NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 398 S 4.4646 8.1933 116.7948 58.4383 65.2868 173.8088 399 S 4.5744 7.8568 117.1673 57.3818 62.9191 172.6443 400 L 4.6355 8.5257 122.4102 55.9994 47.1700 177.5577 401 I 3.7800 7.7831 118.8296 63.9707 36.8715 178.2920 402 K 3.9274 7.9324 120.8513 59.3428 31.9902 178.8181 403 K 3.9322 7.9270 119.4586 59.4646 31.9637 178.7568 404 I 3.7161 7.8070 120.1587 64.4854 36.9851 178.3249 405 E 4.0119 8.3877 119.3491 59.0682 29.0438 178.9642 406 E 4.1101 8.2917 119.7312 58.8818 29.8717 178.4187 407 N 4.3543 8.4506 117.1808 56.2629 38.5420 177.2505 408 E 4.0854 7.9843 119.1159 59.4255 29.5775 179.1308 409 R 3.8993 7.7046 118.2793 58.8320 30.0569 178.3573 410 K 3.8921 7.8470 119.6955 59.4972 32.2754 178.2802 411 D 4.3367 7.6615 117.7242 57.9645 40.7539 178.9877 412 T 3.9102 7.6900 115.7185 66.7063 68.4350 176.5632 413 L 3.9872 8.2372 121.0758 57.9418 41.4081 179.3852 414 N 4.3712 7.9769 115.3720 56.4993 38.8108 177.3505 415 T 4.0314 7.7830 116.5416 66.6882 68.3974 176.4786 416 L 4.1528 7.9034 119.4987 58.3127 42.0738 179.5036 417 Q 4.2687 8.2171 117.6369 58.6698 28.2916 177.4793 418 N 4.5507 7.6859 116.3315 53.6924 39.3787 175.5091 *420 F 4.4613 7.8636 115.2164 55.7968 39.8717 173.8728 421 P 4.6542 0.0000 0.0000 65.1301 32.0908 177.9950 422 D 4.4881 7.2074 118.7879 52.8897 39.6987 176.6019 *424 D 4.3499 7.5913 118.0768 53.4690 43.2062 172.9294 425 P 4.2991 0.0000 0.0000 65.8409 31.4481 178.7512 426 S 4.1586 8.4878 113.1096 61.1060 62.9024 176.4362 427 L 3.8879 7.9311 123.4416 58.1162 41.9991 178.6442 428 I 3.6275 7.6949 119.7786 64.4379 36.9247 177.9649 429 E 3.9309 8.2128 119.9828 59.4979 29.5682 178.7162 430 D 4.3207 7.9760 118.4362 57.1229 40.8284 179.0026 431 V 3.5443 7.8305 118.9305 66.0399 31.3268 177.8553 432 C 4.0935 8.1947 115.6288 62.9890 28.0981 175.7422 433 I 3.8105 7.6974 119.7600 64.5001 36.8148 178.0793 434 A 4.1070 7.8165 119.2596 53.1889 18.7146 177.8951 435 A 3.9197 7.3588 120.3251 51.6329 18.9387 177.1714 436 A 4.0123 9.0378 124.0519 52.8004 19.3188 177.2028 437 S 4.0378 7.3000 108.0322 55.9960 65.6719 173.4087 *440 G 3.9095 7.9290 107.2723 46.1625 0.0000 172.8870 441 P 5.0735 0.0000 0.0000 64.5021 32.0457 178.6955 442 C 4.0705 8.2237 114.1259 63.0179 27.9957 175.1456 443 V 3.8000 7.4404 116.0725 64.0222 31.5397 175.4890 444 D 4.5264 9.2562 125.4799 55.1868 40.7713 176.0665 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 398 S 8.19 4.46 0.00 3.90 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 0.00 399 S 7.86 4.57 0.00 3.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 400 L 8.53 4.64 0.00 1.61 1.55 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 401 I 7.78 3.78 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.41 0.91 0.00 0.00 402 K 7.93 3.93 0.00 1.90 1.79 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.58 7.81 403 K 7.93 3.93 0.00 1.83 1.84 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.48 7.81 404 I 7.81 3.72 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.32 0.91 0.00 0.00 405 E 8.39 4.01 0.00 2.09 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 2.51 2.46 0.00 406 E 8.29 4.11 0.00 2.24 2.10 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 2.30 2.34 0.00 407 N 8.45 4.35 0.00 2.90 2.85 0.00 0.00 6.73 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 408 E 7.98 4.09 0.00 2.14 2.21 0.00 0.00 0.00 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 2.31 0.00 409 R 7.70 3.90 0.00 2.07 2.10 0.00 3.09 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 410 K 7.85 3.89 0.00 1.99 1.97 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.53 7.81 411 D 7.66 4.34 0.00 3.01 2.71 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 0.00 412 T 7.69 3.91 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 1.22 0.00 0.00 413 L 8.24 3.99 0.00 1.87 1.73 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 414 N 7.98 4.37 0.00 2.87 2.89 0.00 0.00 7.09 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 0.00 415 T 7.78 4.03 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 416 L 7.90 4.15 0.00 1.77 1.79 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 417 Q 8.22 4.27 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.12 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 418 N 7.69 4.55 0.00 2.91 2.90 0.00 0.00 7.20 7.01 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 *420 F 7.86 4.46 0.00 3.33 3.08 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 0.00 0.00 0.00 0.00 421 P 0.00 4.65 0.00 2.18 2.20 0.00 3.30 0.00 0.00 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 422 D 7.21 4.49 0.00 2.74 2.71 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 *424 D 7.59 4.35 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.30 0.00 2.20 2.10 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 426 S 8.49 4.16 0.00 4.05 4.12 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 0.00 427 L 7.93 3.89 0.00 1.76 1.91 0.89 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 428 I 7.69 3.63 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.53 0.88 0.00 0.00 429 E 8.21 3.93 0.00 2.04 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 0.00 2.30 2.34 0.00 430 D 7.98 4.32 0.00 2.88 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 0.00 431 V 7.83 3.54 2.17 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 0.95 0.00 0.00 0.92 0.00 0.00 432 C 8.19 4.09 0.00 3.07 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 0.00 433 I 7.70 3.81 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.90 0.00 0.00 434 A 7.82 4.11 1.34 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 0.00 0.00 0.00 435 A 7.36 3.92 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 0.00 436 A 9.04 4.01 1.27 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 0.00 0.00 437 S 7.30 4.04 0.00 3.91 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 *440 G 7.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 441 P 0.00 5.07 0.00 2.19 2.11 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 442 C 8.22 4.07 0.00 2.96 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 0.00 443 V 7.44 3.80 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.93 0.00 0.00 444 D 9.26 4.53 0.00 2.94 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.