.1 275,-0.0 0.253 79.8 99.0-121.3 7.5 56.9 13.7 14.1 55 300 A E S S- 0 0 143 274,-0.1 2,-0.2 1,-0.0 -1,-0.1 0.935 101.5 -4.7 -59.9 -45.9 56.6 15.3 17.6 56 301 A R S S- 0 0 75 273,-0.1 2,-0.5 2,-0.0 178,-0.1 -0.749 74.0-112.8-136.0-179.4 53.0 16.4 16.7 57 302 A H + 0 0 26 176,-0.4 176,-3.0 -2,-0.2 2,-0.5 -0.968 29.2 178.1-126.6 113.7 50.7 16.4 13.7 58 303 A L E - F 0 232B 2 -2,-0.5 -8,-3.2 174,-0.2 -7,-0.9 -0.958 16.0-168.0-113.7 133.6 49.8 19.7 12.2 59 304 A M E -EF 49 231B 0 172,-3.0 172,-2.1 -2,-0.5 2,-0.5 -0.888 23.5-148.3-130.6 158.1 47.6 19.6 9.2 60 305 A H E -EF 48 230B 5 -12,-2.8 -12,-2.6 -2,-0.3 2,-0.4 -0.986 22.3-176.0-121.3 122.1 46.2 21.6 6.3 61 306 A L E -EF 47 229B 0 168,-2.6 168,-2.4 -2,-0.5 2,-0.5 -0.923 14.5-155.7-120.7 148.3 42.7 20.8 5.0 62 307 A E E -EF 46 228B 45 -16,-2.1 -17,-2.3 -2,-0.4 -16,-1.1 -0.990 11.2-157.8-124.0 121.1 40.8 22.2 2.1 63 308 A L E -EF 44 227B 0 164,-2.8 164,-2.4 -2,-0.5 2,-0.7 -0.897 14.2-134.4-105.0 121.3 37.0 21.9 2.2 64 309 A D E +EF 43 226B 55 -21,-3.2 -21,-0.9 -2,-0.6 162,-0.2 -0.609 28.8 170.2 -76.4 110.5 35.0 22.2 -1.1 65 310 A I > + 0 0 1 160,-1.9 3,-2.0 -2,-0.7 5,-0.4 0.102 23.1 148.4-107.6 22.1 32.1 24.5 -0.6 66 311 A S T 3 S+ 0 0 43 159,-0.6 159,-0.0 1,-0.3 -2,-0.0 -0.268 70.9 12.8 -55.8 140.6 31.2 24.6 -4.3 67 312 A D T 3 S+ 0 0 156 1,-0.1 -1,-0.3 3,-0.1 158,-0.0 0.537 98.6 105.1 68.4 8.7 27.5 25.0 -4.9 68 313 A S S < S- 0 0 2 -3,-2.0 -34,-0.5 2,-0.1 -2,-0.1 0.684 76.3-139.8 -89.6 -20.0 26.8 25.9 -1.3 69 314 A K + 0 0 176 -4,-0.4 2,-0.3 1,-0.3 -3,-0.1 0.571 49.0 153.6 68.9 9.8 26.3 29.6 -2.0 70 315 A I - 0 0 25 -5,-0.4 2,-0.3 -37,-0.0 -1,-0.3 -0.522 29.4-158.4 -73.9 134.5 28.3 30.2 1.2 71 316 A R + 0 0 227 -2,-0.3 2,-0.3 -3,-0.1 200,-0.1 -0.861 18.6 161.3-112.5 145.5 30.2 33.5 1.5 72 317 A Y - 0 0 6 -2,-0.3 2,-0.3 152,-0.1 148,-0.1 -0.971 23.0-147.5-155.7 165.5 33.2 34.1 3.7 73 318 A E > - 0 0 68 -2,-0.3 3,-2.5 146,-0.1 143,-0.1 -0.972 41.3 -86.4-136.5 151.1 36.1 36.5 4.2 74 319 A S T 3 S+ 0 0 3 -2,-0.3 204,-0.3 1,-0.3 145,-0.1 -0.343 118.4 41.2 -54.8 134.3 39.6 35.9 5.5 75 320 A G T 3 S+ 0 0 0 141,-0.6 201,-0.3 1,-0.5 -1,-0.3 0.055 90.0 114.4 111.0 -24.6 39.3 36.4 9.3 76 321 A D < - 0 0 5 -3,-2.5 140,-2.0 198,-0.1 -1,-0.5 -0.230 62.9-121.7 -72.5 167.7 36.0 34.5 9.6 77 322 A H E -GH 215 272B 21 195,-2.3 195,-2.7 138,-0.2 2,-0.5 -0.845 11.1-146.1-112.6 150.0 35.7 31.2 11.4 78 323 A V E -GH 214 271B 0 136,-3.0 136,-2.2 -2,-0.3 2,-0.4 -0.965 13.1-154.1-115.4 130.5 34.5 27.8 10.1 79 324 A A E -GH 213 270B 0 191,-3.1 191,-1.6 -2,-0.5 2,-0.4 -0.829 8.5-166.0-102.6 142.8 32.6 25.6 12.5 80 325 A V E -GH 212 269B 0 132,-2.2 132,-2.1 -2,-0.4 189,-0.2 -0.982 18.3-141.6-130.1 140.7 32.5 21.8 12.0 81 326 A Y - 0 0 32 187,-2.1 130,-0.1 -2,-0.4 129,-0.1 -0.895 34.7-161.3-100.3 105.1 30.2 19.2 13.7 82 327 A P - 0 0 4 0, 0.0 2,-0.4 0, 0.0 166,-0.1 -0.098 11.7-129.3 -81.0-179.8 32.6 16.3 14.4 83 328 A A - 0 0 10 164,-0.3 48,-0.2 165,-0.1 47,-0.1 -0.983 23.7-115.5-131.0 141.5 32.0 12.6 15.1 84 329 A N - 0 0 8 46,-2.9 2,-0.2 -2,-0.4 50,-0.0 -0.332 48.1 -80.0 -71.6 158.8 33.5 10.6 17.9 85 330 A D > - 0 0 91 1,-0.2 4,-2.0 160,-0.1 3,-0.5 -0.419 35.1-141.8 -61.4 125.1 35.9 7.7 17.3 86 331 A S H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.821 100.6 57.2 -59.4 -33.5 33.9 4.6 16.2 87 332 A A H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.873 106.9 48.5 -66.5 -37.1 36.2 2.4 18.2 88 333 A L H > S+ 0 0 19 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.903 110.5 50.3 -68.9 -42.0 35.5 4.3 21.3 89 334 A V H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.927 110.4 51.1 -61.0 -43.5 31.7 4.1 20.7 90 335 A N H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.908 107.3 52.6 -60.6 -43.6 32.0 0.4 20.2 91 336 A Q H X S+ 0 0 94 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.866 108.2 51.6 -61.2 -37.8 33.9 -0.0 23.5 92 337 A L H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 6,-0.2 0.930 109.8 48.0 -65.8 -45.5 31.2 1.8 25.3 93 338 A G H X>S+ 0 0 3 -4,-2.2 5,-2.4 1,-0.2 4,-0.9 0.914 113.9 49.3 -60.9 -41.1 28.5 -0.4 23.9 94 339 A K H ><5S+ 0 0 180 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.951 111.1 45.7 -62.9 -54.0 30.5 -3.5 24.8 95 340 A I H 3<5S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.777 115.5 48.7 -65.0 -25.1 31.3 -2.6 28.4 96 341 A L H 3<5S- 0 0 10 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.630 106.5-127.5 -87.7 -14.6 27.7 -1.6 29.0 97 342 A G T <<5 + 0 0 52 -4,-0.9 2,-0.3 -3,-0.9 -3,-0.2 0.814 60.4 146.1 70.9 31.2 26.4 -4.8 27.4 98 343 A A < - 0 0 29 -5,-2.4 2,-1.0 -6,-0.2 -1,-0.2 -0.759 57.4-126.5-107.7 149.3 24.2 -2.7 25.2 99 344 A D > - 0 0 101 -2,-0.3 3,-1.4 1,-0.2 26,-0.3 -0.813 23.5-166.2 -90.6 102.1 22.9 -3.2 21.6 100 345 A L T 3 S+ 0 0 7 -2,-1.0 26,-2.8 1,-0.3 25,-0.4 0.656 79.3 65.8 -65.3 -18.3 24.0 0.1 20.1 101 346 A D T 3 + 0 0 95 24,-0.2 -1,-0.3 23,-0.2 2,-0.2 0.439 69.8 117.7 -88.0 2.8 21.9 -0.4 17.0 102 347 A V < - 0 0 40 -3,-1.4 23,-1.3 1,-0.0 2,-0.4 -0.521 60.5-140.4 -68.6 131.0 18.6 -0.2 18.8 103 348 A V E + C 0 124A 28 -95,-0.4 -95,-2.5 -2,-0.2 2,-0.3 -0.817 37.5 144.1 -96.8 135.2 16.6 2.8 17.5 104 349 A M E -AC 7 123A 0 19,-2.8 19,-2.4 -2,-0.4 2,-0.4 -0.923 40.0-125.3-156.6 178.4 14.7 4.8 20.1 105 350 A S E -A 6 0A 8 -99,-2.0 -99,-2.5 -2,-0.3 2,-0.6 -0.990 10.2-149.3-135.0 142.1 13.5 8.2 21.3 106 351 A L E -A 5 0A 0 -2,-0.4 2,-0.4 13,-0.2 13,-0.2 -0.975 25.1-164.9-111.1 115.6 14.0 9.8 24.7 107 352 A N E -A 4 0A 42 -103,-2.7 -103,-2.7 -2,-0.6 10,-0.2 -0.902 24.0-108.6-110.8 133.3 10.9 12.0 25.3 108 353 A N E -A 3 0A 16 8,-2.2 -105,-0.3 -2,-0.4 -106,-0.1 -0.298 16.6-141.7 -58.5 128.5 10.6 14.7 28.0 109 354 A L S S+ 0 0 90 -107,-2.9 2,-1.1 1,-0.2 -1,-0.2 0.744 95.1 74.2 -63.4 -22.4 8.3 13.7 30.8 110 355 A D S > S- 0 0 80 -108,-0.5 3,-1.7 5,-0.2 -1,-0.2 -0.798 71.3-168.5 -93.2 95.1 7.1 17.3 30.8 111 356 A E T 3 S+ 0 0 189 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.640 83.4 56.9 -60.3 -15.6 5.0 17.2 27.6 112 357 A E T 3 S+ 0 0 176 -3,-0.1 -1,-0.3 3,-0.0 4,-0.1 0.627 81.6 110.7 -91.8 -14.1 4.8 21.0 27.6 113 358 A S < - 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C 0 103A 11 -107,-0.6 4,-2.5 -2,-0.3 -21,-0.2 -0.515 31.3-117.3 -88.6 161.4 20.1 4.7 17.5 125 370 A Y H > S+ 0 0 12 -23,-1.3 4,-2.9 -25,-0.4 5,-0.2 0.889 117.3 56.5 -62.7 -36.8 22.4 4.7 20.6 126 371 A R H > S+ 0 0 75 -26,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.936 108.9 45.3 -59.8 -46.7 25.3 4.3 18.2 127 372 A T H >>S+ 0 0 10 -27,-0.3 4,-2.9 2,-0.2 5,-0.7 0.912 113.0 50.3 -64.2 -42.7 24.3 7.5 16.3 128 373 A A H X>S+ 0 0 0 -4,-2.5 5,-1.6 1,-0.2 4,-1.6 0.939 113.4 44.9 -61.8 -46.5 23.7 9.4 19.5 129 374 A L H <5S+ 0 0 1 -4,-2.9 -1,-0.2 3,-0.2 -2,-0.2 0.764 118.3 45.3 -69.1 -24.9 27.1 8.4 21.0 130 375 A T H <5S+ 0 0 17 -4,-1.6 -46,-2.9 -5,-0.2 -2,-0.2 0.916 132.2 9.1 -84.7 -44.6 28.8 9.2 17.7 131 376 A Y H <5S+ 0 0 88 -4,-2.9 -3,-0.2 -48,-0.2 -2,-0.2 0.648 129.5 39.3-112.9 -21.2 27.3 12.5 16.7 132 377 A Y T <> - 0 0 145 1,-0.1 4,-1.7 -3,-0.1 3,-0.9 -0.347 29.0-104.7 -74.9 160.6 30.7 16.6 35.7 141 386 A T H 3> S+ 0 0 60 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.840 119.7 60.1 -55.2 -36.2 30.0 15.7 39.4 142 387 A N H 3> S+ 0 0 82 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.864 103.4 50.9 -62.4 -35.6 26.2 15.6 38.7 143 388 A V H <> S+ 0 0 2 -3,-0.9 4,-1.9 1,-0.2 -1,-0.2 0.935 110.2 48.9 -66.8 -44.6 26.7 12.8 36.2 144 389 A L H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.862 107.3 57.7 -61.6 -35.9 28.8 10.8 38.7 145 390 A Y H < S+ 0 0 157 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.940 110.7 40.8 -59.8 -49.4 26.1 11.4 41.3 146 391 A E H < S+ 0 0 66 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.777 113.7 54.6 -71.1 -27.8 23.4 9.7 39.1 147 392 A L H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 -1,-0.2 0.791 87.5 78.9 -77.5 -28.3 25.8 7.0 38.0 148 393 A A G >< S+ 0 0 3 -4,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.839 83.2 64.0 -48.7 -41.4 26.7 5.8 41.5 149 394 A Q G 3 S+ 0 0 108 -4,-0.5 -1,-0.3 -3,-0.3 -2,-0.1 0.727 98.2 57.4 -57.5 -22.7 23.4 3.9 41.9 150 395 A Y G < S+ 0 0 59 -3,-2.2 46,-2.6 -4,-0.2 2,-0.8 0.341 80.2 96.4 -94.3 6.6 24.5 1.6 39.1 151 396 A A B < -J 195 0D 2 -3,-2.0 44,-0.2 44,-0.3 6,-0.2 -0.878 53.4-169.8 -98.2 111.4 27.8 0.4 40.6 152 397 A S + 0 0 102 42,-1.4 -1,-0.1 -2,-0.8 43,-0.1 0.629 65.6 84.7 -77.3 -16.1 27.0 -2.9 42.4 153 398 A E S >> S- 0 0 84 1,-0.2 4,-2.3 39,-0.1 3,-0.8 -0.805 76.6-144.4 -87.7 115.0 30.4 -3.1 44.2 154 399 A P H 3> S+ 0 0 76 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.870 96.9 54.6 -46.6 -46.2 29.9 -1.1 47.4 155 400 A S H 3> S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.876 111.1 46.1 -58.7 -38.0 33.4 0.3 47.4 156 401 A E H <> S+ 0 0 32 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.887 111.4 50.2 -72.8 -38.8 33.0 1.6 43.8 157 402 A Q H X S+ 0 0 63 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.911 111.7 50.5 -63.7 -39.9 29.6 3.1 44.6 158 403 A E H X S+ 0 0 114 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.905 109.0 50.9 -62.4 -43.7 31.2 4.8 47.6 159 404 A L H X S+ 0 0 55 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.931 112.5 45.7 -60.7 -47.8 34.0 6.1 45.4 160 405 A L H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.906 113.6 48.5 -64.1 -42.6 31.6 7.6 42.9 161 406 A R H X S+ 0 0 154 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.891 111.2 52.3 -64.7 -38.3 29.4 9.2 45.6 162 407 A K H >< S+ 0 0 79 -4,-2.5 3,-0.9 1,-0.2 5,-0.3 0.936 109.9 46.2 -63.3 -48.8 32.4 10.6 47.3 163 408 A M H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.720 113.6 50.7 -68.5 -19.8 33.8 12.3 44.2 164 409 A A H 3< S+ 0 0 17 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.574 99.3 87.1 -91.7 -11.5 30.3 13.7 43.4 165 410 A S S << S- 0 0 46 -3,-0.9 -3,-0.0 -4,-0.8 -24,-0.0 -0.228 82.6-121.8 -83.4 175.0 29.9 15.1 46.9 166 411 A S + 0 0 97 4,-0.1 -1,-0.1 5,-0.0 -3,-0.1 0.145 67.3 128.1-102.1 16.9 30.9 18.4 48.3 167 412 A S S > S- 0 0 53 -5,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.349 70.7-114.5 -71.2 156.6 33.1 16.9 51.0 168 413 A G H > S+ 0 0 59 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.946 116.6 38.8 -56.7 -53.5 36.7 18.2 51.3 169 414 A E H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.806 112.6 59.8 -68.6 -29.0 38.4 14.9 50.4 170 415 A G H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.919 104.5 48.0 -64.9 -44.3 35.7 14.3 47.8 171 416 A K H X S+ 0 0 123 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.884 112.2 49.5 -64.2 -38.7 36.5 17.5 45.9 172 417 A E H X S+ 0 0 129 -4,-1.5 4,-2.2 -5,-0.2 5,-0.2 0.868 111.3 49.4 -68.7 -35.8 40.2 16.7 45.9 173 418 A L H X>S+ 0 0 39 -4,-2.1 4,-3.5 2,-0.2 5,-0.5 0.908 111.2 48.8 -69.6 -41.7 39.5 13.1 44.7 174 419 A Y H X>S+ 0 0 40 -4,-2.4 5,-2.0 3,-0.2 4,-2.0 0.936 112.1 49.9 -62.2 -45.4 37.3 14.4 41.8 175 420 A L H <>S+ 0 0 66 -4,-2.3 5,-3.2 3,-0.2 6,-0.2 0.906 121.9 32.5 -59.7 -44.3 40.0 17.0 40.9 176 421 A S H <>S+ 0 0 68 -4,-2.2 5,-0.7 3,-0.2 -2,-0.2 0.927 126.5 37.7 -79.8 -47.6 42.7 14.4 40.8 177 422 A W H <5S+ 0 0 42 -4,-3.5 6,-0.2 -5,-0.2 -3,-0.2 0.836 132.1 17.9 -77.3 -37.3 40.9 11.3 39.7 178 423 A V T - 0 0 18 -2,-0.6 4,-2.1 -46,-0.2 5,-0.2 -0.318 40.4 -85.4 -88.0 178.0 36.3 10.1 30.2 185 430 A I H > S+ 0 0 2 -48,-0.4 4,-2.3 -50,-0.2 5,-0.2 0.886 128.7 50.5 -56.2 -41.1 33.2 8.0 30.6 186 431 A L H > S+ 0 0 6 -51,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.921 108.6 52.5 -63.2 -42.2 34.8 4.9 29.2 187 432 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.890 110.4 48.2 -60.0 -40.0 37.8 5.2 31.6 188 433 A I H X S+ 0 0 0 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.915 111.0 50.3 -67.4 -41.5 35.5 5.5 34.6 189 434 A L H < S+ 0 0 2 -4,-2.3 6,-0.3 -5,-0.2 -2,-0.2 0.857 113.7 46.3 -64.4 -34.6 33.5 2.5 33.4 190 435 A Q H < S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.894 114.4 45.7 -74.9 -39.8 36.7 0.5 33.1 191 436 A D H < S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.630 120.6 39.9 -79.0 -14.9 38.2 1.6 36.4 192 437 A C S >< S+ 0 0 1 -4,-1.4 3,-2.3 -5,-0.2 -1,-0.3 -0.671 75.9 176.5-130.1 70.9 34.9 0.9 38.2 193 438 A P T 3 S+ 0 0 94 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.577 71.9 65.3 -55.7 -14.6 33.9 -2.3 36.4 194 439 A S T 3 S+ 0 0 19 -41,-0.1 -42,-1.4 -3,-0.1 2,-0.6 0.587 75.2 107.6 -85.4 -8.9 30.8 -2.9 38.6 195 440 A L B < +J 151 0D 6 -3,-2.3 -44,-0.3 -6,-0.3 -3,-0.1 -0.583 38.7 163.0 -72.8 112.6 29.3 0.3 37.1 196 441 A R + 0 0 153 -46,-2.6 -1,-0.1 -2,-0.6 -100,-0.1 -0.586 8.7 174.9-133.0 71.4 26.5 -0.9 34.7 197 442 A P - 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