NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 401 M 4.4510 8.1627 118.3250 55.3353 33.6468 173.1566 402 Q 4.9646 8.2337 120.0370 52.4672 31.5883 172.6550 403 I 4.5534 9.0168 119.9820 58.9633 42.1853 173.4263 404 F 5.4327 8.8613 121.2028 55.6850 42.3058 174.8971 405 V 4.7269 8.8233 122.3200 61.2533 33.9944 174.1917 406 K 5.2768 8.9299 128.1107 54.8069 35.0903 176.6515 407 T 4.9847 8.5675 113.9158 60.0612 70.0932 175.3976 408 L 4.3990 8.3739 120.4479 56.0137 41.8202 177.7605 409 T 4.3468 7.8417 108.0860 61.2822 69.0022 175.4224 410 G 3.9911 7.7368 109.5755 45.0486 0.0000 174.2382 411 K 4.2955 8.0412 121.9396 56.8176 33.5010 175.8983 412 T 5.2790 8.2577 121.8829 62.1278 72.7894 173.2243 413 I 4.8479 8.8280 118.9413 59.4314 41.0886 174.4998 414 T 4.9282 8.6663 115.5573 61.1417 70.5678 173.9417 415 L 4.7847 8.3792 122.2214 53.0558 46.4314 174.9319 416 E 4.7494 8.7210 123.8337 55.7406 30.5418 175.5427 417 V 4.6639 9.2935 120.3162 60.2831 36.4569 173.9596 418 E 4.7251 9.7792 119.2676 54.2713 33.4408 175.7658 419 P 4.2444 0.0000 0.0000 65.6547 31.5736 178.6128 420 S 4.3036 7.8906 110.6705 59.7227 63.7176 174.2005 421 D 4.4072 8.0618 123.4366 54.3470 41.0589 176.5280 422 T 4.7792 8.2164 114.4659 61.0724 71.5059 175.8152 423 I 3.7720 8.4444 121.5476 64.3256 36.8212 178.2630 424 E 3.9561 8.2741 120.3096 59.4518 29.3731 178.7704 425 N 4.3335 8.1702 116.4332 56.3072 38.6241 177.5832 426 V 3.5926 7.6106 119.4852 65.9693 31.5571 178.2893 427 K 4.4860 8.4545 119.4163 58.7723 31.8470 179.2548 428 A 3.9961 7.7499 121.3132 55.0722 18.1285 179.8687 429 K 3.9760 8.0260 117.0950 59.5687 32.0700 179.7298 430 I 3.7769 7.7544 120.3227 64.1961 36.9869 178.2035 431 Q 4.2339 8.2407 122.0016 58.7369 28.6873 177.8034 432 D 4.4022 8.1458 118.0155 56.4560 41.2741 177.2404 433 K 4.2848 7.5306 118.9809 57.3904 32.8768 177.1155 434 E 4.6189 8.8859 115.9586 55.2514 31.2802 177.1070 435 G 3.9381 8.4887 107.6271 44.9958 0.0000 173.8368 436 I 3.7378 7.4856 121.2852 60.5189 37.4779 173.7133 437 P 4.2882 0.0000 0.0000 62.0935 31.9479 175.5745 438 P 4.2392 0.0000 0.0000 65.7704 31.3674 177.7868 439 D 4.5729 8.0710 115.0251 54.9747 39.6975 176.3366 440 Q 4.8044 8.1111 118.3765 55.4091 30.6180 175.6567 441 Q 4.5951 7.9315 119.2275 55.7389 30.7014 175.8606 442 R 4.6039 8.5281 120.6350 55.1822 34.1986 174.0269 443 L 4.9931 8.5471 124.6810 53.6010 43.8277 175.9263 444 I 5.6187 9.0492 123.6727 58.8033 40.8638 174.3625 445 F 5.0640 8.4832 126.4785 57.2359 43.1673 173.6407 446 A 3.4421 8.6116 125.7392 53.1419 15.9393 178.2063 447 G 3.8813 8.4385 105.2564 46.9444 0.0000 173.7250 448 K 4.6459 7.8319 118.3146 54.4505 35.8946 174.6415 449 Q 4.6388 8.3881 120.4115 55.6585 29.6144 175.0466 450 L 4.3139 8.6222 126.8458 54.1382 43.2340 176.0287 451 E 4.4646 9.2430 122.5503 55.2726 30.7219 177.1669 452 D 4.4264 9.2254 124.4245 57.5848 41.0844 179.0054 453 G 3.7986 7.9752 105.5229 46.9413 0.0000 174.0871 454 R 4.2592 8.0521 119.9248 55.9720 30.9648 176.0135 455 T 4.9182 8.5516 111.0045 59.8838 71.1695 176.0392 456 L 4.0786 8.6335 122.1786 57.9246 41.8843 180.3135 457 S 4.1748 8.2657 113.8589 61.3787 62.4946 176.2199 458 D 4.2914 7.6044 121.7570 56.7340 40.5218 177.2216 459 Y 4.5963 7.6178 113.7668 56.7026 38.4174 174.7750 460 N 4.2070 7.9707 117.1846 54.4824 38.0019 173.9798 461 I 3.6163 7.8274 117.8268 60.7058 37.2668 175.9473 462 Q 4.5512 8.3027 125.4213 53.3399 31.1976 174.6055 463 K 3.8803 8.3302 119.7712 58.3727 32.2408 176.1828 464 E 3.6302 9.1546 125.7517 57.5503 27.3157 174.8459 465 S 4.6859 7.6313 114.2053 58.6590 64.6807 173.3347 466 T 5.1976 8.6577 118.0587 62.1041 70.4491 173.9626 467 L 5.0398 9.4137 126.6323 53.5805 44.9916 175.0342 468 H 5.3667 9.1202 117.3787 53.9859 32.3380 172.8895 469 L 5.1716 8.9420 123.5604 53.3321 44.8203 175.3260 470 V 4.5637 8.8639 125.5557 61.1297 35.0064 174.0939 471 L 5.0367 8.4776 125.2314 53.4600 43.9597 176.5963 472 R 4.4057 9.1824 122.1769 54.3761 31.5340 174.9668 473 L 4.4845 8.3529 122.2517 54.8562 41.0650 178.4263 474 R 4.0477 7.2704 119.9812 58.1412 30.7692 176.4624 475 G 3.8260 7.9062 112.4894 45.9572 0.0000 172.8078 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 M 8.16 4.45 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 402 Q 8.23 4.96 0.00 2.09 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 1.91 2.26 0.00 403 I 9.02 4.55 1.83 0.00 0.00 0.76 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 0.56 0.76 0.00 0.00 404 F 8.86 5.43 0.00 3.05 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 V 8.82 4.73 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 0.99 0.00 0.00 0.92 0.00 0.00 406 K 8.93 5.28 0.00 1.60 1.68 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.35 7.81 407 T 8.57 4.98 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 0.00 408 L 8.37 4.40 0.00 1.66 1.74 0.90 0.77 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 0.00 409 T 7.84 4.35 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 0.00 410 G 7.74 3.99 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 0.00 0.00 0.00 411 K 8.04 4.30 0.00 1.93 1.69 0.00 1.51 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.48 7.81 412 T 8.26 5.28 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 1.23 0.00 0.00 413 I 8.83 4.85 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.96 0.96 0.00 0.00 414 T 8.67 4.93 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 1.51 0.00 0.00 415 L 8.38 4.78 0.00 1.49 1.47 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 416 E 8.72 4.75 0.00 1.92 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 2.22 2.36 0.00 417 V 9.29 4.66 2.12 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 0.68 0.00 0.00 0.90 0.00 0.00 418 E 9.78 4.73 0.00 1.88 1.75 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 2.19 2.39 0.00 419 P 0.00 4.24 0.00 2.15 2.09 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 420 S 7.89 4.30 0.00 3.96 3.97 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 0.00 421 D 8.06 4.41 0.00 2.79 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 0.00 422 T 8.22 4.78 4.49 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 423 I 8.44 3.77 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.10 0.92 0.00 0.00 424 E 8.27 3.96 0.00 2.11 1.96 0.00 0.00 0.00 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 2.51 0.00 425 N 8.17 4.33 0.00 2.96 2.84 0.00 0.00 6.65 7.09 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 0.00 426 V 7.61 3.59 2.19 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 1.00 0.00 0.00 0.98 0.00 0.00 427 K 8.45 4.49 0.00 2.00 1.84 0.00 1.73 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.51 7.81 428 A 7.75 4.00 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 0.00 429 K 8.03 3.98 0.00 2.02 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.67 7.81 430 I 7.75 3.78 2.13 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 1.40 0.77 0.91 0.00 0.00 431 Q 8.24 4.23 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.22 0.00 432 D 8.15 4.40 0.00 2.81 2.81 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 0.00 0.00 0.00 433 K 7.53 4.28 0.00 1.85 1.80 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.46 7.81 434 E 8.89 4.62 0.00 1.99 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 2.23 2.43 0.00 435 G 8.49 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 436 I 7.49 3.74 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 0.91 0.00 0.00 437 P 0.00 4.29 0.00 2.17 1.99 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 438 P 0.00 4.24 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 439 D 8.07 4.57 0.00 2.79 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.11 4.80 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 441 Q 7.93 4.60 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 442 R 8.53 4.60 0.00 1.85 1.80 0.00 3.43 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 443 L 8.55 4.99 0.00 1.57 1.54 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 444 I 9.05 5.62 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.26 0.99 0.00 0.00 445 F 8.48 5.06 0.00 2.94 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 0.00 446 A 8.61 3.44 1.05 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 0.00 0.00 447 G 8.44 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 0.00 0.00 0.00 448 K 7.83 4.65 0.00 1.88 1.88 0.00 1.35 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.30 7.81 449 Q 8.39 4.64 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 450 L 8.62 4.31 0.00 1.45 1.35 0.63 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 451 E 9.24 4.46 0.00 2.07 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 0.00 2.34 2.39 0.00 452 D 9.23 4.43 0.00 2.80 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 4.26 0.00 2.05 1.54 0.00 3.27 0.00 0.00 3.02 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 455 T 8.55 4.92 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 456 L 8.63 4.08 0.00 1.84 1.70 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 457 S 8.27 4.17 0.00 4.03 4.11 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 0.00 458 D 7.60 4.29 0.00 2.58 2.33 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 0.00 459 Y 7.62 4.60 0.00 2.93 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 0.00 460 N 7.97 4.21 0.00 2.95 3.03 0.00 0.00 7.14 8.10 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 0.00 461 I 7.83 3.62 1.81 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 -0.21 0.24 0.59 0.00 0.00 462 Q 8.30 4.55 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 463 K 8.33 3.88 0.00 1.67 1.71 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.39 7.81 464 E 9.15 3.63 0.00 2.19 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 0.00 2.41 2.31 0.00 465 S 7.63 4.69 0.00 3.59 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 0.00 466 T 8.66 5.20 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 1.20 0.00 0.00 467 L 9.41 5.04 0.00 1.55 1.58 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 468 H 9.12 5.37 0.00 3.07 3.18 0.00 5.55 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 469 L 8.94 5.17 0.00 1.73 1.49 0.95 1.10 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 0.00 470 V 8.86 4.56 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 0.93 0.00 0.00 0.94 0.00 0.00 471 L 8.48 5.04 0.00 1.56 1.56 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 472 R 9.18 4.41 0.00 1.79 1.76 0.00 3.09 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 473 L 8.35 4.48 0.00 1.66 1.68 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 474 R 7.27 4.05 0.00 1.77 1.82 0.00 3.41 0.00 0.00 3.23 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 475 G 7.91 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00