NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 401 Y 4.7614 8.1449 121.7018 57.4701 39.8612 174.0215 402 N 4.4200 8.3198 124.8907 51.1051 39.4641 173.7793 403 S 3.7223 8.2552 120.4379 59.6021 64.1490 174.7487 404 G 3.8947 8.1107 107.4538 46.0920 0.0000 174.1375 405 K 4.1245 8.4209 117.7620 55.6671 32.5269 178.4940 406 L 3.9295 8.4906 120.3910 53.3065 45.4430 176.4175 *409 F 4.8217 8.5536 119.8980 57.3207 40.9217 176.0964 410 V 4.1098 7.6345 112.4295 59.7405 32.5575 175.8133 411 R 3.8742 8.5141 123.0339 56.3393 30.3456 176.7733 412 G 3.7145 8.3370 113.3809 46.1548 0.0000 172.5232 413 N 4.3713 8.1286 115.8191 52.5878 41.3694 174.8980 414 L 3.6395 8.3938 124.2790 56.1032 41.6368 178.5120 *416 R 4.1021 7.9054 116.6735 56.5053 31.3218 176.5553 *418 C 4.8903 8.0205 113.2930 57.1006 42.2942 174.1818 419 K 4.4582 7.8305 119.5394 55.6264 31.8599 176.5433 *422 K 4.2436 7.8140 118.5625 56.3619 33.3070 173.1844 423 C 5.3561 8.8821 119.6253 53.5701 44.4406 173.5280 424 S 5.0249 8.4322 115.3192 56.7346 64.9481 173.0275 425 F 3.0521 8.0240 123.7473 57.9839 38.3052 174.8867 *428 A 3.7866 7.8629 126.8417 51.7690 20.7197 180.3441 429 R 4.3465 7.1930 116.6201 55.3066 29.1020 177.8955 *431 V 4.0613 7.9156 117.0238 62.6881 34.7292 175.7404 432 F 4.5605 7.2702 118.2978 57.7995 36.8144 177.9636 *434 N 4.4745 9.1681 129.0301 54.4457 39.7293 174.8763 435 T 3.9789 8.3024 121.3184 64.0752 68.0189 176.4045 *437 K 3.9784 8.1549 122.5375 56.8513 34.3284 177.7876 438 T 4.1909 7.5864 114.4775 67.2989 68.5708 177.2404 439 T 4.1402 8.2222 114.9704 65.0075 68.4216 175.5758 *441 F 4.7204 8.0508 126.1355 58.0184 41.3481 176.9262 442 W 4.2037 9.0942 130.5044 60.1869 30.2347 178.1185 443 K 4.0060 8.0630 117.9486 59.4414 31.7293 178.6876 444 Q 4.1490 7.8773 113.8534 57.4310 29.0872 176.1892 445 Y 4.0682 6.8682 121.2723 59.3598 39.3563 175.1897 446 V 3.6947 7.6162 123.3825 62.1806 31.6441 172.1627 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 401 Y 8.14 4.76 0.00 3.11 3.02 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 0.00 0.00 0.00 0.00 402 N 8.32 4.42 0.00 2.69 2.61 0.00 0.00 7.15 6.68 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 0.00 403 S 8.26 3.72 0.00 3.71 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 G 8.11 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 405 K 8.42 4.12 0.00 1.59 1.29 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.33 7.81 406 L 8.49 3.93 0.00 1.12 0.29 0.69 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *409 F 8.55 4.82 0.00 3.02 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 410 V 7.63 4.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.94 0.00 0.00 411 R 8.51 3.87 0.00 1.74 1.83 0.00 3.22 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 412 G 8.34 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 413 N 8.13 4.37 0.00 2.59 2.63 0.00 0.00 7.01 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 414 L 8.39 3.64 0.00 1.64 1.61 0.11 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 *416 R 7.91 4.10 0.00 1.80 1.97 0.00 3.27 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 *418 C 8.02 4.89 0.00 3.27 3.30 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 0.00 419 K 7.83 4.46 0.00 1.82 1.88 0.00 2.00 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.59 7.81 *422 K 7.81 4.24 0.00 1.76 1.82 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.54 7.81 423 C 8.88 5.36 0.00 3.15 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 424 S 8.43 5.02 0.00 4.10 4.06 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 0.00 425 F 8.02 3.05 0.00 2.04 2.64 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 0.00 0.00 0.00 *428 A 7.86 3.79 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 429 R 7.19 4.35 0.00 1.29 1.69 0.00 3.15 0.00 0.00 3.01 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.34 0.00 *431 V 7.92 4.06 1.38 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 0.48 0.00 0.00 0.60 0.00 0.00 432 F 7.27 4.56 0.00 3.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *434 N 9.17 4.47 0.00 2.84 2.74 0.00 0.00 6.90 7.22 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 0.00 435 T 8.30 3.98 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 *437 K 8.15 3.98 0.00 1.53 0.74 0.00 1.64 0.00 0.00 1.35 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.30 7.81 438 T 7.59 4.19 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 439 T 8.22 4.14 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 1.35 0.00 0.00 *441 F 8.05 4.72 0.00 3.33 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 442 W 9.09 4.20 0.00 3.90 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 443 K 8.06 4.01 0.00 1.84 1.89 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.15 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.83 7.81 444 Q 7.88 4.15 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 445 Y 6.87 4.07 0.00 2.33 2.39 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 0.00 446 V 7.62 3.69 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.76 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.