NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 179 K 3.9522 8.3101 120.1267 57.1010 33.3902 173.9719 180 A 3.3810 8.5286 125.3826 51.2457 15.9998 175.8927 181 P 4.2327 0.0000 0.0000 63.1584 33.3839 176.2060 182 A 3.8670 8.8315 125.1587 55.6591 18.1834 179.7499 183 Y 4.2267 8.1048 113.4293 59.6732 38.2671 177.5357 184 Q 3.3023 7.3498 120.9751 57.9693 28.8244 178.2329 185 R 3.4416 6.6630 118.3053 58.5184 30.2952 177.5112 186 F 4.9658 7.5040 115.6307 57.4159 39.9030 177.0376 187 H 4.1253 8.5509 123.3580 59.4556 30.0789 177.4444 188 A 4.0305 9.1314 122.4278 55.1646 18.2648 179.4644 189 L 4.0719 7.6446 114.4603 56.9334 41.7182 177.7828 190 A 4.6131 7.5906 119.0687 51.7535 20.2749 176.6694 191 Q 4.0958 7.8607 116.4059 54.6988 29.0184 174.8270 192 P 4.4474 0.0000 0.0000 62.1163 32.4321 176.1478 193 G 3.9762 8.6442 104.6346 45.1287 0.0000 173.5054 194 L 3.9780 8.2905 121.6313 53.7705 41.9656 175.6530 195 P 4.2839 0.0000 0.0000 63.1534 31.6485 176.7030 196 G 4.3916 8.4491 107.2935 45.2710 0.0000 172.3856 197 L 2.4400 7.3178 124.9143 55.6880 38.3977 175.7096 198 V 4.0375 8.0403 110.0957 61.5219 32.5016 176.0966 199 L 4.7875 8.2319 121.6298 52.7135 43.5838 175.5778 200 P 4.5810 0.0000 0.0000 62.2529 33.5009 176.5740 201 Y 3.8360 9.5849 120.8357 60.9974 38.4501 178.8226 202 K 4.1662 8.0472 116.1485 58.8058 33.0964 177.1181 203 Y 4.7123 7.4987 117.4805 59.7946 39.3700 177.3126 204 Q 4.0802 8.3830 120.9945 59.0291 28.8980 178.5495 205 V 3.5393 7.3820 119.3348 65.0212 31.2734 178.0178 206 L 4.2955 7.8875 118.0393 57.4875 41.7426 179.1571 207 V 4.1103 8.0866 118.2231 66.0274 31.4236 177.6895 208 E 4.3081 8.3335 116.5180 57.0110 29.0372 178.4064 *210 F 4.3591 7.9597 123.1330 58.1363 41.1882 175.8971 211 R 4.0745 8.4629 121.0183 59.6889 30.1726 178.2066 212 S 4.2392 7.7071 109.4265 58.8938 61.9556 174.8342 *214 D 4.4887 8.0938 119.7909 53.9666 42.4776 177.4070 215 T 3.7912 7.3706 112.3196 64.8828 67.2491 176.1810 216 I 3.8191 7.2750 120.8280 64.4868 37.5129 178.5125 217 V 3.8142 7.7197 113.0319 63.9906 31.3941 178.1325 218 S 3.9022 8.0548 114.0438 60.0714 63.2567 176.1345 *220 L 4.1774 7.7973 121.9432 55.5592 43.6640 178.1591 221 H 4.0253 8.7880 118.2296 59.5131 29.8611 177.1377 222 N 4.3374 8.1855 115.2362 55.9430 38.3914 176.0605 223 R 4.3481 7.8991 111.7183 55.5375 29.8058 175.9606 224 S 3.6878 7.8047 112.7684 60.0912 60.4520 170.7640 225 E 4.5439 8.0746 120.0390 54.8337 31.3707 175.7294 226 T 3.9573 8.4615 121.4582 64.1049 69.1520 174.8974 227 V 4.1928 8.5074 128.5416 60.5671 31.8608 175.1728 228 T 4.7602 8.0310 117.6884 60.2127 71.1317 175.9623 229 F 4.1845 9.5539 125.7714 61.6656 39.5081 177.1756 230 A 3.7588 7.8448 119.3846 55.5411 18.2058 179.8876 231 K 3.9151 7.6316 115.1768 59.2127 31.9942 179.8882 232 V 3.4325 7.8045 118.7657 65.8799 31.5404 177.6495 233 K 3.8411 7.5619 119.6250 59.7796 31.7216 178.1055 234 Q 3.9343 7.8766 118.9373 59.1183 28.8143 178.0457 235 G 3.8371 7.5249 105.3158 48.2025 0.0000 175.5262 236 V 3.6576 7.6958 120.7636 64.0337 31.6707 178.2315 237 Q 4.3248 7.9655 120.0506 57.8327 29.5312 176.6523 238 E 4.3009 7.9194 119.6241 56.6075 28.7260 177.8684 *241 R 4.3634 7.2943 112.3323 55.6331 32.0925 175.3190 242 K 4.6581 7.3584 115.6095 54.7720 36.8455 175.7917 243 R 4.2472 8.4275 120.5941 56.1981 30.4668 175.5109 244 F 4.8580 9.5216 127.0056 56.7057 41.1419 173.5518 245 E 4.7333 7.9965 127.3345 54.3331 32.0621 177.0511 246 E 3.2174 8.7391 121.5683 59.8272 29.4663 179.8044 247 R 3.7101 7.9731 117.6906 59.7519 29.7215 177.9285 248 N 4.7201 8.0033 117.5525 55.6986 38.4470 177.3169 249 V 3.7654 7.6296 119.8970 66.1440 31.4939 178.1304 250 G 3.5686 7.9375 104.7473 48.0265 0.0000 175.1846 251 Q 4.1806 8.1264 120.1016 58.9480 28.6368 178.6912 252 I 4.2303 8.1387 119.0886 63.9105 38.2809 177.6976 253 K 4.3409 8.5357 121.1652 60.0356 31.9117 178.4798 254 T 3.9189 8.0617 114.4214 67.1518 68.4505 176.1165 255 V 3.6753 7.8739 118.6726 64.8437 32.8650 175.8024 256 Y 4.9950 7.9880 118.4296 55.1645 39.1470 172.2749 257 P 4.6023 0.0000 0.0000 66.2877 31.9468 178.9275 258 T 4.1021 8.1117 108.9618 62.8031 67.3795 174.5072 259 S 3.4718 8.2350 116.5244 60.7656 63.0415 173.2870 260 Y 5.0414 7.7263 114.6069 56.1197 42.5591 173.6282 261 R 4.6998 9.3724 121.0821 54.6234 33.0583 174.2248 262 F 5.4199 8.8125 123.4826 55.8590 41.6422 174.8310 263 R 4.8083 8.9642 121.3960 54.4171 34.6617 174.3020 264 Q 5.0628 8.7951 122.4046 54.9785 30.1923 174.2102 265 E 4.9341 9.1114 125.5170 54.5709 34.0369 174.4513 266 C 4.7302 8.2695 120.0349 57.5097 34.2378 173.6241 267 N 4.9449 8.4299 120.4838 53.2037 40.4082 174.3317 268 V 3.5414 7.8305 117.3833 62.5323 32.1073 174.3425 269 P 4.3828 0.0000 0.0000 64.8204 31.8378 176.2720 270 T 4.5796 7.4417 111.4135 59.5386 69.3933 173.3310 271 F 4.5660 8.5388 127.6800 58.0832 40.4853 174.8998 272 K 4.1214 7.5497 125.3012 54.4615 35.7986 177.0297 273 D 4.2712 8.2286 123.5832 57.0484 40.8955 176.1286 274 S 4.5519 7.1105 110.4420 57.3174 65.9319 172.6047 275 I 4.7214 7.9608 113.4702 59.0085 40.7189 173.9173 276 K 4.7201 9.1717 119.2136 54.3734 35.4636 177.0226 277 R 3.8582 8.8140 119.9863 59.7901 29.7798 178.4380 278 S 4.3873 8.0121 109.6443 60.4500 63.1653 174.6722 279 D 4.5076 8.4103 120.9374 56.4102 40.9052 176.0268 280 Y 4.6672 7.9647 117.4971 57.4792 38.9914 174.9497 281 Q 4.7208 8.9929 119.9513 54.3470 33.1983 173.4903 282 L 4.8432 8.6461 122.8007 55.3271 43.3084 175.6037 283 T 5.1517 9.4167 116.7197 60.0387 71.9609 173.1287 284 I 4.8155 8.5289 123.4059 59.4775 40.4498 174.6190 285 E 4.7702 9.0762 127.0763 53.4847 32.7867 172.7684 286 P 4.7779 0.0000 0.0000 62.7592 32.1654 175.4721 287 L 4.5348 8.2267 125.1021 52.7880 42.9608 174.6343 288 L 4.6039 8.6279 121.2895 55.2235 42.1374 177.6684 289 G 3.8643 9.3308 115.1886 47.2787 0.0000 174.5812 290 Q 4.8837 6.9570 120.5688 55.9265 31.0003 175.1867 291 E 4.7874 8.5244 105.9600 55.4058 30.5841 174.2945 *294 G 3.7918 7.6415 108.4632 43.6000 0.0000 173.5803 295 A 4.9337 7.9701 128.1951 50.1561 22.4851 174.9803 296 T 4.3723 8.2083 106.2076 60.6216 71.3311 170.9093 297 Q 4.0463 8.9338 125.7697 56.6873 28.9998 173.2995 298 L 4.2811 9.7313 129.0301 53.9206 41.1829 175.8023 299 T 4.2310 7.9596 119.7892 60.6890 68.8626 175.1554 300 A 4.0126 8.7419 127.3877 55.8313 18.2387 180.0222 301 T 3.8144 7.9152 113.9410 67.2872 68.5626 176.3230 302 C 4.2279 8.0952 120.0977 62.0017 31.4332 175.5021 303 L 3.9850 7.8722 120.4639 57.6439 41.3072 178.4928 304 L 4.0136 7.7995 119.9389 58.6417 41.9684 178.9161 305 Q 4.0376 8.1378 117.4279 59.2123 28.6611 179.5123 306 R 4.1093 8.2556 118.7220 59.4049 30.2060 178.7860 307 R 4.0781 8.8977 118.9425 59.9418 29.9952 178.3488 308 Q 4.0082 8.5591 117.8753 58.9476 28.6583 179.0965 309 V 3.3999 7.6979 119.1505 65.8881 31.4809 177.6922 310 F 3.5817 8.0475 120.5214 61.0795 39.0302 176.9975 311 R 3.8073 7.9957 118.1419 59.4888 29.8897 177.9542 312 Q 3.9254 8.3639 119.6609 59.6062 29.0012 178.4257 313 N 4.4463 7.9570 118.5085 55.5935 38.3423 177.4976 314 L 3.6853 7.3928 120.1124 57.5937 41.7061 179.4857 315 V 3.8129 8.1695 118.6007 66.3626 30.9479 177.8259 316 E 4.0551 8.5231 118.4170 59.5611 28.7153 179.5871 317 R 3.9968 7.7995 117.6370 59.1947 30.0676 179.3073 318 V 3.5848 7.7196 117.7360 65.9288 31.4640 177.9013 319 K 4.0348 8.3244 118.3755 59.7237 32.0807 178.3440 320 E 3.9437 8.3515 119.2921 59.7642 29.4684 179.1360 321 Q 4.1119 7.7997 116.6432 59.2651 28.8039 177.9065 322 H 3.1020 8.5441 119.5952 58.9877 29.8058 177.0273 323 K 3.9085 8.2955 121.5125 59.5643 31.9161 178.3031 324 V 3.5420 7.0654 115.8802 66.0004 31.7422 177.3509 325 F 4.2442 8.1682 120.1771 61.1840 39.1234 176.6561 326 L 3.5127 8.3809 119.9199 58.0972 41.7073 178.7003 327 A 4.0703 8.0874 119.4429 53.9397 18.1724 178.0244 328 S 4.5625 7.3714 110.8645 57.8555 63.3266 174.3073 329 L 4.2690 7.0630 120.5630 53.7953 42.6855 176.3805 330 N 4.1916 8.6122 118.9568 56.0871 38.7694 172.7488 331 P 4.6154 0.0000 0.0000 60.5075 32.6119 174.4503 332 P 4.2659 0.0000 0.0000 62.1550 31.2929 174.9713 *334 A 4.1170 8.1864 120.0788 52.8033 19.4714 176.5729 335 V 4.4108 7.9646 119.6135 59.8747 34.9330 173.2257 336 P 4.1758 0.0000 0.0000 63.9117 31.0140 176.1786 337 D 4.3968 8.8752 123.6327 57.5857 40.9258 179.0260 338 D 4.4550 8.0483 116.8141 55.5473 39.5285 177.0812 339 Q 4.2036 8.2453 118.6968 57.1754 29.5454 176.2909 340 L 3.8835 7.2128 118.7228 56.1569 42.6551 176.6227 341 T 4.3430 8.0251 120.8003 64.2751 70.8051 174.0681 342 R 4.1808 6.9474 113.5758 54.8596 31.4094 174.2722 343 W 4.5190 7.8687 119.0712 56.1304 30.1850 175.9341 344 H 4.3562 9.2796 120.4786 55.7493 29.7518 174.4365 345 P 4.4677 0.0000 0.0000 65.6403 30.8519 176.9662 346 R 4.5087 7.9498 115.1379 55.9806 30.5695 177.0152 347 F 3.2563 8.4662 121.8937 61.0333 39.3508 172.6205 348 N 3.8653 7.7039 125.9731 53.3136 36.0357 173.3666 349 V 2.7850 7.3107 123.7706 64.9794 32.0477 177.3979 350 D 4.5802 7.6503 117.4890 54.7328 40.1801 176.0382 351 E 4.3561 7.7388 117.6917 55.7499 30.1105 176.0398 352 V 3.9158 7.1141 111.0136 59.8847 32.5542 173.8294 353 P 4.5058 0.0000 0.0000 62.4353 31.8590 176.1523 354 D 4.5157 8.3751 119.5999 54.4554 41.3352 176.5351 355 I 4.0208 8.2225 123.7151 60.3597 37.0714 175.5208 356 E 4.1839 8.5472 127.3760 54.9792 30.2884 174.2886 357 P 4.7104 0.0000 0.0000 62.3874 32.3050 175.9898 358 A 4.2654 9.0848 125.3989 51.4360 19.2987 176.9266 359 E 4.0069 8.6941 120.4585 56.4907 30.2748 176.2906 360 L 4.6981 8.1466 125.2947 51.7210 45.0044 174.6669 361 P 4.3577 0.0000 0.0000 62.9474 31.9237 175.7804 362 Q 4.5902 8.1226 119.4894 53.1041 31.2916 173.6434 363 P 4.1164 0.0000 0.0000 62.2709 31.4864 176.0290 364 P 4.4342 0.0000 0.0000 61.4948 29.8945 176.6488 365 V 3.8758 7.5263 119.1023 62.1301 31.8078 175.8632 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 179 K 8.31 3.95 0.00 1.72 1.77 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 180 A 8.53 3.38 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.23 0.00 1.70 2.05 0.00 3.28 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 182 A 8.83 3.87 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Y 8.10 4.23 0.00 3.15 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 Q 7.35 3.30 0.00 1.53 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 185 R 6.66 3.44 0.00 1.22 0.66 0.00 2.92 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 186 F 7.50 4.97 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 H 8.55 4.13 0.00 3.52 3.77 0.00 5.59 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 A 9.13 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 7.64 4.07 0.00 1.82 1.81 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 190 A 7.59 4.61 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 Q 7.86 4.10 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 192 P 0.00 4.45 0.00 2.19 2.11 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 193 G 8.64 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 L 8.29 3.98 0.00 1.62 1.64 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 195 P 0.00 4.28 0.00 2.16 2.09 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 196 G 8.45 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.32 2.44 0.00 1.59 1.62 0.70 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 198 V 8.04 4.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.24 0.00 0.00 199 L 8.23 4.79 0.00 1.93 1.72 1.08 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.58 0.00 1.98 1.99 0.00 3.62 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.48 0.00 201 Y 9.58 3.84 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 K 8.05 4.17 0.00 2.05 2.01 0.00 1.45 0.00 0.00 1.40 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.70 7.81 203 Y 7.50 4.71 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 Q 8.38 4.08 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 205 V 7.38 3.54 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.94 0.00 0.00 206 L 7.89 4.30 0.00 2.09 2.28 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 207 V 8.09 4.11 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.13 0.00 0.00 208 E 8.33 4.31 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 *210 F 7.96 4.36 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 211 R 8.46 4.07 0.00 2.01 2.08 0.00 3.17 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 212 S 7.71 4.24 0.00 3.90 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *214 D 8.09 4.49 0.00 1.76 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 T 7.37 3.79 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 216 I 7.28 3.82 1.76 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.79 0.84 0.00 0.00 217 V 7.72 3.81 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.00 0.00 0.00 218 S 8.05 3.90 0.00 3.99 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *220 L 7.80 4.18 0.00 1.87 1.78 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 221 H 8.79 4.03 0.00 3.12 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 N 8.19 4.34 0.00 2.89 2.99 0.00 0.00 7.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 R 7.90 4.35 0.00 1.90 2.00 0.00 3.14 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 224 S 7.80 3.69 0.00 4.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 225 E 8.07 4.54 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 226 T 8.46 3.96 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 227 V 8.51 4.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 228 T 8.03 4.76 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 229 F 9.55 4.18 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 A 7.84 3.76 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 K 7.63 3.92 0.00 1.94 1.82 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.41 7.81 232 V 7.80 3.43 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 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0.00 1.83 1.91 0.00 3.22 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 244 F 9.52 4.86 0.00 2.90 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 E 8.00 4.73 0.00 1.92 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 246 E 8.74 3.22 0.00 1.69 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 247 R 7.97 3.71 0.00 1.77 1.87 0.00 3.15 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 248 N 8.00 4.72 0.00 2.38 2.93 0.00 0.00 6.44 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 249 V 7.63 3.77 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.88 0.00 0.00 250 G 7.94 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 251 Q 8.13 4.18 0.00 2.36 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 252 I 8.14 4.23 2.21 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.57 1.23 0.00 0.00 253 K 8.54 4.34 0.00 1.97 1.92 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.65 1.87 7.81 254 T 8.06 3.92 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 255 V 7.87 3.68 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.69 0.00 0.00 256 Y 7.99 4.99 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 P 0.00 4.60 0.00 2.35 2.40 0.00 3.89 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 258 T 8.11 4.10 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 259 S 8.23 3.47 0.00 2.72 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.86 1.94 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.49 7.81 277 R 8.81 3.86 0.00 1.82 2.01 0.00 3.12 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 278 S 8.01 4.39 0.00 4.05 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 279 D 8.41 4.51 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 280 Y 7.96 4.67 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 281 Q 8.99 4.72 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 282 L 8.65 4.84 0.00 1.76 1.57 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 283 T 9.42 5.15 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 284 I 8.53 4.82 1.73 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 0.18 0.00 0.00 285 E 9.08 4.77 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 286 P 0.00 4.78 0.00 1.96 2.00 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 287 L 8.23 4.53 0.00 1.56 1.57 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 288 L 8.63 4.60 0.00 1.57 0.71 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 289 G 9.33 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 290 Q 6.96 4.88 0.00 2.07 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.42 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 291 E 8.52 4.79 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 *294 G 7.64 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 303 L 7.87 3.98 0.00 1.93 1.72 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 304 L 7.80 4.01 0.00 1.81 1.89 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 305 Q 8.14 4.04 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 306 R 8.26 4.11 0.00 2.26 2.37 0.00 3.18 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.07 0.00 307 R 8.90 4.08 0.00 2.10 2.21 0.00 3.18 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 308 Q 8.56 4.01 0.00 2.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 309 V 7.70 3.40 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.97 0.00 0.00 310 F 8.05 3.58 0.00 2.36 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 311 R 8.00 3.81 0.00 2.11 2.03 0.00 3.24 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 312 Q 8.36 3.93 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 313 N 7.96 4.45 0.00 2.45 2.61 0.00 0.00 6.57 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 314 L 7.39 3.69 0.00 1.82 1.70 0.18 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 315 V 8.17 3.81 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.06 0.00 0.00 316 E 8.52 4.06 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 317 R 7.80 4.00 0.00 2.12 2.13 0.00 2.86 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 318 V 7.72 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.00 0.00 0.79 0.00 0.00 319 K 8.32 4.03 0.00 2.14 2.00 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.87 1.97 7.81 320 E 8.35 3.94 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 321 Q 7.80 4.11 0.00 2.49 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 322 H 8.54 3.10 0.00 2.87 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 323 K 8.30 3.91 0.00 2.01 1.81 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 324 V 7.07 3.54 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.03 0.00 0.00 325 F 8.17 4.24 0.00 3.31 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 326 L 8.38 3.51 0.00 1.77 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 327 A 8.09 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 328 S 7.37 4.56 0.00 3.88 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 329 L 7.06 4.27 0.00 1.54 1.48 0.63 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 330 N 8.61 4.19 0.00 2.62 2.86 0.00 0.00 6.97 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 331 P 0.00 4.62 0.00 2.18 2.02 0.00 3.80 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 332 P 0.00 4.27 0.00 2.01 2.22 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 *334 A 8.19 4.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 335 V 7.96 4.41 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.95 0.00 0.00 336 P 0.00 4.18 0.00 2.34 2.22 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 337 D 8.88 4.40 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 338 D 8.05 4.46 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 339 Q 8.25 4.20 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 340 L 7.21 3.88 0.00 1.69 1.51 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 341 T 8.03 4.34 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 342 R 6.95 4.18 0.00 1.69 1.80 0.00 3.02 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.53 0.00 343 W 7.87 4.52 0.00 3.46 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 344 H 9.28 4.36 0.00 3.45 3.58 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 345 P 0.00 4.47 0.00 2.20 2.20 0.00 3.57 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.94 0.00 346 R 7.95 4.51 0.00 2.28 2.32 0.00 3.32 0.00 0.00 3.34 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 347 F 8.47 3.26 0.00 2.69 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 348 N 7.70 3.87 0.00 2.71 2.56 0.00 0.00 6.92 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 V 7.31 2.79 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.47 0.00 0.00 350 D 7.65 4.58 0.00 2.63 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 351 E 7.74 4.36 0.00 1.68 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 352 V 7.11 3.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.28 0.00 0.00 353 P 0.00 4.51 0.00 2.22 2.07 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 354 D 8.38 4.52 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 355 I 8.22 4.02 1.88 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.46 0.88 0.00 0.00 356 E 8.55 4.18 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 357 P 0.00 4.71 0.00 2.06 2.15 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 358 A 9.08 4.27 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 359 E 8.69 4.01 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.38 0.00 360 L 8.15 4.70 0.00 1.47 1.33 0.62 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 361 P 0.00 4.36 0.00 2.20 2.09 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.29 0.00 362 Q 8.12 4.59 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 363 P 0.00 4.12 0.00 1.91 1.90 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 364 P 0.00 4.43 0.00 2.07 1.99 0.00 2.78 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 365 V 7.53 3.88 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.84 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.