==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/DNA 01-MAR-00 1EJ9 . COMPND 2 MOLECULE: DNA (5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR M.R.REDINBO,J.J.CHAMPOUX,W.G.HOL . 483 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25857.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 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 . 32 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 0 0 0 2 3 1 1 0 0 2 0 2 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 0 PARALLEL BRIDGES PER LADDER . 2 5 0 1 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 3 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 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 1 203 A W 0 0 128 0, 0.0 2,-3.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 100.0 30.8 -4.7 36.4 2 204 A K > + 0 0 106 1,-0.2 3,-2.5 2,-0.1 230,-0.0 -0.311 360.0 170.6 -67.7 72.8 30.9 -1.0 35.3 3 205 A W G > S+ 0 0 13 -2,-3.2 3,-1.4 1,-0.3 -1,-0.2 0.723 70.0 70.6 -55.4 -26.1 29.7 -1.9 31.7 4 206 A W G 3 S+ 0 0 32 1,-0.3 -1,-0.3 -3,-0.2 4,-0.1 0.722 88.1 63.8 -64.3 -23.9 29.3 1.8 31.1 5 207 A E G < S+ 0 0 120 -3,-2.5 -1,-0.3 2,-0.1 2,-0.2 0.033 95.3 84.1 -87.1 26.4 33.1 2.0 31.2 6 208 A E S < S- 0 0 120 -3,-1.4 2,-0.6 0, 0.0 -3,-0.0 -0.505 89.2 -85.3-118.0-172.8 33.2 -0.2 28.1 7 209 A E - 0 0 84 -2,-0.2 -2,-0.1 1,-0.0 -3,-0.0 -0.871 42.0-126.0 -98.7 123.0 33.0 0.1 24.3 8 210 A R - 0 0 70 -2,-0.6 3,-0.1 -4,-0.1 -4,-0.0 -0.326 31.6-111.3 -63.1 148.4 29.5 0.1 22.9 9 211 A Y - 0 0 81 1,-0.2 3,-0.1 4,-0.1 -1,-0.1 -0.237 40.4 -83.8 -75.3 168.8 29.0 -2.5 20.1 10 212 A P - 0 0 87 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.059 65.5 -77.3 -61.8-179.4 28.4 -1.6 16.5 11 213 A E S S+ 0 0 106 1,-0.2 2,-0.4 -3,-0.1 3,-0.1 -0.652 116.3 19.1 -83.0 144.0 24.8 -0.8 15.7 12 214 A G S S+ 0 0 36 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 -0.289 96.1 103.6 96.3 -49.5 22.5 -3.8 15.3 13 215 A I + 0 0 48 -2,-0.4 194,-0.2 1,-0.2 -1,-0.2 -0.615 41.0 173.9 -72.6 115.7 24.8 -6.2 17.1 14 216 A K - 0 0 72 192,-3.5 2,-0.3 -2,-0.6 -1,-0.2 0.698 63.1 -22.5 -93.6 -28.4 23.2 -6.7 20.6 15 217 A W - 0 0 6 191,-0.7 -1,-0.3 1,-0.1 3,-0.1 -0.959 42.8-137.9-170.7 169.6 25.6 -9.5 21.9 16 218 A K S S+ 0 0 124 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.742 89.0 24.0-108.5 -32.8 27.9 -12.2 20.7 17 219 A F + 0 0 47 168,-0.1 125,-3.1 169,-0.1 -1,-0.4 -0.943 61.9 170.9-134.2 152.1 27.0 -15.0 23.0 18 220 A L E +A 141 0A 0 -2,-0.3 167,-2.1 123,-0.3 2,-0.4 -0.861 3.6 177.0-165.7 131.3 23.9 -15.7 25.0 19 221 A E E +A 140 0A 58 121,-1.9 121,-2.3 -2,-0.3 2,-0.3 -0.994 9.6 158.6-144.1 123.5 22.7 -18.7 27.1 20 222 A H - 0 0 9 -2,-0.4 119,-0.1 169,-0.3 116,-0.1 -0.893 43.2-123.7-134.9 173.5 19.5 -19.2 29.1 21 223 A K - 0 0 105 117,-0.4 171,-0.1 1,-0.3 118,-0.1 0.316 54.1-120.4-102.9 10.6 17.5 -22.0 30.5 22 224 A G - 0 0 7 169,-0.1 -1,-0.3 114,-0.1 2,-0.1 -0.134 48.2 -36.6 76.9 179.6 14.2 -21.0 28.8 23 225 A P - 0 0 6 0, 0.0 2,-0.7 0, 0.0 129,-0.2 -0.373 47.7-119.9 -77.9 153.9 10.9 -20.1 30.6 24 226 A V B -c 152 0B 33 127,-2.1 129,-2.2 -2,-0.1 2,-0.1 -0.836 37.7-140.9 -91.6 115.0 9.3 -21.6 33.6 25 227 A F - 0 0 46 -2,-0.7 151,-0.1 127,-0.2 149,-0.0 -0.368 27.4 -90.1 -74.6 159.5 6.0 -22.9 32.3 26 228 A A - 0 0 24 149,-0.2 -1,-0.1 128,-0.2 3,-0.1 -0.475 51.2-106.2 -69.7 138.6 2.9 -22.5 34.4 27 229 A P - 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.198 46.1 -81.9 -62.8 161.5 2.4 -25.6 36.6 28 230 A P - 0 0 108 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.046 44.7-101.5 -62.2 159.6 -0.3 -28.0 35.8 29 231 A Y - 0 0 56 -3,-0.1 24,-0.0 0, 0.0 21,-0.0 -0.776 28.4-154.8 -86.4 123.6 -3.9 -27.6 36.7 30 232 A E - 0 0 167 -2,-0.5 0, 0.0 1,-0.0 0, 0.0 -0.871 23.7-123.5 -99.5 128.1 -5.1 -29.6 39.7 31 233 A P - 0 0 83 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.214 35.0 -83.8 -67.1 165.8 -8.8 -30.3 39.5 32 234 A L - 0 0 15 1,-0.1 2,-0.1 4,-0.1 71,-0.0 -0.270 49.3 -96.8 -69.6 150.8 -11.2 -29.3 42.2 33 235 A P > - 0 0 39 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.465 37.6-113.5 -64.9 146.6 -11.7 -31.5 45.2 34 236 A E T 3 S+ 0 0 129 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.703 117.5 60.0 -54.5 -25.5 -14.8 -33.7 44.7 35 237 A N T 3 S+ 0 0 113 2,-0.1 2,-0.7 1,-0.0 -1,-0.3 0.691 85.5 87.2 -75.8 -23.5 -16.5 -31.8 47.6 36 238 A V S < S- 0 0 15 -3,-2.1 2,-0.3 69,-0.0 67,-0.1 -0.753 74.5-155.6 -83.6 116.9 -16.1 -28.5 45.6 37 239 A K - 0 0 70 -2,-0.7 66,-0.4 9,-0.1 65,-0.4 -0.731 24.2-162.2-109.9 149.8 -19.2 -28.3 43.4 38 240 A F - 0 0 12 7,-0.4 7,-1.9 -2,-0.3 2,-0.4 -0.837 14.6-163.3-116.9 146.5 -20.5 -26.7 40.2 39 241 A Y E -DE 44 99C 60 60,-1.2 60,-3.2 -2,-0.3 2,-0.4 -0.982 10.4-168.5-134.1 139.3 -24.2 -26.4 39.4 40 242 A Y E > S-DE 43 98C 15 3,-1.9 3,-1.4 -2,-0.4 58,-0.2 -0.995 85.6 -10.0-124.8 126.5 -25.9 -25.7 36.1 41 243 A D T 3 S- 0 0 95 56,-2.5 57,-0.1 -2,-0.4 -1,-0.1 0.839 131.4 -57.4 54.1 34.8 -29.6 -24.9 36.3 42 244 A G T 3 S+ 0 0 67 55,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.750 114.6 120.9 69.9 23.7 -29.4 -26.0 40.0 43 245 A K E < -D 40 0C 147 -3,-1.4 -3,-1.9 2,-0.0 -1,-0.2 -0.967 68.6-116.8-125.3 119.0 -28.1 -29.4 39.0 44 246 A V E +D 39 0C 92 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.161 39.6 178.0 -48.3 138.2 -24.7 -30.7 40.1 45 247 A M - 0 0 35 -7,-1.9 2,-0.5 2,-0.0 -7,-0.4 -0.940 24.0-144.9-152.4 121.9 -22.5 -31.2 37.2 46 248 A K - 0 0 156 -2,-0.4 2,-0.2 -9,-0.1 -9,-0.1 -0.786 30.4-135.8 -88.7 133.7 -18.9 -32.4 37.2 47 249 A L - 0 0 9 -2,-0.5 6,-0.0 1,-0.1 37,-0.0 -0.571 15.1-100.1 -98.5 157.7 -17.0 -30.7 34.4 48 250 A S > - 0 0 21 -2,-0.2 4,-3.3 1,-0.1 5,-0.2 -0.153 46.2-109.8 -56.2 150.8 -14.5 -31.7 31.9 49 251 A P H > S+ 0 0 81 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.960 118.3 45.1 -55.8 -48.7 -11.0 -30.8 33.1 50 252 A K H > S+ 0 0 125 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.946 116.1 47.4 -61.8 -44.1 -10.5 -28.0 30.6 51 253 A A H > S+ 0 0 0 32,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.929 109.1 53.5 -63.6 -43.7 -14.0 -26.7 31.3 52 254 A E H X S+ 0 0 21 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.932 107.5 51.2 -56.2 -46.4 -13.6 -26.8 35.0 53 255 A E H X S+ 0 0 33 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.871 109.2 49.1 -58.4 -47.8 -10.4 -24.8 34.9 54 256 A V H >X S+ 0 0 6 -4,-1.8 4,-1.6 1,-0.2 3,-1.0 0.954 108.7 53.5 -59.8 -44.8 -11.9 -22.1 32.9 55 257 A A H 3X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.3 -1,-0.2 0.811 103.4 59.8 -58.2 -30.3 -14.8 -22.0 35.2 56 258 A T H 3X S+ 0 0 3 -4,-1.5 4,-2.7 -5,-0.2 -1,-0.3 0.863 99.4 55.0 -67.2 -34.7 -12.3 -21.6 37.9 57 259 A F H << S+ 0 0 26 -4,-1.4 4,-0.4 -3,-1.0 -2,-0.2 0.964 114.5 39.5 -60.3 -52.0 -11.0 -18.4 36.4 58 260 A F H >X S+ 0 0 4 -4,-1.6 3,-2.2 1,-0.2 4,-0.9 0.953 114.6 53.0 -59.7 -54.0 -14.4 -16.9 36.4 59 261 A A H >< S+ 0 0 1 -4,-3.2 3,-0.6 1,-0.3 -1,-0.2 0.840 106.3 55.6 -50.4 -38.6 -15.2 -18.4 39.8 60 262 A K T 3< S+ 0 0 126 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.521 114.3 38.5 -69.5 -19.4 -12.0 -16.8 41.1 61 263 A M T X4 S+ 0 0 20 -3,-2.2 3,-2.2 -4,-0.4 6,-0.4 0.316 78.5 118.6-109.9 -4.9 -13.0 -13.3 40.0 62 264 A L T << S+ 0 0 44 -4,-0.9 -2,-0.1 -3,-0.6 -3,-0.1 0.689 73.4 53.5 -33.3 -36.4 -16.7 -13.6 40.8 63 265 A D T 3 S+ 0 0 122 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.728 85.1 92.5 -79.9 -24.9 -16.6 -10.7 43.3 64 266 A H S < S- 0 0 104 -3,-2.2 3,-0.4 1,-0.2 -3,-0.0 -0.355 80.7-131.4 -62.3 153.1 -15.0 -8.1 41.0 65 267 A E S >> S+ 0 0 133 1,-0.2 3,-2.1 2,-0.1 4,-0.8 0.529 99.6 88.9 -81.4 -8.6 -17.8 -6.0 39.3 66 268 A Y G >4 S+ 0 0 45 1,-0.3 3,-1.3 2,-0.2 6,-0.2 0.955 81.1 57.0 -42.7 -55.8 -15.7 -6.9 36.3 67 269 A T G 34 S+ 0 0 6 -3,-0.4 -1,-0.3 -6,-0.4 -2,-0.1 0.382 96.0 63.6 -63.0 0.2 -17.8 -10.0 36.0 68 270 A T G <4 S+ 0 0 76 -3,-2.1 -1,-0.3 4,-0.0 -2,-0.2 0.812 81.4 99.5 -97.2 -30.3 -21.1 -8.2 35.8 69 271 A K S S+ 0 0 151 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.881 105.1 48.8 -62.7 -46.1 -21.7 -7.4 29.1 71 273 A I H > S+ 0 0 45 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.980 111.0 52.5 -60.4 -49.2 -18.5 -7.6 27.1 72 274 A F H > S+ 0 0 0 1,-0.2 4,-2.5 -6,-0.2 -1,-0.2 0.804 113.4 41.0 -49.8 -47.7 -16.9 -9.7 29.8 73 275 A R H X S+ 0 0 70 -4,-1.5 4,-3.8 2,-0.2 5,-0.3 0.906 116.9 47.3 -72.1 -43.7 -19.6 -12.3 30.0 74 276 A K H X S+ 0 0 131 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.919 118.2 42.3 -61.3 -50.2 -20.2 -12.5 26.4 75 277 A N H X S+ 0 0 23 -4,-3.5 4,-1.7 93,-0.3 96,-0.3 0.940 119.0 47.2 -62.0 -48.8 -16.5 -12.8 25.7 76 278 A F H X S+ 0 0 1 -4,-2.5 4,-1.7 -5,-0.4 -2,-0.2 0.938 112.0 44.8 -59.5 -61.3 -16.1 -15.1 28.6 77 279 A F H X S+ 0 0 25 -4,-3.8 4,-2.0 1,-0.2 -1,-0.2 0.883 110.1 56.4 -54.8 -40.4 -18.8 -17.5 28.0 78 280 A K H X S+ 0 0 134 -4,-1.8 4,-1.2 -5,-0.3 3,-0.3 0.963 109.5 44.7 -55.6 -53.3 -18.1 -17.8 24.3 79 281 A D H X S+ 0 0 18 -4,-1.7 4,-0.8 1,-0.2 -1,-0.2 0.781 109.2 58.0 -60.7 -33.2 -14.5 -18.9 24.9 80 282 A W H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.2 -1,-0.2 0.897 99.5 55.4 -66.7 -44.0 -15.5 -21.3 27.6 81 283 A R H >< S+ 0 0 70 -4,-2.0 3,-2.5 1,-0.3 -1,-0.2 0.878 99.9 61.9 -57.6 -37.0 -17.8 -23.3 25.4 82 284 A K H 3< S+ 0 0 115 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.834 104.3 49.3 -55.6 -36.0 -14.9 -23.8 23.1 83 285 A E T << S+ 0 0 53 -3,-0.9 -32,-0.3 -4,-0.8 -1,-0.3 0.350 97.4 97.6 -86.1 3.8 -13.3 -25.6 25.9 84 286 A M S < S- 0 0 7 -3,-2.5 2,-0.1 -34,-0.1 -3,-0.0 -0.638 79.3-112.9 -94.4 154.6 -16.3 -27.7 26.5 85 287 A T > - 0 0 64 -2,-0.2 4,-2.8 1,-0.1 3,-0.3 -0.377 41.1-100.9 -74.1 162.3 -16.9 -31.1 25.4 86 288 A N H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.941 123.4 48.4 -49.7 -51.9 -19.7 -31.4 22.8 87 289 A E H > S+ 0 0 117 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.808 109.5 52.3 -62.0 -32.0 -22.2 -32.6 25.3 88 290 A E H > S+ 0 0 16 -3,-0.3 4,-2.4 1,-0.2 3,-0.4 0.931 105.1 56.4 -69.8 -41.8 -21.3 -29.9 27.7 89 291 A K H < S+ 0 0 60 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.841 104.3 55.7 -57.0 -30.5 -21.9 -27.4 24.9 90 292 A N H < S+ 0 0 106 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.919 114.6 34.9 -71.2 -35.8 -25.3 -28.9 24.6 91 293 A I H < S+ 0 0 76 -4,-1.4 2,-1.4 -3,-0.4 3,-0.2 0.831 105.2 62.7 -88.7 -45.3 -26.3 -28.3 28.2 92 294 A I < + 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.773 57.0 159.1 -85.7 94.1 -24.8 -25.1 29.3 93 295 A T + 0 0 88 -2,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.707 64.8 18.5 -87.4 -20.9 -26.5 -22.8 26.9 94 296 A N - 0 0 42 -3,-0.2 3,-0.5 1,-0.1 -1,-0.2 -0.961 64.5-129.8-149.0 160.0 -25.9 -19.7 28.9 95 297 A L S > S+ 0 0 12 -2,-0.3 3,-1.9 1,-0.2 -1,-0.1 0.762 97.8 75.0 -78.0 -30.0 -23.7 -18.4 31.7 96 298 A S T 3 S+ 0 0 91 1,-0.3 -1,-0.2 -3,-0.1 0, 0.0 0.605 92.3 53.0 -63.0 -14.4 -26.5 -17.1 33.7 97 299 A K T 3 S+ 0 0 101 -3,-0.5 -56,-2.5 -56,-0.0 -55,-0.6 0.385 87.7 105.8-100.6 4.3 -27.6 -20.5 34.9 98 300 A C E < -E 40 0C 20 -3,-1.9 2,-0.7 -58,-0.2 -58,-0.2 -0.668 58.5-149.4 -88.8 140.1 -24.2 -21.5 36.2 99 301 A D E +E 39 0C 56 -60,-3.2 -60,-1.2 -2,-0.3 4,-0.2 -0.906 26.2 161.9-112.7 104.4 -23.4 -21.6 39.9 100 302 A F > + 0 0 6 -2,-0.7 4,-3.7 -62,-0.1 -1,-0.1 0.232 47.7 103.0-100.7 5.3 -19.7 -20.8 40.7 101 303 A T H > S+ 0 0 63 2,-0.3 4,-4.6 1,-0.2 5,-0.3 0.933 78.8 46.4 -55.1 -58.2 -20.3 -20.0 44.3 102 304 A Q H > S+ 0 0 66 -65,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.879 118.2 49.1 -52.5 -36.7 -19.0 -23.3 45.9 103 305 A M H > S+ 0 0 0 -66,-0.4 4,-1.7 2,-0.2 -2,-0.3 0.953 112.0 46.0 -66.0 -49.0 -16.2 -22.5 43.6 104 306 A S H X S+ 0 0 14 -4,-3.7 4,-2.0 1,-0.2 5,-0.2 0.961 114.0 48.7 -59.5 -49.4 -16.0 -19.0 44.7 105 307 A Q H X S+ 0 0 137 -4,-4.6 4,-1.9 1,-0.2 -1,-0.2 0.913 107.1 57.0 -56.5 -45.7 -16.2 -19.9 48.4 106 308 A Y H X S+ 0 0 61 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.894 108.6 42.7 -49.9 -60.2 -13.5 -22.6 48.0 107 309 A F H X S+ 0 0 29 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.881 109.4 57.2 -57.5 -41.8 -10.8 -20.3 46.7 108 310 A K H X S+ 0 0 103 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.870 107.8 51.0 -56.0 -39.9 -11.6 -17.5 49.2 109 311 A A H X S+ 0 0 55 -4,-1.9 4,-3.2 -5,-0.2 5,-0.3 0.992 108.6 48.7 -58.5 -62.0 -10.9 -20.2 51.7 110 312 A Q H X S+ 0 0 90 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.786 110.9 56.6 -46.8 -34.7 -7.6 -21.0 50.1 111 313 A T H X S+ 0 0 90 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.992 110.4 36.6 -65.7 -65.7 -7.0 -17.4 50.2 112 314 A E H X S+ 0 0 109 -4,-2.7 4,-1.4 1,-0.2 5,-0.2 0.946 113.5 61.2 -53.9 -46.9 -7.4 -16.6 53.8 113 315 A A H >X S+ 0 0 42 -4,-3.2 3,-0.9 -5,-0.2 4,-0.6 0.913 110.5 39.8 -43.5 -53.7 -5.7 -19.9 54.6 114 316 A R H >< S+ 0 0 175 -4,-2.1 3,-2.3 -5,-0.3 -1,-0.2 0.986 109.0 61.0 -62.6 -50.3 -2.7 -18.7 52.8 115 317 A K H 3< S+ 0 0 86 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.643 112.4 40.1 -50.3 -13.5 -3.0 -15.2 54.3 116 318 A Q H << S+ 0 0 128 -4,-1.4 -1,-0.3 -3,-0.9 -2,-0.2 0.430 86.1 142.6-114.8 -8.5 -2.7 -16.8 57.8 117 319 A M << - 0 0 42 -3,-2.3 -3,-0.1 -4,-0.6 5,-0.0 0.193 57.4 -89.4 -38.3 153.3 0.1 -19.4 57.1 118 320 A S > - 0 0 62 1,-0.1 4,-2.3 4,-0.0 5,-0.1 -0.196 33.2-119.6 -60.3 153.5 2.9 -20.4 59.6 119 321 A K H > S+ 0 0 73 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.917 115.4 55.7 -64.3 -41.5 6.1 -18.4 59.4 120 322 A E H > S+ 0 0 74 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.914 108.6 48.6 -53.8 -46.5 8.0 -21.6 58.5 121 323 A E H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.930 107.8 55.2 -58.8 -45.2 5.6 -22.1 55.6 122 324 A K H X S+ 0 0 106 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.886 113.2 41.7 -55.4 -41.2 6.2 -18.5 54.7 123 325 A L H X S+ 0 0 96 -4,-2.4 4,-2.6 2,-0.2 3,-0.5 0.868 106.6 61.0 -75.3 -40.9 10.0 -19.2 54.5 124 326 A K H X S+ 0 0 36 -4,-3.1 4,-2.2 1,-0.3 -2,-0.2 0.921 106.5 47.2 -53.6 -42.1 9.7 -22.5 52.8 125 327 A I H X S+ 0 0 47 -4,-2.0 4,-2.8 1,-0.2 -1,-0.3 0.766 110.5 53.2 -73.9 -21.3 8.1 -20.8 49.8 126 328 A K H X S+ 0 0 124 -4,-0.7 4,-4.1 -3,-0.5 -1,-0.2 0.897 109.5 45.9 -75.3 -45.3 10.7 -18.1 49.8 127 329 A E H X S+ 0 0 108 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.900 114.4 51.3 -61.7 -38.1 13.5 -20.5 49.7 128 330 A E H X S+ 0 0 126 -4,-2.2 4,-1.5 -5,-0.3 -2,-0.2 0.975 112.8 44.5 -61.3 -50.8 11.4 -22.2 47.0 129 331 A N H X S+ 0 0 85 -4,-2.8 4,-1.9 1,-0.3 3,-0.5 0.910 111.8 51.7 -58.6 -50.5 11.1 -18.9 45.2 130 332 A E H X S+ 0 0 118 -4,-4.1 4,-2.1 1,-0.3 -1,-0.3 0.855 105.5 55.8 -54.9 -40.7 14.7 -18.1 45.6 131 333 A K H X S+ 0 0 57 -4,-2.2 4,-1.8 1,-0.2 -1,-0.3 0.831 105.1 54.0 -61.6 -34.4 15.7 -21.4 44.2 132 334 A L H X>S+ 0 0 44 -4,-1.5 4,-3.2 -3,-0.5 5,-0.7 0.945 107.1 50.4 -65.2 -45.8 13.6 -20.7 41.1 133 335 A L H X5S+ 0 0 51 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.903 108.5 51.6 -59.1 -45.6 15.4 -17.4 40.6 134 336 A K H <5S+ 0 0 170 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.905 117.0 40.5 -61.6 -38.3 18.8 -19.0 40.9 135 337 A E H <5S+ 0 0 92 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.888 136.6 7.2 -81.8 -38.6 17.8 -21.6 38.3 136 338 A Y H <5S+ 0 0 58 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.451 107.7 82.7-121.6 -6.4 15.8 -19.6 35.7 137 339 A G S < -AB 18 144A 4 3,-1.6 3,-1.9 -2,-0.5 -123,-0.3 -0.936 63.3 -46.3-107.3 123.6 25.1 -12.6 27.8 142 344 A D T 3 S- 0 0 24 -125,-3.1 -127,-0.0 -2,-0.6 -123,-0.0 -0.349 127.4 -11.2 57.5-117.6 28.5 -12.3 26.3 143 345 A N T 3 S+ 0 0 140 -2,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.205 120.9 57.1-102.2 12.9 30.9 -12.3 29.2 144 346 A H E < S-B 141 0A 63 -3,-1.9 -3,-1.6 -143,-0.0 2,-0.5 -0.958 77.1-103.0-142.9 165.0 28.7 -12.0 32.3 145 347 A K E -B 140 0A 141 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.688 43.7-173.8 -83.1 125.3 25.8 -13.4 34.3 146 348 A E E -B 139 0A 19 -7,-4.1 -7,-4.2 -2,-0.5 2,-0.3 -0.977 22.1-118.7-129.3 142.5 22.7 -11.3 33.8 147 349 A R E -B 138 0A 74 -2,-0.4 81,-2.5 -9,-0.3 2,-0.4 -0.557 21.5-133.4 -79.2 136.9 19.4 -11.3 35.4 148 350 A I B -F 227 0D 6 -11,-2.6 3,-0.4 -2,-0.3 79,-0.3 -0.765 8.7-150.3 -91.2 132.6 16.2 -12.0 33.4 149 351 A A S S+ 0 0 42 77,-2.0 2,-0.8 -2,-0.4 -1,-0.2 0.997 83.8 17.0 -63.5 -68.6 13.4 -9.7 34.0 150 352 A N + 0 0 71 76,-0.8 -1,-0.2 1,-0.1 -13,-0.0 -0.754 66.4 152.6-111.7 84.8 10.3 -11.8 33.3 151 353 A F + 0 0 18 -2,-0.8 -127,-2.1 -3,-0.4 2,-0.7 0.632 47.6 90.7 -92.8 -8.6 11.2 -15.5 33.3 152 354 A K B S-c 24 0B 125 -129,-0.2 -127,-0.2 1,-0.1 -126,-0.0 -0.795 81.4-119.8 -91.5 115.3 7.8 -16.9 34.4 153 355 A I - 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M 0 335H 17 8,-2.6 8,-5.3 -2,-0.2 2,-0.5 -0.938 57.8 -99.2-152.5 173.5 -9.8 12.6 26.2 328 530 A L E - M 0 334H 77 -2,-0.3 -28,-2.4 6,-0.3 6,-0.3 -0.877 39.3-171.4-103.5 128.5 -8.5 9.2 27.3 329 531 A G > - 0 0 9 4,-4.0 3,-1.8 -2,-0.5 4,-0.3 -0.197 44.7 -26.8-103.3-162.9 -4.9 8.4 26.8 330 532 A K G > S+ 0 0 123 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 -0.083 136.6 15.3 -45.2 140.0 -2.6 5.4 27.0 331 533 A D G 3 S- 0 0 82 1,-0.3 -1,-0.3 -3,-0.1 -168,-0.2 0.743 129.6 -81.3 61.3 18.4 -4.0 3.0 29.6 332 534 A S G < S+ 0 0 23 -3,-1.8 2,-0.4 1,-0.2 -1,-0.3 0.764 79.1 165.0 58.3 28.7 -7.2 5.0 29.2 333 535 A I < - 0 0 53 -3,-1.9 -4,-4.0 -4,-0.3 -1,-0.2 -0.649 39.1-115.3 -79.2 125.8 -5.8 7.6 31.6 334 536 A R E -M 328 0H 134 -2,-0.4 2,-0.6 -6,-0.3 -6,-0.3 -0.426 23.1-157.3 -65.6 133.0 -8.0 10.8 31.2 335 537 A Y E +M 327 0H 28 -8,-5.3 -8,-2.6 -2,-0.2 2,-0.4 -0.915 20.4 162.7-118.4 115.2 -6.6 13.9 29.9 336 538 A Y E +M 326 0H 90 -2,-0.6 2,-0.3 -10,-0.2 -10,-0.2 -0.988 8.4 145.0-131.2 126.0 -8.3 17.1 30.8 337 539 A N E -M 325 0H 60 -12,-1.9 -12,-2.7 -2,-0.4 2,-0.8 -0.916 38.2-143.2-166.5 129.8 -6.8 20.6 30.5 338 540 A K E -M 324 0H 70 -2,-0.3 -14,-0.3 -14,-0.3 -2,-0.0 -0.852 33.3-172.6 -93.5 115.1 -7.9 24.1 29.7 339 541 A V E -M 323 0H 6 -16,-4.4 -16,-3.1 -2,-0.8 2,-0.5 -0.913 25.1-145.6-124.7 121.5 -5.0 25.7 27.8 340 542 A P E -M 322 0H 48 0, 0.0 -18,-0.3 0, 0.0 2,-0.2 -0.627 35.7-176.7 -75.4 117.9 -4.4 29.3 26.7 341 543 A V - 0 0 15 -20,-3.4 2,-0.2 -2,-0.5 -21,-0.1 -0.568 35.1 -67.6-111.5-177.6 -2.6 28.9 23.4 342 544 A E > - 0 0 92 -2,-0.2 4,-2.6 1,-0.2 5,-0.3 -0.526 44.8-123.0 -67.7 136.8 -1.1 31.2 20.9 343 545 A K H > S+ 0 0 111 1,-0.3 4,-2.6 -2,-0.2 5,-0.2 0.887 115.2 54.6 -47.3 -41.7 -3.7 33.2 19.1 344 546 A R H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.949 108.0 47.3 -58.6 -49.2 -2.3 31.7 15.9 345 547 A V H > S+ 0 0 0 1,-0.2 4,-2.8 -3,-0.2 3,-0.4 0.958 111.3 51.5 -54.1 -57.5 -2.7 28.1 17.2 346 548 A F H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.903 109.3 50.2 -46.4 -49.3 -6.2 28.8 18.3 347 549 A K H X S+ 0 0 123 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.3 0.849 109.4 51.6 -61.4 -37.2 -7.1 30.2 14.9 348 550 A N H X S+ 0 0 5 -4,-2.2 4,-3.3 -3,-0.4 5,-0.2 0.933 105.9 54.9 -68.0 -39.6 -5.7 27.2 13.3 349 551 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.3 -2,-0.2 0.862 103.9 53.1 -61.2 -39.2 -7.8 24.9 15.4 350 552 A Q H < S+ 0 0 85 -4,-1.8 4,-0.4 1,-0.2 -1,-0.2 0.924 112.9 46.7 -61.2 -43.0 -11.1 26.6 14.5 351 553 A L H >< S+ 0 0 67 -4,-1.5 3,-1.4 2,-0.2 -2,-0.3 0.935 112.0 47.6 -63.6 -48.3 -10.1 26.0 11.0 352 554 A F H 3< S+ 0 0 2 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.879 114.1 52.8 -62.2 -29.7 -9.1 22.4 11.6 353 555 A M T >< S+ 0 0 48 -4,-2.8 3,-0.6 -5,-0.2 -1,-0.3 0.445 88.1 102.7 -86.3 1.2 -12.4 22.1 13.5 354 556 A E T < S+ 0 0 103 -3,-1.4 3,-0.1 -4,-0.4 -3,-0.0 -0.548 80.4 11.1 -93.4 153.2 -14.8 23.4 10.8 355 557 A N T 3 S+ 0 0 158 1,-0.2 2,-0.3 -2,-0.2 -1,-0.2 0.711 103.4 115.5 64.0 19.6 -17.1 21.4 8.5 356 558 A K < - 0 0 50 -3,-0.6 -1,-0.2 4,-0.1 -3,-0.0 -0.802 65.7-119.3-121.4 166.9 -16.4 18.3 10.5 357 559 A Q > - 0 0 115 -2,-0.3 3,-3.4 -3,-0.1 -50,-0.3 -0.769 37.9-107.0 -98.0 147.6 -18.3 15.8 12.7 358 560 A P T 3 S+ 0 0 52 0, 0.0 -50,-2.0 0, 0.0 -49,-0.1 0.670 120.5 53.4 -42.0 -33.0 -17.2 15.3 16.4 359 561 A E T 3 S+ 0 0 104 -52,-0.2 3,-0.1 -53,-0.1 -3,-0.0 0.638 86.0 107.6 -84.7 -16.0 -15.7 12.0 15.4 360 562 A D S < S- 0 0 69 -3,-3.4 -53,-2.4 -54,-0.1 2,-0.6 -0.149 81.6 -97.5 -63.6 157.7 -13.6 13.4 12.6 361 563 A D B > -K 306 0G 63 -55,-0.3 3,-1.4 1,-0.2 -55,-0.3 -0.709 23.1-149.4 -80.4 120.5 -9.8 13.6 13.1 362 564 A L T 3 S+ 0 0 0 -57,-2.6 2,-0.8 -2,-0.6 -1,-0.2 0.948 98.4 35.7 -50.6 -58.4 -8.7 17.0 14.2 363 565 A F T 3 S+ 0 0 1 -58,-0.6 3,-0.4 -60,-0.2 -1,-0.3 -0.379 80.8 161.8 -96.1 55.1 -5.3 16.7 12.4 364 566 A D < + 0 0 40 -3,-1.4 3,-0.1 -2,-0.8 -92,-0.1 -0.145 66.2 48.6 -57.4 177.8 -6.6 14.7 9.5 365 567 A R S S+ 0 0 187 1,-0.1 2,-0.3 -93,-0.1 -1,-0.2 0.811 107.5 84.5 56.7 22.7 -3.9 15.1 6.8 366 568 A L + 0 0 18 -3,-0.4 2,-0.3 -63,-0.1 -1,-0.1 -0.977 48.5 166.0-157.5 143.7 -1.4 14.1 9.5 367 569 A N > - 0 0 76 -2,-0.3 4,-2.8 1,-0.1 5,-0.1 -0.958 49.2 -98.7-151.7 166.5 0.1 11.0 11.2 368 570 A T H > S+ 0 0 17 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.903 120.2 54.0 -56.5 -40.0 2.8 10.0 13.5 369 571 A G H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.950 110.1 46.0 -59.7 -52.4 4.9 8.8 10.6 370 572 A I H > S+ 0 0 45 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 115.6 49.2 -53.3 -49.1 4.7 12.1 8.8 371 573 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.956 112.4 43.2 -55.2 -61.9 5.4 13.8 12.1 372 574 A N H X S+ 0 0 39 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.817 106.8 63.3 -57.3 -31.5 8.5 11.8 13.1 373 575 A K H X S+ 0 0 135 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.975 107.3 43.0 -57.6 -53.2 9.9 12.0 9.6 374 576 A H H X S+ 0 0 27 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.852 111.9 55.3 -61.3 -40.0 10.1 15.7 9.9 375 577 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.927 104.6 50.7 -62.0 -46.0 11.5 15.5 13.4 376 578 A Q H < S+ 0 0 83 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.921 107.4 55.9 -60.4 -39.4 14.4 13.2 12.5 377 579 A D H < S+ 0 0 110 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.941 109.6 45.7 -55.1 -48.8 15.2 15.7 9.7 378 580 A L H < S+ 0 0 46 -4,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.871 135.9 6.4 -61.3 -40.8 15.4 18.4 12.3 379 581 A M S >< S- 0 0 16 -4,-2.7 3,-1.6 3,-0.1 -1,-0.3 -0.950 86.2-107.4-149.4 128.3 17.5 16.2 14.6 380 582 A E T 3 S+ 0 0 64 -2,-0.3 -3,-0.1 1,-0.3 -4,-0.1 -0.268 106.7 6.1 -55.1 128.8 18.9 12.8 13.9 381 583 A G T 3 S+ 0 0 40 1,-0.2 2,-0.6 -9,-0.1 -1,-0.3 0.803 90.6 152.9 66.4 33.1 16.9 10.3 15.9 382 584 A L < + 0 0 1 -3,-1.6 2,-0.3 -10,-0.2 -1,-0.2 -0.864 13.1 166.5 -99.4 121.5 14.3 12.7 17.1 383 585 A T >> - 0 0 54 -2,-0.6 3,-1.3 -8,-0.1 4,-0.8 -0.883 50.9-101.4-128.0 161.7 10.8 11.4 17.8 384 586 A A H >> S+ 0 0 3 -2,-0.3 3,-1.1 1,-0.3 4,-0.8 0.880 119.5 59.9 -47.8 -40.2 7.7 12.7 19.6 385 587 A K H 3> S+ 0 0 122 1,-0.3 4,-1.3 2,-0.2 3,-0.5 0.857 90.8 66.9 -64.0 -29.4 8.6 10.7 22.6 386 588 A V H <> S+ 0 0 11 -3,-1.3 4,-2.9 1,-0.2 -1,-0.3 0.839 93.5 62.4 -57.1 -38.0 12.0 12.4 23.1 387 589 A F H < S+ 0 0 126 -4,-2.1 3,-0.7 -5,-0.3 -2,-0.2 0.980 114.0 33.8 -53.4 -63.9 17.2 24.4 41.4 402 604 A E H 3< S+ 0 0 140 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.715 123.8 48.0 -67.2 -21.2 14.8 27.0 42.6 403 605 A L H 3< S+ 0 0 46 -4,-2.1 2,-0.7 -5,-0.4 -1,-0.2 0.644 80.0 110.3 -93.4 -20.9 13.5 24.8 45.3 404 606 A T << - 0 0 14 -4,-2.5 9,-0.1 -3,-0.7 -4,-0.0 -0.551 56.5-148.7 -73.6 118.1 16.6 23.5 46.9 405 607 A A > - 0 0 33 -2,-0.7 3,-1.4 1,-0.2 8,-0.1 -0.653 14.6-171.5 -86.3 103.3 17.2 24.9 50.3 406 608 A P T 3 S+ 0 0 95 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.942 93.2 50.3 -59.9 -50.5 20.8 25.4 51.5 407 609 A D T 3 S+ 0 0 114 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 0.069 98.8 114.8 -80.3 36.3 19.8 26.3 55.0 408 610 A E < - 0 0 22 -3,-1.4 2,-0.1 -2,-0.3 -4,-0.0 -0.803 65.5-122.5-114.2 149.9 17.7 23.1 54.9 409 611 A N > - 0 0 58 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.384 34.6-108.0 -75.6 158.9 17.8 19.7 56.7 410 612 A I H > S+ 0 0 56 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.942 122.7 53.1 -54.0 -48.9 18.1 16.5 54.8 411 613 A P H > S+ 0 0 100 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.886 111.7 46.6 -51.7 -44.1 14.4 15.7 55.6 412 614 A A H >> S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.936 109.0 53.0 -64.4 -47.1 13.5 19.1 54.3 413 615 A K H 3X S+ 0 0 22 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.776 102.8 60.0 -60.7 -29.3 15.6 18.7 51.1 414 616 A I H 3X S+ 0 0 30 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.3 0.905 104.5 48.1 -68.0 -39.5 13.9 15.4 50.3 415 617 A L H X S+ 0 0 1 -4,-1.1 4,-2.8 -5,-0.2 3,-0.9 0.938 102.2 55.6 -72.9 -45.0 9.0 15.5 41.2 422 624 A R H 3X S+ 0 0 99 -4,-2.0 4,-3.0 1,-0.3 -2,-0.2 0.884 102.0 58.5 -53.8 -42.7 5.3 16.2 41.4 423 625 A A H 3X S+ 0 0 25 -4,-2.1 4,-1.8 2,-0.2 -1,-0.3 0.871 111.1 42.4 -55.4 -37.3 5.7 19.0 38.9 424 626 A V H S+ 0 0 0 -4,-2.8 5,-2.0 1,-0.3 4,-0.8 0.845 109.5 56.7 -54.3 -36.3 4.5 13.7 37.3 426 628 A I H ><5S+ 0 0 102 -4,-3.0 3,-1.0 -5,-0.3 -1,-0.3 0.968 109.0 43.0 -62.9 -49.4 2.0 16.4 36.8 427 629 A L H 3<5S+ 0 0 39 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.798 114.6 49.2 -69.9 -32.9 3.2 17.2 33.3 428 630 A C H 3<5S- 0 0 2 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.567 106.4-132.7 -77.5 -13.2 3.5 13.6 32.3 429 631 A N T <<5 + 0 0 39 -3,-1.0 2,-0.3 -4,-0.8 -3,-0.2 0.783 38.5 174.0 67.1 34.6 -0.0 13.0 33.7 430 632 A H < 0 0 18 -5,-2.0 4,-1.2 1,-0.2 -1,-0.2 -0.555 360.0 360.0 -77.7 128.1 1.0 10.0 35.7 431 633 A Q 0 0 122 -2,-0.3 -1,-0.2 2,-0.3 4,-0.1 0.515 360.0 360.0-134.1 360.0 -1.9 8.8 37.8 432 ! 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 0.0 433 714 A I 0 0 133 0, 0.0 2,-0.4 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 136.0 -0.9 11.5 41.1 434 715 A A - 0 0 36 -4,-1.2 4,-0.3 -9,-0.2 3,-0.1 -0.982 360.0-168.2-134.3 124.8 2.0 9.1 41.0 435 716 A L S > S+ 0 0 42 -2,-0.4 4,-2.4 1,-0.1 5,-0.3 0.610 71.0 90.0 -86.8 -11.4 5.7 10.0 40.9 436 717 A G H > S+ 0 0 45 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.912 82.3 46.5 -48.0 -62.6 6.8 6.4 40.1 437 718 A T H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.827 117.3 41.5 -53.0 -48.4 6.7 6.3 36.3 438 719 A S H >>S+ 0 0 0 -4,-0.3 4,-2.8 2,-0.2 5,-2.0 0.927 115.9 49.6 -69.4 -43.5 8.6 9.5 35.8 439 720 A K H <5S+ 0 0 39 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.940 121.4 37.5 -57.9 -48.1 11.1 8.8 38.5 440 721 A L H <5S+ 0 0 66 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.2 0.810 136.6 12.9 -74.2 -33.5 11.6 5.5 37.0 441 722 A N H <5S+ 0 0 67 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.531 124.5 41.3-125.8 -8.0 11.4 6.3 33.3 442 723 A F T <5S+ 0 0 23 -4,-2.8 -49,-0.7 -5,-0.3 2,-0.6 0.683 89.1 83.4-111.9 -25.7 11.6 10.0 32.5 443 724 A L S > - 0 0 0 -2,-0.6 3,-1.7 -55,-0.2 4,-0.6 -0.515 22.5-147.3 -55.9 112.8 17.8 11.4 33.8 445 726 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.629 91.3 72.4 -60.7 -23.6 19.1 9.8 37.1 446 727 A R H 3> S+ 0 0 12 1,-0.2 4,-2.9 2,-0.2 36,-0.2 0.819 92.0 59.4 -62.5 -29.7 22.4 11.7 36.7 447 728 A I H <> S+ 0 0 6 -3,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.906 107.9 43.3 -65.8 -40.3 20.4 14.8 37.7 448 729 A T H X S+ 0 0 0 -4,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.881 112.1 53.2 -75.6 -32.7 19.4 13.2 40.9 449 730 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.924 109.2 49.2 -66.8 -43.3 22.9 12.0 41.5 450 731 A A H X S+ 0 0 7 -4,-2.9 4,-3.7 1,-0.2 -2,-0.2 0.977 112.8 48.6 -57.2 -53.7 24.3 15.5 41.0 451 732 A W H X S+ 0 0 14 -4,-2.0 4,-3.7 1,-0.2 -2,-0.2 0.890 109.2 50.3 -51.3 -55.3 21.8 16.9 43.4 452 733 A C H <>S+ 0 0 3 -4,-2.7 5,-3.8 1,-0.2 -1,-0.2 0.904 115.8 44.6 -53.8 -40.9 22.3 14.4 46.1 453 734 A K H ><5S+ 0 0 86 -4,-2.0 3,-1.7 3,-0.2 -2,-0.2 0.957 113.0 49.9 -67.6 -52.1 26.0 15.1 45.9 454 735 A K H 3<5S+ 0 0 117 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.935 119.2 37.7 -51.8 -53.5 25.5 18.8 45.7 455 736 A W T 3<5S- 0 0 41 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.2 0.273 110.2-118.2 -87.7 18.2 23.3 18.8 48.7 456 737 A G T < 5 + 0 0 56 -3,-1.7 -3,-0.2 1,-0.2 -4,-0.1 0.919 63.8 149.5 47.6 45.5 25.2 16.1 50.6 457 738 A V < - 0 0 4 -5,-3.8 -1,-0.2 -6,-0.2 2,-0.2 -0.977 50.4-117.5-113.7 121.9 22.1 13.9 50.5 458 739 A P > - 0 0 43 0, 0.0 3,-3.6 0, 0.0 4,-0.4 -0.393 13.4-134.4 -64.2 125.1 22.7 10.2 50.4 459 740 A I G >> S+ 0 0 31 1,-0.3 3,-3.7 -2,-0.2 4,-2.6 0.862 104.2 70.3 -44.3 -44.7 21.4 8.6 47.3 460 741 A E G 34 S+ 0 0 143 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.709 90.6 62.8 -45.4 -30.2 19.9 5.9 49.5 461 742 A K G <4 S+ 0 0 129 -3,-3.6 -1,-0.3 1,-0.1 -2,-0.2 0.696 119.1 22.3 -72.2 -20.0 17.5 8.6 50.7 462 743 A I T <4 S+ 0 0 10 -3,-3.7 2,-0.4 -4,-0.4 -2,-0.2 0.785 119.3 53.8-112.8 -48.6 16.1 9.0 47.2 463 744 A Y S < S- 0 0 2 -4,-2.6 -1,-0.2 -5,-0.1 2,-0.1 -0.779 72.7-139.5 -98.3 134.4 16.7 5.8 45.3 464 745 A N > - 0 0 68 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.269 35.5 -92.7 -81.7 169.9 15.7 2.4 46.6 465 746 A K H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.947 126.8 45.7 -42.5 -65.6 17.8 -0.7 46.3 466 747 A T H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 113.9 48.6 -46.5 -53.3 16.2 -1.8 43.0 467 748 A Q H > S+ 0 0 22 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.797 107.6 55.3 -58.7 -39.0 16.5 1.8 41.5 468 749 A R H X S+ 0 0 86 -4,-2.5 4,-0.7 -3,-0.3 -1,-0.2 0.899 107.2 49.6 -63.0 -42.4 20.1 2.1 42.4 469 750 A E H >< S+ 0 0 111 -4,-2.0 3,-0.7 -5,-0.2 -2,-0.2 0.924 113.1 48.9 -63.7 -39.5 20.9 -1.1 40.6 470 751 A K H 3< S+ 0 0 28 -4,-2.2 3,-0.4 1,-0.2 -2,-0.2 0.931 119.8 35.0 -66.9 -43.3 19.0 0.4 37.7 471 752 A F H 3X S+ 0 0 0 -4,-3.2 4,-3.3 1,-0.2 -1,-0.2 0.285 78.3 121.5 -96.3 14.7 20.8 3.7 37.8 472 753 A A H S+ 0 0 4 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.998 113.3 42.9 -61.8 -59.1 25.8 3.9 35.7 474 755 A A H 4 S+ 0 0 0 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.886 116.4 50.3 -50.3 -46.6 24.3 7.3 36.5 475 756 A I H >< S+ 0 0 35 -4,-3.3 3,-0.6 -7,-0.2 -1,-0.2 0.974 114.4 41.1 -60.8 -52.8 25.2 6.7 40.1 476 757 A D H 3< S+ 0 0 79 -4,-3.6 2,-0.3 1,-0.2 -2,-0.2 0.764 118.8 44.0 -71.2 -21.2 28.9 5.8 39.4 477 758 A M T 3< S+ 0 0 62 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.457 86.4 103.2-124.1 64.1 29.6 8.3 36.7 478 759 A A < - 0 0 14 -3,-0.6 2,-0.1 -2,-0.3 -31,-0.0 -0.976 52.0-141.2-149.8 133.3 28.2 11.6 37.8 479 760 A D > - 0 0 58 -2,-0.4 3,-1.2 1,-0.1 -26,-0.1 -0.359 29.2-120.5 -82.9 163.4 29.6 14.9 39.1 480 761 A E T 3 S+ 0 0 119 1,-0.2 -26,-0.3 -27,-0.1 -1,-0.1 0.867 120.9 56.4 -63.2 -35.7 27.9 17.0 41.8 481 762 A D T 3 S+ 0 0 83 -28,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.069 74.0 134.7 -84.9 20.0 28.2 19.4 38.8 482 763 A Y < - 0 0 35 -3,-1.2 2,-0.4 -36,-0.2 -4,-0.0 -0.485 33.1-171.7 -69.0 146.1 26.3 17.3 36.3 483 764 A E 0 0 83 1,-0.1 -2,-0.1 -2,-0.1 -36,-0.0 -0.929 360.0 360.0-145.4 112.5 23.8 19.6 34.4 484 765 A F 0 0 7 -2,-0.4 -1,-0.1 -91,-0.1 -235,-0.1 0.853 360.0 360.0 -51.5 360.0 21.3 18.0 32.0