NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 401 A 4.0551 8.1233 122.4571 52.0165 20.7465 175.7534 *403 D 4.6501 8.5796 119.3344 54.4508 40.7577 175.8252 404 C 4.4962 8.8030 121.1657 59.6872 41.8807 173.7996 405 A 4.6656 7.3618 117.2727 51.0816 22.3091 175.5686 406 K 4.8064 8.1979 120.2926 53.6175 35.7013 176.8213 407 G 3.8698 7.5671 112.8320 45.5059 0.0000 171.6331 408 K 4.5983 7.9529 118.6136 55.8652 32.8729 176.7556 409 I 4.1586 8.0597 122.3753 60.8024 37.6500 175.7668 410 E 4.2852 9.1467 128.4929 58.9222 29.9986 176.5564 411 F 5.1211 7.3208 111.9747 56.0572 40.9643 172.6791 412 S 5.2178 8.8723 113.5166 56.7621 66.5928 173.1870 413 K 4.5558 8.2836 121.6695 55.3425 35.7816 173.9509 414 Y 4.8936 8.8291 129.0033 56.8980 39.8536 174.6259 415 N 4.8794 8.6077 124.4529 51.5071 40.5011 175.8647 416 E 4.0640 8.6449 120.6266 59.0332 29.8334 177.1167 417 D 4.6418 7.9690 116.2536 53.0323 39.5764 176.3473 418 N 3.9663 7.9823 115.2655 54.2282 36.6185 174.1664 419 T 4.7359 7.8905 110.0849 60.8305 71.6531 173.1864 420 F 5.3101 9.2038 123.1409 56.9034 42.5772 173.4316 421 T 5.3835 8.7736 122.7216 62.2276 71.1984 174.0120 422 V 4.7416 9.0634 117.1879 59.5226 36.7613 174.1540 423 K 4.6925 8.2149 124.6377 54.5870 34.4380 175.0226 424 V 4.5057 8.3787 126.9746 61.5896 34.9574 175.5641 425 S 3.6005 9.7166 123.4163 59.7732 60.2067 173.7077 426 G 3.9786 8.4305 107.0048 45.5674 0.0000 174.0759 427 R 4.5862 7.7036 118.7564 54.3661 33.2455 174.8460 428 E 4.8852 8.2229 121.4376 55.2388 31.9236 174.8253 429 Y 5.3903 8.9721 120.3224 56.1012 42.8104 174.2376 430 W 6.1737 8.7295 118.7044 54.3756 32.1884 174.0309 431 T 4.5307 8.5789 113.8767 60.1633 70.5527 173.3492 432 N 4.9313 8.5999 123.0840 52.6756 38.0889 174.8102 433 R 4.2476 7.6239 119.5206 55.5056 30.1701 177.0727 434 W 4.7964 9.0182 124.0776 60.4459 28.5923 177.8890 435 N 4.2683 8.5512 115.4098 56.9180 37.9280 177.1653 436 L 4.2223 8.0245 119.1296 57.4599 41.5818 178.8876 437 Q 3.2158 8.2230 119.0538 58.6632 28.6456 177.4505 438 P 4.1846 0.0000 0.0000 65.7459 31.3064 178.5044 439 L 3.8573 7.3339 115.5708 57.6582 41.5164 179.3569 440 L 4.3056 8.7430 119.4425 57.9895 41.6267 179.4138 441 Q 4.1433 8.4429 119.6477 59.4327 29.0289 178.5372 442 S 4.1785 8.3125 116.0215 61.3483 62.8346 176.3923 443 A 4.0947 8.3638 123.8444 55.3652 18.2923 179.5074 444 Q 4.0156 8.4803 118.1317 59.3707 28.9338 178.4111 445 L 4.2597 8.0930 119.3885 56.9166 41.7360 178.3945 446 T 4.5073 7.8715 107.3900 60.5008 69.1595 174.6957 447 G 3.9339 7.6578 107.5613 47.1575 0.0000 174.2957 448 M 4.4033 7.9611 118.2430 55.1133 33.2039 176.3845 449 T 4.4607 8.4505 117.9326 63.1729 70.0384 174.4533 450 V 4.6720 8.6218 119.8307 59.7645 35.4691 175.1146 451 T 4.6029 8.1720 118.8553 61.7711 71.7371 173.3840 452 I 3.8093 8.1175 128.6476 60.5863 38.2855 175.1016 453 I 4.8209 7.8076 128.3424 59.6553 39.0042 174.9679 454 S 4.4182 8.4633 120.4754 57.9176 65.4809 174.2963 455 N 4.4663 8.8764 119.4124 54.8784 38.7091 175.7870 456 T 4.4751 7.7527 108.1823 60.3287 69.8039 174.4640 457 C 4.8388 8.7274 123.2284 56.4215 35.5997 174.0931 458 S 4.4094 7.8102 116.1681 57.4500 63.4850 173.4937 459 S 3.7371 8.4528 117.4928 60.4399 62.2352 174.5817 460 G 4.0697 9.1470 116.4542 45.0986 0.0000 173.7166 461 S 4.6239 7.8394 115.9095 58.0624 64.3841 174.1056 462 G 2.8792 8.2543 109.2657 45.5303 0.0000 172.7599 463 F 4.9487 7.5407 114.0195 55.4025 40.9498 174.2318 464 A 4.4397 8.3651 120.6851 51.7865 20.5261 175.2515 465 E 4.9272 8.2565 119.1321 55.7404 33.1133 174.6124 466 V 4.8344 8.3663 124.4908 60.4626 34.5489 173.0505 467 Q 4.6369 8.5697 123.9279 54.3258 31.8427 173.9258 468 F 5.1844 8.8948 123.7650 55.7698 41.3946 175.1724 469 N 4.7116 8.9914 120.6566 53.3345 38.3844 174.6365 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 A 8.12 4.06 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 *403 D 8.58 4.65 0.00 2.52 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.80 4.50 0.00 2.46 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.36 4.67 1.11 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 0.00 0.00 0.00 0.00 0.00 406 K 8.20 4.81 0.00 1.58 1.58 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.30 7.81 407 G 7.57 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 0.00 0.00 0.00 408 K 7.95 4.60 0.00 1.77 1.77 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.41 7.81 409 I 8.06 4.16 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.51 0.96 0.00 0.00 410 E 9.15 4.29 0.00 1.95 1.82 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 2.44 2.30 0.00 411 F 7.32 5.12 0.00 3.09 3.12 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 0.00 412 S 8.87 5.22 0.00 3.55 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 0.00 413 K 8.28 4.56 0.00 1.93 1.69 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.41 7.81 414 Y 8.83 4.89 0.00 3.39 2.98 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 0.00 415 N 8.61 4.88 0.00 2.88 2.64 0.00 0.00 6.23 7.97 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 0.00 416 E 8.64 4.06 0.00 1.95 1.98 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 2.31 2.34 0.00 417 D 7.97 4.64 0.00 2.76 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 0.00 418 N 7.98 3.97 0.00 3.28 3.21 0.00 0.00 6.87 7.05 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 0.00 419 T 7.89 4.74 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 420 F 9.20 5.31 0.00 3.17 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 0.00 421 T 8.77 5.38 4.26 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 1.29 0.00 0.00 422 V 9.06 4.74 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 0.89 0.00 0.00 1.05 0.00 0.00 423 K 8.21 4.69 0.00 0.79 0.86 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.13 1.23 7.81 424 V 8.38 4.51 2.05 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 0.89 0.00 0.00 0.84 0.00 0.00 425 S 9.72 3.60 0.00 4.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 G 8.43 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 0.00 427 R 7.70 4.59 0.00 1.79 1.36 0.00 3.12 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 428 E 8.22 4.89 0.00 1.84 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 2.12 2.20 0.00 429 Y 8.97 5.39 0.00 2.71 2.87 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 0.00 430 W 8.73 6.17 0.00 3.57 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 0.00 431 T 8.58 4.53 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 1.22 0.00 0.00 432 N 8.60 4.93 0.00 2.81 3.07 0.00 0.00 6.07 7.66 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 0.00 433 R 7.62 4.25 0.00 1.78 1.93 0.00 3.21 0.00 0.00 3.08 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 434 W 9.02 4.80 0.00 3.24 3.07 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 0.00 0.00 0.00 0.00 435 N 8.55 4.27 0.00 2.85 2.95 0.00 0.00 7.03 6.74 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 0.00 436 L 8.02 4.22 0.00 1.95 1.87 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 437 Q 8.22 3.22 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 1.52 2.26 0.00 438 P 0.00 4.18 0.00 2.22 2.25 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.02 0.00 439 L 7.33 3.86 0.00 1.90 1.45 0.84 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 440 L 8.74 4.31 0.00 2.08 2.12 1.41 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 441 Q 8.44 4.14 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.55 0.00 442 S 8.31 4.18 0.00 4.00 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 0.00 443 A 8.36 4.09 1.66 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 0.00 0.00 444 Q 8.48 4.02 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 445 L 8.09 4.26 0.00 1.71 1.75 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 446 T 7.87 4.51 4.26 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 1.23 0.00 0.00 447 G 7.66 3.93 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 0.00 0.00 0.00 448 M 7.96 4.40 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 449 T 8.45 4.46 4.24 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 1.18 0.00 0.00 450 V 8.62 4.67 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 0.76 0.00 0.00 0.75 0.00 0.00 451 T 8.17 4.60 4.07 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 0.00 0.00 0.00 1.11 0.00 0.00 452 I 8.12 3.81 1.04 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.33 -0.28 0.00 0.00 453 I 7.81 4.82 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.59 0.93 0.00 0.00 454 S 8.46 4.42 0.00 3.80 3.61 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 0.00 455 N 8.88 4.47 0.00 2.74 2.84 0.00 0.00 6.74 7.54 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 0.00 456 T 7.75 4.48 4.28 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 0.00 0.00 0.00 1.23 0.00 0.00 457 C 8.73 4.84 0.00 3.01 3.20 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 0.00 458 S 7.81 4.41 0.00 4.01 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 0.00 459 S 8.45 3.74 0.00 3.69 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 460 G 9.15 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 461 S 7.84 4.62 0.00 4.07 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 0.00 462 G 8.25 2.88 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 0.00 0.00 0.00 0.00 463 F 7.54 4.95 0.00 2.99 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 0.00 464 A 8.37 4.44 1.11 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 0.00 0.00 0.00 0.00 0.00 465 E 8.26 4.93 0.00 2.00 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 2.25 2.29 0.00 466 V 8.37 4.83 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 0.80 0.00 0.00 0.24 0.00 0.00 467 Q 8.57 4.64 0.00 2.05 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 468 F 8.89 5.18 0.00 2.92 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 0.00 469 N 8.99 4.71 0.00 2.58 2.70 0.00 0.00 6.91 7.82 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 * Residues marked with a * may have inaccurate shift predictions.