==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-AUG-07 2QTL . COMPND 2 MOLECULE: METHIONINE SYNTHASE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.R.WOLTHERS,X.LOU,H.S.TOOGOOD,D.LEYS,N.S.SCRUTTON . 447 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 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 . 0 0.0 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 . 27 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.5 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 5 1 2 2 1 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 4 0 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 2 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 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 1 217 A S 0 0 174 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.6 32.4 -2.4 66.6 2 218 A N - 0 0 143 1,-0.0 2,-0.8 2,-0.0 0, 0.0 -0.607 360.0-116.6 -98.7 149.6 34.5 0.2 68.5 3 219 A V - 0 0 131 -2,-0.2 2,-0.5 2,-0.0 -1,-0.0 -0.772 40.3-177.3 -80.1 111.7 36.2 3.3 67.3 4 220 A V - 0 0 123 -2,-0.8 2,-0.4 0, 0.0 -2,-0.0 -0.978 7.1-164.6-118.1 124.2 39.9 2.5 68.1 5 221 A I - 0 0 110 -2,-0.5 2,-0.1 4,-0.0 -2,-0.0 -0.907 16.4-127.1-114.7 130.9 42.5 5.1 67.3 6 222 A E > - 0 0 118 -2,-0.4 3,-1.9 1,-0.1 -1,-0.0 -0.358 25.6-108.5 -79.9 160.9 46.3 4.4 67.2 7 223 A D T 3 S+ 0 0 134 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.730 114.6 54.1 -62.7 -26.7 48.9 6.2 69.2 8 224 A F T 3 S+ 0 0 138 8,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.526 81.1 112.1 -87.0 -5.9 50.3 8.1 66.2 9 225 A E < - 0 0 81 -3,-1.9 2,-0.2 6,-0.1 -4,-0.0 -0.584 44.9-172.4 -82.6 112.7 47.0 9.6 65.0 10 226 A S + 0 0 25 -2,-0.7 2,-0.3 3,-0.0 5,-0.2 -0.644 15.3 152.7 -94.5 157.8 46.7 13.3 65.3 11 227 A S B > -A 14 0A 44 3,-2.5 3,-1.0 -2,-0.2 176,-0.1 -0.877 63.0 -64.3-163.9-179.1 43.4 15.2 64.7 12 228 A L T 3 S+ 0 0 17 -2,-0.3 163,-0.1 1,-0.2 175,-0.1 0.897 135.6 38.3 -46.5 -44.2 41.6 18.3 65.8 13 229 A T T 3 S+ 0 0 68 1,-0.1 2,-0.4 174,-0.0 -1,-0.2 0.534 116.9 51.5 -89.9 -6.5 41.4 17.0 69.4 14 230 A R B < -A 11 0A 89 -3,-1.0 -3,-2.5 157,-0.1 2,-0.2 -0.973 57.2-167.1-144.6 121.5 44.9 15.4 69.6 15 231 A S - 0 0 16 -2,-0.4 -6,-0.1 -5,-0.2 -3,-0.0 -0.626 9.9-152.1 -94.3 163.0 48.4 16.4 68.9 16 232 A V > - 0 0 43 -2,-0.2 4,-1.7 1,-0.1 3,-0.5 -0.745 46.4 -30.6-119.1 169.3 51.5 14.2 68.7 17 233 A P T 4 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.373 118.7 27.0 -57.0 145.2 55.2 15.1 69.4 18 234 A P T >> S+ 0 0 112 0, 0.0 3,-1.3 0, 0.0 4,-0.9 -0.975 128.5 40.6 -80.8 -23.8 56.7 17.7 69.2 19 235 A L G >4 S+ 0 0 15 -3,-0.5 3,-0.8 1,-0.3 160,-0.1 0.859 110.1 58.7 -59.2 -40.2 53.6 19.9 69.6 20 236 A S G 3< S+ 0 0 35 -4,-1.7 -1,-0.3 1,-0.3 -5,-0.0 0.753 117.0 33.5 -60.5 -27.3 52.1 17.8 72.4 21 237 A Q G <4 S+ 0 0 164 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.427 96.4 120.9-109.3 0.6 55.1 18.3 74.6 22 238 A A << - 0 0 25 -4,-0.9 2,-0.4 -3,-0.8 -3,-0.0 -0.240 67.5-117.2 -68.0 145.8 56.0 21.8 73.5 23 239 A S - 0 0 109 1,-0.0 2,-0.4 156,-0.0 156,-0.1 -0.728 43.6-131.4 -73.6 132.4 56.3 25.0 75.6 24 240 A L - 0 0 32 -2,-0.4 2,-0.8 154,-0.1 150,-0.1 -0.752 20.2-156.4-104.6 134.9 53.6 27.3 74.3 25 241 A N - 0 0 109 -2,-0.4 153,-2.1 149,-0.1 154,-0.1 -0.892 29.5-170.6 -99.1 100.8 53.7 30.9 73.3 26 242 A I - 0 0 63 -2,-0.8 151,-0.1 151,-0.2 3,-0.1 -0.739 21.3-115.2 -98.7 132.9 50.0 31.7 73.8 27 243 A P - 0 0 53 0, 0.0 -1,-0.1 0, 0.0 149,-0.0 -0.262 42.0 -89.6 -63.7 156.4 48.5 35.1 72.6 28 244 A G - 0 0 68 1,-0.1 130,-0.1 130,-0.0 129,-0.1 -0.304 48.9 -97.7 -63.4 149.2 47.1 37.5 75.2 29 245 A L - 0 0 80 128,-0.1 -1,-0.1 -3,-0.1 126,-0.1 -0.536 37.9-116.1 -72.6 126.8 43.5 37.2 76.1 30 246 A P - 0 0 29 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.335 35.8-107.6 -58.2 142.2 41.1 39.6 74.2 31 247 A P - 0 0 62 0, 0.0 89,-0.1 0, 0.0 127,-0.0 -0.644 31.1-130.6 -79.6 123.8 39.4 42.0 76.6 32 248 A E + 0 0 51 -2,-0.5 89,-0.5 1,-0.1 90,-0.4 -0.346 37.7 159.8 -66.0 150.7 35.7 41.1 77.1 33 249 A Y + 0 0 31 87,-0.1 84,-2.6 177,-0.1 2,-0.3 0.469 36.5 97.4-147.5 -20.6 33.4 44.1 76.7 34 250 A L E -B 116 0B 0 82,-0.2 2,-0.5 176,-0.1 82,-0.2 -0.627 46.7-164.2 -87.2 139.0 29.8 42.9 75.9 35 251 A Q E -B 115 0B 52 80,-2.6 80,-2.1 -2,-0.3 2,-0.4 -0.986 13.1-164.5-118.2 123.4 27.1 42.5 78.6 36 252 A V E -B 114 0B 30 -2,-0.5 2,-0.4 78,-0.2 78,-0.2 -0.917 11.1-176.1-114.3 132.5 24.1 40.4 77.4 37 253 A H E -B 113 0B 94 76,-2.3 76,-2.9 -2,-0.4 2,-0.8 -0.996 19.7-142.8-121.5 135.8 20.7 40.2 79.1 38 254 A L E -B 112 0B 56 -2,-0.4 2,-0.6 74,-0.2 74,-0.2 -0.875 21.3-160.6 -95.8 106.5 18.0 37.8 77.7 39 255 A Q E -B 111 0B 103 72,-3.1 72,-3.2 -2,-0.8 2,-0.2 -0.802 12.8-134.5 -96.5 123.0 14.7 39.6 78.0 40 256 A E 0 0 145 -2,-0.6 70,-0.1 70,-0.2 67,-0.0 -0.536 360.0 360.0 -69.1 134.3 11.4 37.5 78.0 41 257 A S 0 0 114 68,-0.2 -1,-0.1 -2,-0.2 69,-0.1 0.326 360.0 360.0-128.6 360.0 8.9 39.2 75.6 42 ! 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 43 272 A P 0 0 148 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 61.3 16.3 49.6 50.0 44 273 A V - 0 0 77 237,-0.1 2,-0.4 235,-0.0 237,-0.2 -0.818 360.0-153.0-108.7 140.4 15.6 45.8 50.2 45 274 A F E -D 280 0C 35 235,-3.5 235,-2.6 -2,-0.3 2,-0.6 -0.970 6.1-148.3-117.0 126.2 13.0 44.0 47.9 46 275 A Q E +D 279 0C 141 -2,-0.4 233,-0.2 233,-0.2 231,-0.0 -0.862 28.4 177.2 -92.9 120.7 11.1 40.9 48.8 47 276 A V E -D 278 0C 1 231,-2.9 231,-2.4 -2,-0.6 24,-0.1 -0.963 26.1-121.7-128.1 139.5 10.5 38.9 45.6 48 277 A P E -D 277 0C 41 0, 0.0 22,-2.4 0, 0.0 2,-0.7 -0.465 23.1-121.5 -74.6 148.1 8.8 35.5 44.9 49 278 A I E +G 69 0D 1 227,-2.9 20,-0.2 20,-0.2 3,-0.1 -0.876 33.0 177.4 -84.5 115.4 10.7 32.7 43.2 50 279 A S E + 0 0 53 18,-1.6 2,-0.3 -2,-0.7 19,-0.2 0.602 61.4 6.8 -95.4 -18.6 8.5 32.0 40.1 51 280 A K E -G 68 0D 107 17,-1.1 17,-3.0 2,-0.0 2,-0.3 -0.975 54.3-173.4-159.0 151.0 10.6 29.3 38.4 52 281 A A E -G 67 0D 7 219,-0.5 2,-0.4 -2,-0.3 15,-0.2 -0.967 8.3-169.0-146.6 143.8 13.7 27.1 39.0 53 282 A V E -G 66 0D 50 13,-2.7 13,-2.8 -2,-0.3 2,-0.7 -0.996 22.6-133.5-135.4 130.1 15.4 24.8 36.6 54 283 A Q E -G 65 0D 71 -2,-0.4 11,-0.2 218,-0.2 4,-0.1 -0.776 22.5-173.8 -78.9 115.9 18.2 22.2 37.2 55 284 A L + 0 0 45 9,-2.8 2,-0.2 -2,-0.7 10,-0.2 0.704 60.0 65.2 -86.0 -20.9 20.6 22.8 34.3 56 285 A T S S- 0 0 6 8,-0.9 288,-0.2 1,-0.1 287,-0.1 -0.666 89.4-101.0-103.0 158.1 22.9 19.9 34.9 57 286 A T > - 0 0 57 286,-2.2 3,-1.8 -2,-0.2 -1,-0.1 -0.273 40.6-102.5 -69.0 163.5 22.3 16.1 34.6 58 287 A N T 3 S+ 0 0 156 1,-0.3 -1,-0.1 -4,-0.1 285,-0.1 0.668 121.1 52.0 -59.3 -20.6 21.7 14.2 37.8 59 288 A D T 3 S+ 0 0 93 284,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.264 77.0 122.8-104.5 10.4 25.3 12.8 37.7 60 289 A A < - 0 0 15 -3,-1.8 -4,-0.1 283,-0.2 3,-0.0 -0.480 65.0-133.9 -66.8 142.6 27.0 16.1 37.4 61 290 A I S S+ 0 0 126 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.904 96.0 41.3 -68.3 -37.7 29.5 16.6 40.2 62 291 A K S S- 0 0 93 182,-0.0 2,-0.5 180,-0.0 -1,-0.2 -0.946 84.9-137.1-111.8 130.1 28.3 20.1 40.8 63 292 A T - 0 0 42 -2,-0.5 180,-3.0 180,-0.4 2,-0.5 -0.790 19.0-161.6 -87.1 121.2 24.5 20.9 40.6 64 293 A T E - H 0 242D 4 -2,-0.5 -9,-2.8 178,-0.3 -8,-0.9 -0.930 6.8-169.3-105.8 126.2 23.8 24.1 38.7 65 294 A L E -GH 54 241D 4 176,-2.9 176,-2.3 -2,-0.5 2,-0.5 -0.890 16.4-150.3-114.3 142.6 20.4 25.8 39.1 66 295 A L E -GH 53 240D 11 -13,-2.8 -13,-2.7 -2,-0.4 2,-0.4 -0.965 21.3-166.8-102.2 128.1 18.7 28.6 37.2 67 296 A V E -GH 52 239D 0 172,-3.0 172,-2.0 -2,-0.5 2,-0.5 -0.968 7.3-153.8-118.6 132.2 16.4 30.6 39.5 68 297 A E E -GH 51 238D 19 -17,-3.0 -18,-1.6 -2,-0.4 -17,-1.1 -0.934 7.3-162.5-104.3 128.8 13.8 33.1 38.3 69 298 A L E -GH 49 237D 0 168,-3.1 168,-2.1 -2,-0.5 2,-0.9 -0.870 17.9-132.4-107.2 142.1 12.7 36.0 40.5 70 299 A D E + H 0 236D 43 -22,-2.4 3,-0.3 -2,-0.4 166,-0.2 -0.830 30.6 168.9 -96.4 104.2 9.5 37.9 39.8 71 300 A I > + 0 0 9 164,-1.7 3,-1.3 -2,-0.9 5,-0.3 0.200 44.1 109.1 -96.5 13.1 10.4 41.6 40.1 72 301 A S T 3 S+ 0 0 80 163,-0.8 -1,-0.2 1,-0.3 164,-0.1 0.863 74.2 51.6 -67.2 -35.0 7.2 42.9 38.7 73 302 A N T 3 S+ 0 0 159 -3,-0.3 -1,-0.3 162,-0.1 2,-0.3 -0.092 105.7 67.0 -92.7 38.2 5.8 44.3 41.9 74 303 A T S < S- 0 0 40 -3,-1.3 -3,-0.0 2,-0.2 -29,-0.0 -0.845 81.7-123.7-138.1 174.2 8.9 46.3 42.7 75 304 A D + 0 0 136 -2,-0.3 2,-0.2 2,-0.1 -3,-0.1 0.109 66.4 134.4-106.4 23.9 10.7 49.3 41.2 76 305 A F - 0 0 19 -5,-0.3 2,-0.3 206,-0.0 -2,-0.2 -0.481 31.1-179.4 -71.0 134.2 13.9 47.2 40.9 77 306 A S + 0 0 102 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.948 3.8 175.1-132.2 155.2 15.6 47.5 37.6 78 307 A Y - 0 0 9 -2,-0.3 152,-0.4 204,-0.1 6,-0.0 -0.994 20.5-140.8-152.0 162.3 18.8 45.9 36.2 79 308 A Q > - 0 0 98 -2,-0.3 3,-2.1 150,-0.1 147,-0.2 -0.850 47.6 -79.9-119.4 158.3 20.9 45.6 33.1 80 309 A P T 3 S+ 0 0 4 0, 0.0 210,-0.3 0, 0.0 147,-0.1 -0.311 118.9 27.8 -54.9 136.7 22.7 42.5 31.9 81 310 A G T 3 S+ 0 0 0 145,-1.1 207,-0.3 1,-0.3 206,-0.2 0.244 89.8 128.7 92.2 -14.9 25.9 41.9 33.9 82 311 A D < - 0 0 18 -3,-2.1 144,-3.4 204,-0.1 -1,-0.3 -0.263 48.6-142.7 -59.0 157.1 24.7 43.7 37.0 83 312 A A E -E 225 0C 6 142,-0.3 200,-1.2 202,-0.1 2,-0.3 -0.895 14.1-169.3-118.4 157.9 25.0 41.9 40.4 84 313 A F E -EF 224 282C 0 140,-2.2 140,-2.7 -2,-0.3 2,-0.3 -0.952 21.9-115.7-140.0 159.1 22.5 41.9 43.3 85 314 A S E -EF 223 281C 20 196,-3.0 196,-1.5 -2,-0.3 2,-0.5 -0.775 17.2-150.9-102.8 139.5 22.8 40.7 46.9 86 315 A V E -EF 222 280C 0 136,-2.8 136,-2.4 -2,-0.3 2,-0.8 -0.949 11.1-141.1-109.0 129.9 20.7 37.9 48.4 87 316 A I E + F 0 279C 51 192,-2.6 192,-0.5 -2,-0.5 133,-0.1 -0.807 32.1 179.1 -89.4 111.1 19.9 38.0 52.1 88 317 A C - 0 0 3 -2,-0.8 2,-0.2 132,-0.2 172,-0.1 -0.815 19.2-136.8-118.1 154.3 20.2 34.4 53.3 89 318 A P - 0 0 10 0, 0.0 54,-0.2 0, 0.0 174,-0.2 -0.602 25.9-103.5 -99.3 164.0 19.8 32.7 56.7 90 319 A N - 0 0 3 52,-2.3 2,-0.1 -2,-0.2 56,-0.0 -0.376 56.0 -76.9 -71.8 162.1 21.7 29.9 58.4 91 320 A S > - 0 0 45 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.426 33.5-136.1 -57.5 130.8 20.4 26.4 58.4 92 321 A D H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.897 107.6 52.1 -55.1 -41.7 17.6 26.0 61.0 93 322 A S H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 110.0 47.7 -67.2 -38.0 19.2 22.7 62.1 94 323 A E H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.900 112.5 48.6 -63.1 -45.0 22.6 24.4 62.5 95 324 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.933 113.4 48.0 -61.0 -46.4 21.1 27.3 64.6 96 325 A Q H X S+ 0 0 91 -4,-2.6 4,-3.3 1,-0.2 5,-0.2 0.942 112.1 49.2 -60.3 -48.5 19.2 24.7 66.8 97 326 A S H X S+ 0 0 47 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.889 113.3 46.3 -59.2 -43.6 22.3 22.6 67.3 98 327 A L H X S+ 0 0 1 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.917 114.3 45.8 -65.6 -47.3 24.4 25.6 68.3 99 328 A L H <>S+ 0 0 0 -4,-2.6 5,-3.0 2,-0.2 6,-0.7 0.935 113.5 51.7 -62.3 -41.9 21.8 27.1 70.7 100 329 A Q H ><5S+ 0 0 100 -4,-3.3 3,-1.8 -5,-0.2 -2,-0.2 0.949 109.3 50.0 -55.8 -49.2 21.3 23.5 72.1 101 330 A R H 3<5S+ 0 0 34 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.752 110.8 48.9 -61.5 -27.7 25.1 23.2 72.7 102 331 A L T 3<5S- 0 0 21 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.304 115.3-117.3 -90.4 3.0 25.2 26.6 74.4 103 332 A Q T < 5S+ 0 0 152 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.844 87.7 110.7 60.6 39.6 22.3 25.6 76.6 104 333 A L > < + 0 0 23 -5,-3.0 3,-1.9 -6,-0.1 -4,-0.2 0.345 32.2 103.2-122.7 0.2 20.2 28.4 75.1 105 334 A E G > S+ 0 0 33 -6,-0.7 3,-1.4 1,-0.3 4,-0.2 0.857 81.9 54.1 -58.3 -38.2 17.6 26.6 73.0 106 335 A D G 3 S+ 0 0 157 1,-0.3 -1,-0.3 -7,-0.1 3,-0.1 0.529 109.7 49.3 -74.9 -4.0 14.9 27.2 75.6 107 336 A K G X S+ 0 0 51 -3,-1.9 3,-1.7 1,-0.1 30,-0.4 0.138 74.1 116.4-113.0 19.2 15.7 30.9 75.5 108 337 A R T < S+ 0 0 51 -3,-1.4 30,-2.5 1,-0.3 31,-0.3 0.749 76.1 49.1 -66.8 -23.0 15.6 31.2 71.7 109 338 A E T 3 S+ 0 0 130 28,-0.2 -1,-0.3 27,-0.2 -68,-0.2 0.451 87.2 109.0 -96.5 -1.2 12.6 33.6 71.8 110 339 A H S < S- 0 0 42 -3,-1.7 27,-2.1 -70,-0.1 2,-0.3 -0.476 74.9-112.6 -72.7 149.4 14.1 35.9 74.4 111 340 A X E -BC 39 136B 36 -72,-3.2 -72,-3.1 25,-0.2 2,-0.7 -0.663 23.8-130.8 -89.0 133.8 15.2 39.4 73.2 112 341 A V E -B 38 0B 1 23,-2.7 22,-2.2 -2,-0.3 2,-0.5 -0.780 22.5-169.1 -94.6 111.6 18.9 40.0 73.3 113 342 A L E -B 37 0B 73 -76,-2.9 -76,-2.3 -2,-0.7 2,-0.4 -0.905 9.5-161.1-104.6 129.3 19.7 43.3 75.0 114 343 A L E +B 36 0B 25 -2,-0.5 2,-0.3 -78,-0.2 -78,-0.2 -0.906 17.9 158.2-119.9 134.1 23.3 44.4 74.6 115 344 A K E -B 35 0B 122 -80,-2.1 -80,-2.6 -2,-0.4 2,-0.5 -0.883 43.9 -99.5-136.7 172.4 25.4 46.9 76.6 116 345 A I E -B 34 0B 56 -2,-0.3 -82,-0.2 -82,-0.2 11,-0.0 -0.888 46.7-110.3 -94.6 127.3 29.1 47.7 77.2 117 346 A K > - 0 0 47 -84,-2.6 3,-1.2 -2,-0.5 -82,-0.0 -0.270 17.9-134.4 -52.1 132.7 30.3 46.3 80.5 118 347 A A T 3 S+ 0 0 110 1,-0.2 -1,-0.1 -3,-0.0 -2,-0.0 0.848 103.8 46.6 -57.2 -34.5 31.0 49.1 83.0 119 348 A D T 3 S+ 0 0 143 2,-0.0 -1,-0.2 -86,-0.0 2,-0.1 0.151 80.5 137.5-101.9 15.8 34.3 47.4 83.9 120 349 A T < - 0 0 35 -3,-1.2 -87,-0.1 -87,-0.2 5,-0.1 -0.365 44.3-154.8 -70.9 141.1 35.7 46.5 80.5 121 350 A K + 0 0 90 -89,-0.5 2,-0.5 -2,-0.1 -1,-0.1 0.268 62.3 111.3 -95.5 7.8 39.4 47.0 79.7 122 351 A K > - 0 0 79 -90,-0.4 3,-0.7 -92,-0.1 2,-0.3 -0.743 62.3-141.6 -84.5 126.0 38.8 47.4 76.0 123 352 A K T 3 S+ 0 0 117 -2,-0.5 -2,-0.1 1,-0.2 -1,-0.0 -0.682 84.0 14.8 -85.2 140.4 39.4 50.9 74.6 124 353 A G T 3 S+ 0 0 72 -2,-0.3 -1,-0.2 1,-0.2 2,-0.1 0.654 83.8 176.9 71.7 15.9 36.9 52.1 71.9 125 354 A A < + 0 0 23 -3,-0.7 2,-0.3 -5,-0.1 -1,-0.2 -0.332 2.9 173.1 -54.5 121.9 34.4 49.3 72.8 126 355 A T - 0 0 101 -2,-0.1 -11,-0.1 -11,-0.1 3,-0.0 -0.945 39.3 -97.2-129.8 153.2 31.3 49.7 70.6 127 356 A L - 0 0 76 -2,-0.3 2,-0.3 1,-0.1 -11,-0.1 -0.491 52.2 -99.3 -64.2 134.3 28.2 47.5 70.2 128 357 A P > - 0 0 20 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.461 27.2-144.2 -58.5 122.9 28.5 45.3 67.0 129 358 A Q T 3 S+ 0 0 128 -2,-0.3 4,-0.1 1,-0.3 -2,-0.1 0.708 94.3 61.8 -64.3 -23.3 26.5 47.1 64.3 130 359 A H T 3 S+ 0 0 48 1,-0.1 -1,-0.3 2,-0.1 89,-0.2 0.416 86.7 79.1 -87.5 -0.1 25.4 43.8 62.7 131 360 A I S < S- 0 0 13 -3,-1.8 2,-0.2 87,-0.1 -1,-0.1 -0.908 82.2-138.4-107.0 103.8 23.5 42.6 65.9 132 361 A P > - 0 0 46 0, 0.0 3,-1.5 0, 0.0 -20,-0.2 -0.448 27.8-109.5 -66.0 131.7 20.2 44.5 65.9 133 362 A A T 3 S+ 0 0 90 1,-0.2 -20,-0.2 -2,-0.2 -22,-0.0 -0.359 95.5 7.8 -65.0 131.3 19.4 45.6 69.4 134 363 A G T 3 S+ 0 0 27 -22,-2.2 -1,-0.2 1,-0.2 -21,-0.2 0.517 89.2 138.0 78.9 4.5 16.5 43.7 71.1 135 364 A X < - 0 0 58 -3,-1.5 -23,-2.7 -23,-0.3 -1,-0.2 -0.415 62.1 -87.3 -74.7 160.4 16.0 41.0 68.4 136 365 A S B > -C 111 0B 18 -25,-0.2 4,-2.7 1,-0.1 -25,-0.2 -0.275 28.6-120.9 -68.5 154.6 15.3 37.4 69.4 137 366 A L H > S+ 0 0 1 -27,-2.1 4,-2.5 -30,-0.4 5,-0.2 0.912 116.6 52.9 -59.7 -39.6 18.2 35.1 70.0 138 367 A Q H > S+ 0 0 42 -30,-2.5 4,-2.3 -28,-0.2 -1,-0.2 0.926 109.7 47.4 -58.3 -49.9 16.7 32.9 67.2 139 368 A F H > S+ 0 0 75 -31,-0.3 4,-3.3 1,-0.2 5,-0.5 0.916 111.7 49.7 -60.8 -47.9 16.6 35.8 64.8 140 369 A I H X>S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 5,-1.4 0.925 114.4 43.7 -60.3 -48.2 20.1 36.9 65.5 141 370 A F H <5S+ 0 0 0 -4,-2.5 6,-0.3 -5,-0.2 -1,-0.2 0.851 119.4 43.9 -65.2 -35.0 21.6 33.4 65.1 142 371 A T H <5S+ 0 0 8 -4,-2.3 -52,-2.3 -5,-0.2 -2,-0.2 0.915 132.9 12.8 -73.8 -49.0 19.5 32.7 61.9 143 372 A W H <5S+ 0 0 96 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.627 126.9 41.3-108.7 -15.9 20.0 36.1 60.1 144 373 A C T <5S+ 0 0 13 -4,-2.1 75,-1.8 -5,-0.5 2,-0.4 0.692 96.6 63.3-113.7 -24.8 22.7 38.1 61.7 145 374 A L B < -I 218 0E 0 -5,-1.4 2,-1.8 73,-0.3 73,-0.2 -0.889 68.4-134.3-114.1 133.1 25.8 36.0 62.6 146 375 A E > + 0 0 24 71,-3.1 3,-1.7 -2,-0.4 -4,-0.1 -0.627 30.9 174.6 -79.4 83.2 28.1 34.0 60.3 147 376 A I T 3 S+ 0 0 6 -2,-1.8 48,-0.8 -6,-0.3 49,-0.4 0.750 73.3 63.8 -65.4 -19.6 28.0 30.9 62.5 148 377 A R T 3 S+ 0 0 37 -3,-0.2 -1,-0.3 46,-0.2 -2,-0.1 0.548 75.3 124.9 -72.8 -12.6 30.0 29.1 59.8 149 378 A A S < S- 0 0 24 -3,-1.7 46,-0.6 1,-0.1 -4,-0.0 -0.189 70.9-113.4 -58.3 139.7 33.0 31.4 60.2 150 379 A I - 0 0 56 44,-0.2 44,-0.2 1,-0.1 -1,-0.1 -0.645 38.4-115.1 -71.8 121.4 36.3 29.7 61.0 151 380 A P - 0 0 5 0, 0.0 42,-0.1 0, 0.0 -1,-0.1 -0.415 30.2-131.5 -61.2 129.3 37.3 30.8 64.6 152 381 A K > - 0 0 160 63,-0.1 4,-2.2 -2,-0.1 3,-0.4 -0.269 26.3-100.2 -73.0 170.5 40.4 32.9 64.6 153 382 A K H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.842 123.5 55.5 -62.1 -33.4 43.3 32.2 66.9 154 383 A A H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.822 107.2 49.3 -70.6 -31.3 42.1 35.0 69.3 155 384 A F H > S+ 0 0 8 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.938 111.1 48.9 -68.6 -49.3 38.7 33.4 69.5 156 385 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.877 109.0 55.6 -51.4 -43.0 40.3 30.0 70.3 157 386 A R H X S+ 0 0 39 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.925 107.0 48.1 -57.0 -48.2 42.4 31.9 72.9 158 387 A A H >< S+ 0 0 3 -4,-1.7 3,-0.6 1,-0.2 -1,-0.2 0.814 107.1 57.2 -60.2 -33.8 39.2 33.2 74.6 159 388 A L H >< S+ 0 0 2 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.757 89.8 73.3 -75.6 -26.8 37.7 29.7 74.6 160 389 A V H >< S+ 0 0 2 -4,-1.4 3,-1.4 -3,-0.4 -1,-0.2 0.876 93.4 56.0 -45.9 -42.5 40.7 28.3 76.6 161 390 A D T << S+ 0 0 80 -3,-0.6 -1,-0.2 -4,-0.6 -2,-0.2 0.628 107.2 47.5 -77.7 -8.7 39.3 30.1 79.7 162 391 A Y T < S+ 0 0 77 -3,-1.5 44,-2.9 -4,-0.2 2,-0.5 0.172 91.0 95.4-113.0 15.1 35.9 28.4 79.4 163 392 A T B < -J 205 0F 7 -3,-1.4 42,-0.2 42,-0.3 41,-0.0 -0.939 46.6-179.2-113.0 120.3 37.3 24.9 79.0 164 393 A S + 0 0 105 40,-1.2 2,-0.4 -2,-0.5 -1,-0.1 0.714 53.8 92.0 -95.5 -24.3 37.5 22.8 82.2 165 394 A D S > S- 0 0 71 1,-0.1 4,-3.0 2,-0.0 5,-0.2 -0.629 71.4-140.1 -76.3 130.8 39.0 19.5 80.9 166 395 A S H > S+ 0 0 101 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.860 99.2 43.8 -58.9 -46.9 42.8 19.6 81.2 167 396 A A H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 116.7 47.2 -67.3 -42.2 43.6 17.8 77.9 168 397 A E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.914 112.6 48.7 -65.6 -43.4 40.9 19.8 76.0 169 398 A K H X S+ 0 0 60 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.935 112.2 50.6 -60.4 -43.5 42.1 23.2 77.4 170 399 A R H X S+ 0 0 67 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.887 108.1 51.6 -61.4 -41.6 45.7 22.2 76.5 171 400 A R H X S+ 0 0 4 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.905 108.9 50.3 -66.4 -40.7 44.7 21.3 72.9 172 401 A L H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.872 108.7 52.7 -63.4 -38.9 43.0 24.7 72.5 173 402 A Q H X S+ 0 0 48 -4,-2.1 4,-1.0 2,-0.2 3,-0.3 0.927 110.5 48.1 -58.2 -47.5 46.2 26.4 73.8 174 403 A E H >< S+ 0 0 5 -4,-2.4 3,-0.9 1,-0.2 6,-0.4 0.931 108.1 55.4 -55.2 -46.9 48.2 24.5 71.2 175 404 A L H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.800 114.8 37.3 -66.1 -26.8 45.7 25.4 68.5 176 405 A C H 3< S+ 0 0 4 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.520 101.1 99.0 -98.2 -3.5 46.1 29.2 69.2 177 406 A S S << S- 0 0 1 -4,-1.0 3,-0.4 -3,-0.9 -151,-0.2 -0.302 83.5-112.9 -83.1 161.9 49.8 29.2 70.0 178 407 A K S > S+ 0 0 89 -153,-2.1 3,-1.4 1,-0.2 -152,-0.1 0.930 119.6 50.5 -47.3 -50.4 52.9 30.0 67.9 179 408 A Q T 3 S+ 0 0 71 1,-0.3 3,-0.3 -154,-0.1 -1,-0.2 0.726 105.0 57.6 -68.5 -25.4 53.9 26.3 68.0 180 409 A G T 3> + 0 0 0 -6,-0.4 4,-3.0 -3,-0.4 -1,-0.3 0.239 69.8 112.1 -91.1 11.3 50.5 25.1 66.9 181 410 A A H <> S+ 0 0 38 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.896 79.1 46.6 -51.5 -52.0 50.4 27.1 63.6 182 411 A A H > S+ 0 0 74 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.924 113.5 48.7 -56.8 -47.7 50.6 23.9 61.4 183 412 A D H >>S+ 0 0 25 -4,-0.2 4,-3.3 2,-0.2 5,-0.5 0.917 112.1 49.3 -62.2 -42.9 47.9 22.1 63.4 184 413 A Y H X>S+ 0 0 23 -4,-3.0 5,-2.5 -10,-0.2 4,-2.0 0.938 112.7 47.1 -58.8 -49.9 45.6 25.2 63.2 185 414 A S H <>S+ 0 0 35 -4,-2.6 5,-3.4 -5,-0.2 6,-0.3 0.931 121.6 37.1 -58.9 -45.4 46.2 25.5 59.4 186 415 A R H <5S+ 0 0 137 -4,-2.9 5,-0.3 -5,-0.2 -2,-0.2 0.940 128.0 28.7 -69.6 -53.7 45.5 21.7 58.9 187 416 A F H <5S+ 0 0 22 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.684 134.1 22.5 -94.7 -20.3 42.8 20.9 61.5 188 417 A V T - 0 0 5 -2,-0.2 4,-2.2 -44,-0.2 5,-0.2 -0.624 37.6 -90.6-107.4 176.0 33.2 26.3 62.5 195 424 A L H > S+ 0 0 0 -48,-0.8 4,-2.8 -46,-0.6 5,-0.3 0.900 125.4 51.1 -50.7 -51.4 32.3 27.1 66.2 196 425 A L H > S+ 0 0 23 -49,-0.4 4,-2.4 1,-0.2 5,-0.2 0.936 109.3 52.2 -55.5 -44.5 29.7 24.3 66.5 197 426 A D H > S+ 0 0 12 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.925 112.6 45.2 -57.2 -45.8 32.3 21.8 65.2 198 427 A L H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.912 112.1 50.0 -64.1 -45.1 34.9 23.0 67.7 199 428 A L H < S+ 0 0 2 -4,-2.8 6,-0.3 1,-0.2 -1,-0.2 0.854 111.8 48.7 -65.1 -34.9 32.4 23.0 70.6 200 429 A L H < S+ 0 0 105 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.866 113.5 47.7 -70.5 -33.8 31.3 19.4 69.7 201 430 A A H < S+ 0 0 28 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.760 118.1 41.4 -77.1 -28.1 35.0 18.4 69.5 202 431 A F S >< S+ 0 0 4 -4,-2.1 3,-2.6 -5,-0.1 -1,-0.3 -0.708 72.2 176.8-117.4 74.2 35.7 20.0 72.9 203 432 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.714 75.6 59.8 -59.0 -21.7 32.7 19.1 75.0 204 433 A S T 3 S+ 0 0 18 -3,-0.1 -40,-1.2 -39,-0.0 2,-0.6 0.466 78.9 103.4 -84.5 -1.7 34.0 20.7 78.2 205 434 A C B < +J 163 0F 1 -3,-2.6 -42,-0.3 -6,-0.3 -3,-0.1 -0.713 43.7 172.5 -81.9 117.8 34.2 24.2 76.5 206 435 A Q - 0 0 87 -44,-2.9 -104,-0.1 -2,-0.6 -1,-0.1 -0.714 9.5-176.5-128.5 81.0 31.2 26.2 77.8 207 436 A P - 0 0 11 0, 0.0 2,-0.2 0, 0.0 -48,-0.1 -0.453 27.5-110.1 -80.8 154.6 31.6 29.8 76.5 208 437 A P >> - 0 0 40 0, 0.0 4,-1.4 0, 0.0 3,-0.8 -0.503 23.2-118.6 -77.7 151.0 29.2 32.6 77.5 209 438 A L H 3> S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.885 113.5 63.7 -52.4 -41.5 26.9 34.1 74.9 210 439 A S H 3> S+ 0 0 16 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.877 101.3 51.5 -53.9 -37.7 28.6 37.5 75.3 211 440 A L H X> S+ 0 0 2 -3,-0.8 4,-0.9 1,-0.2 3,-0.5 0.911 107.3 51.1 -67.3 -44.4 31.9 36.0 74.0 212 441 A L H >X S+ 0 0 0 -4,-1.4 4,-3.2 1,-0.2 3,-1.0 0.923 108.5 52.7 -55.2 -44.2 30.3 34.6 70.9 213 442 A L H 3< S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.676 106.6 53.3 -73.4 -17.4 28.8 38.0 70.2 214 443 A E H << S+ 0 0 22 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.638 122.8 27.9 -78.8 -20.8 32.2 39.6 70.5 215 444 A H H << S+ 0 0 52 -3,-1.0 -2,-0.2 -4,-0.9 -3,-0.2 0.727 91.4 92.3-117.5 -26.6 33.7 37.2 67.9 216 445 A L S < S- 0 0 6 -4,-3.2 -69,-0.1 -5,-0.2 3,-0.1 -0.570 70.0-136.1 -75.6 128.9 31.1 35.9 65.4 217 446 A P - 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