NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 401 T 4.5055 8.1593 117.3259 62.7369 70.1445 173.4750 402 P 4.3466 0.0000 0.0000 62.0482 32.8473 174.0022 403 D 4.5825 8.8153 121.4282 55.2268 41.4956 177.0282 404 C 4.8687 9.1589 122.4227 57.7167 45.1861 174.1711 405 V 4.6975 7.2798 116.5391 60.5671 34.6026 173.2256 406 T 4.9189 8.9318 118.1031 60.9393 72.3828 173.8660 407 G 3.9495 7.9447 111.4970 46.2419 0.0000 171.5770 408 K 4.8020 8.1940 119.0434 55.6674 33.3246 177.5940 409 V 3.8645 8.1462 122.2989 62.5748 31.8906 175.5379 410 E 4.2835 8.9289 129.9785 59.1921 30.0238 175.9980 411 Y 5.2640 7.2838 114.8671 57.1670 41.1436 173.0563 412 T 5.0719 8.5869 109.4942 59.9789 72.4932 173.0390 413 K 4.5477 8.2245 123.1629 55.1514 36.0661 174.0416 414 Y 4.7621 8.7447 128.6245 56.8891 39.8391 174.3452 415 N 4.9244 8.3915 124.0115 51.6802 40.5973 175.9190 416 D 4.3979 8.8975 120.6505 57.1105 41.4744 176.6917 417 D 4.6668 8.0212 116.5646 52.9959 39.4881 176.5450 418 D 4.1945 8.0731 117.4790 55.1564 39.1625 174.0137 419 T 4.3968 7.5745 110.7087 60.9823 71.2303 173.3076 420 F 5.1826 8.8928 123.4546 56.8556 42.5005 173.4126 421 T 5.1088 8.6334 123.1685 62.2777 70.7274 174.2239 422 V 4.6599 9.0087 118.0101 59.3398 36.1940 174.4085 423 K 4.5813 8.2654 125.3359 54.5555 34.2986 174.9588 424 V 4.3668 7.9469 127.2629 60.7330 34.7632 174.7484 425 G 3.7307 8.9464 116.6758 47.2798 0.0000 173.6791 426 D 4.9144 8.8492 122.4980 52.3277 39.6536 175.4877 427 K 4.6557 7.8737 118.3851 55.1984 36.5411 174.9245 428 E 4.8816 8.6866 123.2350 55.0985 31.4522 175.0814 429 L 5.3270 8.9664 123.4778 52.9142 46.4454 175.3813 430 A 5.3849 9.2781 122.3444 50.5577 22.9141 174.9900 431 T 4.6222 8.9764 114.5337 60.0089 70.7721 174.0290 432 N 4.6712 8.5466 123.2543 52.5907 38.0613 175.0982 433 R 4.1613 7.5575 119.2968 55.2180 29.8876 176.9018 434 A 3.9628 8.5677 126.5472 55.2635 18.4611 178.6582 435 N 4.3248 8.1463 114.2160 56.1260 38.5145 176.8828 436 L 4.1495 7.9070 119.7134 56.4767 41.8324 179.1178 437 Q 2.8938 7.7449 119.1570 58.7006 28.6328 178.8909 438 S 4.1491 7.7944 114.5303 61.0286 63.2072 176.3353 439 L 3.8397 7.2665 120.4498 57.6026 41.3546 179.3970 440 L 4.3011 8.3710 119.3353 57.8594 41.5763 179.3365 441 L 4.1463 8.1775 120.3137 58.2743 42.0456 179.1480 442 S 4.1279 8.3104 114.9585 61.6137 62.7607 176.5630 443 A 4.1111 8.2516 123.5355 55.0624 17.7196 179.5624 444 Q 3.9294 8.3088 118.1893 59.5008 28.9969 178.4649 445 I 3.8421 8.0132 120.2433 64.2347 37.2830 177.7496 446 T 4.3496 7.9769 107.7184 61.2663 69.1531 175.1166 447 G 3.8721 7.7293 109.3722 46.8008 0.0000 173.9498 448 M 4.3706 7.8795 118.3492 55.3358 33.0634 176.1285 449 T 4.5776 8.5374 118.3771 62.7525 70.3541 174.5018 450 V 4.8529 8.7242 119.2659 59.7505 35.6824 174.6840 451 T 4.8459 8.3944 119.2877 61.8863 71.6730 172.9542 452 I 4.5456 8.5074 127.7484 59.5828 39.2264 174.6827 453 K 4.9096 8.2194 126.8500 55.0599 33.6511 175.7989 454 T 4.4506 8.0817 116.5833 61.5816 70.2768 173.2657 455 N 4.4399 9.1580 124.2231 55.0335 39.9937 175.7943 456 A 4.5104 7.9258 124.6421 51.1274 18.0664 177.5021 457 C 4.6361 7.5654 124.7708 54.2572 44.1131 171.3156 458 H 4.8875 7.2133 117.9126 53.4035 31.5424 173.2703 459 N 4.5969 8.5795 119.2590 55.2757 38.9195 175.0749 460 G 3.9959 9.3618 114.7753 44.9341 0.0000 173.6945 461 G 3.9548 7.4977 107.5472 45.6218 0.0000 173.8114 462 G 5.0623 8.5457 109.3758 46.4707 0.0000 172.5461 463 F 5.2630 8.0384 114.5452 55.8684 40.4102 174.1072 464 S 4.4200 8.8271 110.7962 57.2880 64.7789 173.4603 465 E 4.9010 8.3419 121.6823 54.6032 31.4941 175.3228 466 V 4.8101 8.2786 123.0105 60.0835 34.7731 174.3134 467 I 4.3980 8.6180 125.2245 59.5214 39.5721 174.3565 468 F 5.0747 8.8424 125.3842 55.7656 41.0404 175.9068 469 R 4.3508 8.8949 122.1871 56.3048 30.7530 175.5690 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 T 8.16 4.51 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 1.25 0.00 0.00 402 P 0.00 4.35 0.00 2.18 2.16 0.00 3.70 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 2.22 2.06 0.00 403 D 8.82 4.58 0.00 2.55 2.60 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 0.00 404 C 9.16 4.87 0.00 2.87 3.17 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 0.00 0.00 0.00 0.00 405 V 7.28 4.70 1.99 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 0.60 0.00 0.00 0.90 0.00 0.00 406 T 8.93 4.92 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 1.20 0.00 0.00 407 G 7.94 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 0.00 408 K 8.19 4.80 0.00 1.65 1.75 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.38 7.81 409 V 8.15 3.86 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 0.77 0.00 0.00 0.95 0.00 0.00 410 E 8.93 4.28 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 411 Y 7.28 5.26 0.00 3.06 3.01 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 0.00 412 T 8.59 5.07 3.74 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 1.35 0.00 0.00 413 K 8.22 4.55 0.00 1.83 1.60 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.40 7.81 414 Y 8.74 4.76 0.00 3.24 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 0.00 415 N 8.39 4.92 0.00 2.80 2.67 0.00 0.00 6.24 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 0.00 416 D 8.90 4.40 0.00 2.66 2.73 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 0.00 0.00 0.00 417 D 8.02 4.67 0.00 2.81 2.73 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 0.00 0.00 0.00 418 D 8.07 4.19 0.00 2.86 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 0.00 419 T 7.57 4.40 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 1.19 0.00 0.00 420 F 8.89 5.18 0.00 2.97 2.89 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 0.00 421 T 8.63 5.11 4.17 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 0.00 0.00 0.00 1.28 0.00 0.00 422 V 9.01 4.66 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 0.87 0.00 0.00 0.84 0.00 0.00 423 K 8.27 4.58 0.00 0.79 0.74 0.00 1.38 0.00 0.00 1.46 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.10 1.10 7.81 424 V 7.95 4.37 1.91 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 0.79 0.00 0.00 0.77 0.00 0.00 425 G 8.95 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 426 D 8.85 4.91 0.00 2.76 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 0.00 427 K 7.87 4.66 0.00 1.58 1.61 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.47 7.81 428 E 8.69 4.88 0.00 1.93 1.88 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 2.33 2.37 0.00 429 L 8.97 5.33 0.00 1.37 1.63 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 430 A 9.28 5.38 1.21 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 0.00 0.00 0.00 0.00 0.00 431 T 8.98 4.62 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 1.12 0.00 0.00 432 N 8.55 4.67 0.00 2.80 2.82 0.00 0.00 6.10 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 7.56 4.16 0.00 1.79 1.88 0.00 3.26 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 434 A 8.57 3.96 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 0.00 435 N 8.15 4.32 0.00 2.73 2.88 0.00 0.00 7.18 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 7.91 4.15 0.00 1.87 1.82 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 437 Q 7.74 2.89 0.00 1.89 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 1.59 2.17 0.00 438 S 7.79 4.15 0.00 4.00 4.05 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 0.00 439 L 7.27 3.84 0.00 1.96 1.36 0.89 0.37 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 0.00 440 L 8.37 4.30 0.00 2.05 2.06 1.36 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 441 L 8.18 4.15 0.00 1.94 1.73 1.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 442 S 8.31 4.13 0.00 4.03 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 0.00 443 A 8.25 4.11 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.93 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.61 0.00 445 I 8.01 3.84 1.90 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 1.62 0.83 0.93 0.00 0.00 446 T 7.98 4.35 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 1.25 0.00 0.00 447 G 7.73 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 0.00 448 M 7.88 4.37 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 449 T 8.54 4.58 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 1.19 0.00 0.00 450 V 8.72 4.85 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 0.72 0.00 0.00 0.85 0.00 0.00 451 T 8.39 4.85 4.14 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 1.13 0.00 0.00 452 I 8.51 4.55 1.54 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.42 0.23 0.00 0.00 453 K 8.22 4.91 0.00 1.63 1.77 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.30 7.81 454 T 8.08 4.45 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 1.20 0.00 0.00 455 N 9.16 4.44 0.00 2.77 2.87 0.00 0.00 6.86 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 0.00 456 A 7.93 4.51 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 0.00 457 C 7.57 4.64 0.00 3.09 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 0.00 458 H 7.21 4.89 0.00 3.35 3.35 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 459 N 8.58 4.60 0.00 2.72 2.81 0.00 0.00 7.17 7.98 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 0.00 460 G 9.36 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.50 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 0.00 462 G 8.55 5.06 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 0.00 0.00 0.00 463 F 8.04 5.26 0.00 3.00 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 0.00 464 S 8.83 4.42 0.00 3.90 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 0.00 465 E 8.34 4.90 0.00 2.16 1.91 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 2.34 2.32 0.00 466 V 8.28 4.81 2.04 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 0.59 0.00 0.00 0.01 0.00 0.00 467 I 8.62 4.40 1.77 0.00 0.00 0.83 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 0.71 0.90 0.00 0.00 468 F 8.84 5.07 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 R 8.89 4.35 0.00 1.87 1.78 0.00 3.14 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00