NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 404 M 4.5057 8.1633 120.6201 55.3012 34.2353 173.9725 405 K 4.6404 8.5789 125.4749 55.3929 33.9694 174.0482 406 L 5.2951 9.8379 126.5449 53.2157 44.8206 175.2596 407 Y 4.9801 9.3258 122.9705 57.5668 39.7911 174.7366 408 F 5.8661 9.1444 117.4253 53.1054 41.3957 175.1543 409 N 4.8610 8.7362 120.9704 52.2065 35.5158 175.9941 410 G 4.1904 7.2916 106.3861 44.9804 0.0000 171.1784 411 G 4.3073 8.1572 117.0197 44.2377 0.0000 173.4178 412 K 4.0421 8.9196 120.5969 59.6644 32.1193 178.1579 413 K 4.2080 7.7342 115.7942 57.0525 31.7876 177.3587 *418 A 4.3514 7.9876 119.6864 51.8506 20.2147 179.2894 419 V 3.8529 7.9354 120.2439 66.3219 32.1635 176.5361 420 D 4.9280 7.7842 124.9709 53.4951 40.2728 177.7430 421 F 4.3701 8.6855 121.2358 57.5072 38.1765 175.7825 422 V 3.8758 8.1706 122.4013 64.0613 31.3459 177.3664 423 G 3.5296 7.8231 105.0369 48.9610 0.0000 175.7086 424 T 3.9731 7.3644 118.1769 66.0831 68.4548 177.1512 425 I 3.5033 7.1361 121.7069 64.1743 36.8623 178.2936 426 A 4.0640 8.1532 120.7503 54.1781 18.2495 178.7337 427 K 4.2321 7.3490 114.5983 55.6688 33.0947 177.1602 428 I 3.7601 7.2307 122.3207 60.5823 37.6285 174.9627 429 D 4.3781 8.6474 123.9621 56.3516 41.1042 176.5711 430 G 3.9472 9.1950 113.8540 45.5310 0.0000 172.6952 431 V 4.6512 7.5985 117.7437 60.8365 34.6093 174.4515 432 S 4.6437 8.8228 118.2890 56.3154 66.4955 174.5226 433 A 3.9444 8.6028 122.0011 55.4670 17.9715 179.3326 434 D 4.4867 7.8146 114.1546 56.6122 41.0749 176.7744 435 D 4.6977 8.3098 118.6789 53.9066 41.2406 175.5060 436 I 4.7025 7.6433 121.6507 59.6830 38.9294 175.1655 437 G 4.2319 8.6148 120.7399 46.0814 0.0000 173.7818 438 I 4.0656 8.5176 124.9133 61.4600 38.4902 174.8478 439 I 4.6574 8.2749 126.5289 59.8384 39.2733 175.0013 440 T 4.3258 8.5708 123.6957 61.5420 71.2948 172.9348 441 I 4.4045 8.2129 126.9372 59.8578 39.5377 174.7364 442 M 4.7040 8.1554 126.8586 53.4765 35.6524 176.3144 443 D 4.2741 8.9050 117.9788 57.8546 40.9404 178.1623 444 N 4.7877 7.9483 111.4717 52.6965 39.7231 173.7052 445 A 4.6109 7.3205 119.1739 51.2567 23.0551 175.4837 446 S 4.6731 8.0868 114.0365 57.2991 67.9651 172.7843 447 Y 5.3323 8.1444 118.7931 55.7847 41.7660 174.1551 448 V 4.9607 8.7731 119.0583 60.0283 35.3859 173.9355 449 E 4.6657 9.3516 126.0214 56.0501 30.6607 175.0320 450 I 4.7557 8.9220 128.9805 60.1948 38.7994 175.9751 451 L 4.3926 8.9323 127.6042 53.1468 44.3360 176.0327 452 N 3.9147 9.5846 113.5548 54.5762 35.9670 175.6231 453 G 3.9135 8.3695 102.6579 46.7463 0.0000 175.5888 454 K 4.4870 7.9878 118.0146 56.0380 32.0788 178.6156 455 G 3.7208 7.9802 107.7588 47.6987 0.0000 173.9353 456 P 4.2701 0.0000 0.0000 65.2778 31.2744 178.2681 457 H 4.1586 8.1337 116.4410 59.3229 29.9227 177.2564 458 V 3.4337 7.9641 120.2508 65.7833 31.3384 177.6407 459 L 3.9561 8.1891 120.1961 58.2700 41.7730 179.1354 460 K 3.9913 7.7735 116.9565 59.4783 32.1705 179.2642 461 V 3.7079 7.9471 118.6276 66.1840 31.3841 177.9262 462 M 4.0952 8.4519 118.2237 57.4414 31.5689 178.1638 463 K 4.3334 7.7857 117.0269 57.7136 32.3397 177.0427 464 N 4.9999 8.0469 115.1362 52.7505 39.7208 173.9946 465 T 4.5624 7.6099 115.5002 61.7450 71.2627 174.0342 466 T 4.3676 8.3777 116.4661 61.0820 70.1500 174.4767 467 V 3.9767 8.0889 120.7233 63.6175 33.7242 175.1018 *471 Q 4.0663 7.8027 118.8818 55.5905 28.5246 174.2876 472 L 4.3390 8.1487 123.6029 54.0902 42.7576 176.8088 473 K 4.4958 9.1964 120.7724 55.8736 33.1358 176.5042 474 V 5.6094 8.5751 118.1922 59.0661 34.6731 174.6424 475 N 4.9519 8.4697 119.0376 51.6803 40.4942 173.5800 476 K 4.2815 8.6687 119.7856 56.5681 32.3019 176.5724 477 A 4.0911 9.8180 128.5949 53.8023 17.9533 177.1511 478 N 4.2142 7.2543 117.8511 52.4055 39.3387 174.7773 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 404 M 8.16 4.51 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 405 K 8.58 4.64 0.00 1.76 1.56 0.00 1.47 0.00 0.00 1.23 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.63 7.81 406 L 9.84 5.30 0.00 1.74 1.74 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 407 Y 9.33 4.98 0.00 3.32 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 0.00 408 F 9.14 5.87 0.00 3.04 2.99 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 0.00 409 N 8.74 4.86 0.00 2.77 2.97 0.00 0.00 5.84 7.00 0.00 0.00 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 G 7.29 4.19 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 0.00 0.00 0.00 411 G 8.16 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.92 4.04 0.00 1.70 1.86 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.78 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.49 7.81 413 K 7.73 4.21 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 *418 A 7.99 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 3.85 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 0.77 0.00 0.00 0.94 0.00 0.00 420 D 7.78 4.93 0.00 2.82 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.69 4.37 0.00 2.83 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 422 V 8.17 3.88 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 1.09 0.00 0.00 1.03 0.00 0.00 423 G 7.82 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 0.00 0.00 0.00 424 T 7.36 3.97 3.88 0.00 0.00 0.00 0.00 0.00 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 0.00 425 I 7.14 3.50 1.79 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.16 0.80 0.00 0.00 426 A 8.15 4.06 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.35 4.23 0.00 1.83 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.14 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.42 7.81 428 I 7.23 3.76 1.91 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.93 0.82 0.00 0.00 429 D 8.65 4.38 0.00 2.61 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 G 9.20 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 431 V 7.60 4.65 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 0.83 0.00 0.00 1.01 0.00 0.00 432 S 8.82 4.64 0.00 3.98 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 433 A 8.60 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 D 7.81 4.49 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.70 0.00 2.78 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 0.00 436 I 7.64 4.70 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.93 0.00 0.00 437 G 8.61 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 0.00 0.00 0.00 0.00 438 I 8.52 4.07 1.90 0.00 0.00 0.88 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 0.70 0.89 0.00 0.00 439 I 8.27 4.66 1.86 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 1.41 0.60 0.93 0.00 0.00 440 T 8.57 4.33 2.69 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 0.00 0.00 0.83 0.00 0.00 441 I 8.21 4.40 1.77 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 1.23 0.48 0.81 0.00 0.00 442 M 8.16 4.70 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 443 D 8.90 4.27 0.00 2.69 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 N 7.95 4.79 0.00 2.66 2.77 0.00 0.00 6.62 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 445 A 7.32 4.61 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.09 4.67 0.00 2.72 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 0.00 447 Y 8.14 5.33 0.00 2.70 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 0.00 0.00 0.00 448 V 8.77 4.96 2.29 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 1.10 0.00 0.00 1.03 0.00 0.00 449 E 9.35 4.67 0.00 2.21 1.93 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 2.35 2.38 0.00 450 I 8.92 4.76 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.98 0.00 0.00 451 L 8.93 4.39 0.00 1.57 1.61 0.99 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 452 N 9.58 3.91 0.00 2.85 2.88 0.00 0.00 6.87 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 G 8.37 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 0.00 454 K 7.99 4.49 0.00 1.86 1.88 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.71 7.81 455 G 7.98 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 456 P 0.00 4.27 0.00 2.19 2.14 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 457 H 8.13 4.16 0.00 3.22 3.48 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 458 V 7.96 3.43 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 0.93 0.00 0.00 0.97 0.00 0.00 459 L 8.19 3.96 0.00 1.83 1.85 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 460 K 7.77 3.99 0.00 1.79 1.87 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.58 7.81 461 V 7.95 3.71 1.94 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 1.04 0.00 0.00 0.78 0.00 0.00 462 M 8.45 4.10 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.79 0.00 463 K 7.79 4.33 0.00 1.92 1.88 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.70 1.64 7.81 464 N 8.05 5.00 0.00 2.79 2.77 0.00 0.00 6.73 8.27 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 0.00 465 T 7.61 4.56 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 0.00 466 T 8.38 4.37 4.25 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 1.22 0.00 0.00 467 V 8.09 3.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.91 0.00 0.00 *471 Q 7.80 4.07 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 472 L 8.15 4.34 0.00 1.87 1.86 1.12 1.11 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 0.00 473 K 9.20 4.50 0.00 1.77 1.79 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.46 7.81 474 V 8.58 5.61 2.23 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 0.70 0.00 0.00 1.01 0.00 0.00 475 N 8.47 4.95 0.00 2.82 2.90 0.00 0.00 6.20 7.87 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 0.00 476 K 8.67 4.28 0.00 1.69 1.83 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.76 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.49 7.81 477 A 9.82 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 478 N 7.25 4.21 0.00 2.71 2.66 0.00 0.00 6.79 7.56 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 * Residues marked with a * may have inaccurate shift predictions.