NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 437 S 4.4624 8.3193 117.0890 58.7856 64.1169 173.6581 438 H 4.8567 8.1786 116.1784 54.9529 29.4357 170.4718 439 M 5.2055 8.2724 117.7605 54.2493 35.6572 175.7690 440 C 4.4284 9.2822 126.3068 59.7421 32.2611 174.4836 441 L 4.1788 8.9530 126.3208 56.6148 41.8069 178.4234 442 V 3.9310 7.8382 118.0266 64.6745 32.1080 176.1697 443 C 4.9945 7.5819 110.3872 56.2091 30.6473 175.0509 444 S 3.8881 8.2832 115.3412 58.9184 60.9055 169.8909 445 D 4.6057 7.5522 120.8149 53.5380 42.7554 174.6203 446 E 4.2634 8.6330 122.1786 56.3075 29.8401 176.2690 447 A 4.4948 8.6518 129.7301 52.0831 18.8415 177.4039 448 S 4.5185 9.6029 114.8431 57.3433 64.6400 174.8503 449 G 3.6228 7.0002 107.2770 45.9815 0.0000 169.8663 450 C 4.7816 8.0054 121.4653 58.0799 32.0254 173.3522 451 H 4.6568 8.7175 125.0461 55.2976 31.1141 173.8662 452 Y 4.0593 9.2176 120.4140 59.0494 35.4385 172.3712 453 G 4.0073 9.1211 107.8788 44.8626 0.0000 174.2471 454 V 4.4502 7.6241 119.0624 60.4523 35.5593 174.2826 455 L 4.6121 8.4669 128.9375 55.6666 42.9779 175.6389 456 T 5.1173 8.8205 116.0967 60.1761 72.9629 173.3491 457 C 4.8259 8.6964 117.5207 57.4056 31.1126 174.9003 458 G 3.6426 8.0738 108.9424 47.7546 0.0000 176.2990 459 S 4.2569 8.0196 116.1883 61.6587 63.1834 176.2863 460 C 4.3495 8.1041 119.9139 62.0001 27.9634 175.4588 461 K 4.1175 8.1916 121.8736 59.9515 31.7178 179.1568 462 V 3.8959 7.8991 118.5113 64.3502 31.4438 178.0309 463 F 4.1118 8.5646 121.6139 61.1098 39.2509 176.8603 464 F 4.2313 8.7927 120.2878 61.2251 39.2800 176.6851 465 K 3.4916 8.2256 119.2494 59.8000 31.9721 178.8074 466 R 3.8342 8.1088 117.8810 59.0417 29.6869 179.0092 467 A 3.5835 7.3817 119.8475 54.9895 18.3810 179.6020 468 V 3.4524 7.3511 116.0247 65.9290 31.5841 177.8741 469 E 4.0921 8.3408 118.2210 59.5805 29.8060 178.0702 470 G 4.0999 7.8567 107.2229 43.6554 0.0000 172.8922 471 Q 4.2841 7.7609 122.8891 55.3942 30.6947 175.4668 472 H 3.5271 7.2901 112.9528 54.2311 28.7681 174.0843 473 N 4.4810 7.3094 116.8942 53.7604 37.9267 173.4902 474 Y 4.7403 7.0604 116.9744 57.3440 39.7458 175.3837 475 L 4.7716 8.2532 122.7907 53.3130 44.8134 175.7001 476 C 4.3422 8.7591 125.8887 59.1152 32.2433 172.8826 477 A 4.5792 8.5963 127.6037 52.4527 20.2754 178.0079 478 G 4.2216 7.4181 102.3528 45.8816 0.0000 174.7939 479 R 4.5907 8.2810 121.0534 55.7587 30.7754 175.2250 480 N 4.5394 8.6333 111.3749 54.2668 36.0846 174.2504 481 D 4.8901 7.4921 115.9652 52.7171 39.8217 175.5019 482 C 4.2474 8.1887 116.5702 60.8849 28.8889 173.9775 483 I 3.7994 8.2009 124.3683 61.2700 37.2853 175.8627 484 I 4.2401 8.2947 126.3486 59.5707 37.6876 173.9355 485 D 5.8500 7.8807 124.2918 49.7899 42.6562 176.2244 486 K 3.8282 8.7982 119.0576 59.8475 32.3696 177.9703 487 I 3.9950 7.8236 118.7215 63.9890 37.6735 177.6683 488 R 4.3045 9.0189 118.2874 57.1886 29.8402 178.6613 489 R 4.0592 7.8903 116.1970 58.9992 29.3492 178.6627 490 K 4.0460 7.3934 117.7001 58.7443 31.9861 178.7784 491 N 4.7081 8.1968 117.1246 54.9549 39.2532 174.9913 492 C 4.6164 7.5331 122.8398 55.9119 32.4968 171.9933 493 P 4.0305 0.0000 0.0000 64.7363 30.8484 177.9761 494 A 4.3272 7.9411 119.3704 55.8162 18.4180 179.4249 495 C 4.2381 8.0723 114.4915 62.6345 28.2947 176.1645 496 R 3.8384 8.2398 120.8343 59.5633 29.5344 178.0085 497 Y 4.6155 8.7916 119.8556 60.7260 38.7937 177.6373 498 R 3.8221 8.2927 119.8492 59.4415 30.2042 178.7353 499 K 4.0370 8.2659 118.2689 59.3842 32.0590 179.2384 500 C 4.0636 8.1410 117.1172 62.7745 28.1218 176.1029 501 L 3.8642 7.8205 120.6444 57.8659 40.9737 179.4110 502 Q 3.9338 8.1974 118.4476 59.0193 29.0643 177.7641 503 A 4.1755 7.8126 120.3186 53.2118 18.4515 178.2129 504 G 3.9162 7.7347 105.5004 45.2618 0.0000 173.7934 505 M 4.2075 7.2442 119.1733 55.3581 32.3139 175.6711 506 N 5.2411 8.8228 118.7353 51.6712 40.5637 175.7778 507 L 4.1696 8.7393 120.7028 57.5410 41.9737 177.0684 508 E 4.5699 7.9811 117.7848 56.0836 30.1917 177.1991 509 A 4.2980 7.7279 120.3542 54.5401 18.0180 179.8355 510 R 3.8647 7.5892 112.7320 59.8534 30.7069 176.9579 511 K 4.1887 7.8035 122.5544 56.8883 32.1313 177.2165 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 437 S 8.32 4.46 0.00 3.65 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 0.00 438 H 8.18 4.86 0.00 3.25 3.46 0.00 5.56 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 M 8.27 5.21 0.00 2.02 1.99 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 2.57 2.50 0.00 440 C 9.28 4.43 0.00 3.07 2.86 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 0.00 441 L 8.95 4.18 0.00 1.71 1.68 0.90 1.02 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 0.00 442 V 7.84 3.93 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 0.81 0.00 0.00 0.92 0.00 0.00 443 C 7.58 4.99 0.00 3.05 3.05 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 0.00 444 S 8.28 3.89 0.00 4.07 4.06 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 0.00 445 D 7.55 4.61 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.26 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 447 A 8.65 4.49 1.23 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 0.00 448 S 9.60 4.52 0.00 4.02 4.02 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 0.00 449 G 7.00 3.62 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 0.00 0.00 0.00 450 C 8.01 4.78 0.00 2.86 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 0.00 451 H 8.72 4.66 0.00 3.09 2.70 0.00 5.82 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 Y 9.22 4.06 0.00 3.10 3.15 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 0.00 0.00 0.00 0.00 453 G 9.12 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 0.00 0.00 0.00 454 V 7.62 4.45 2.02 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 0.98 0.00 0.00 0.88 0.00 0.00 455 L 8.47 4.61 0.00 1.78 1.53 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 456 T 8.82 5.12 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 1.25 0.00 0.00 457 C 8.70 4.83 0.00 3.15 3.23 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 0.00 458 G 8.07 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 459 S 8.02 4.26 0.00 4.10 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 4.35 0.00 3.06 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 0.00 461 K 8.19 4.12 0.00 1.74 2.04 0.00 1.36 0.00 0.00 1.27 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.38 7.81 462 V 7.90 3.90 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 0.89 0.00 0.00 1.00 0.00 0.00 463 F 8.56 4.11 0.00 3.34 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 4.23 0.00 3.45 3.38 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 0.00 465 K 8.23 3.49 0.00 2.03 2.00 0.00 1.40 0.00 0.00 1.52 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.51 7.81 466 R 8.11 3.83 0.00 1.96 1.84 0.00 3.30 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 467 A 7.38 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 468 V 7.35 3.45 1.54 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 0.65 0.00 0.00 0.07 0.00 0.00 469 E 8.34 4.09 0.00 1.98 1.89 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 2.27 2.22 0.00 470 G 7.86 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 471 Q 7.76 4.28 0.00 1.90 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 7.43 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 472 H 7.29 3.53 0.00 2.23 2.49 0.00 5.52 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 7.31 4.48 0.00 2.54 2.65 0.00 0.00 7.28 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 0.00 474 Y 7.06 4.74 0.00 3.08 2.82 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 0.00 475 L 8.25 4.77 0.00 1.59 1.55 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 476 C 8.76 4.34 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 477 A 8.60 4.58 1.29 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 0.00 0.00 0.00 478 G 7.42 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 479 R 8.28 4.59 0.00 1.84 1.89 0.00 3.29 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 480 N 8.63 4.54 0.00 2.87 2.93 0.00 0.00 6.89 8.06 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 0.00 481 D 7.49 4.89 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 C 8.19 4.25 0.00 2.98 2.90 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 0.00 483 I 8.20 3.80 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 1.40 0.46 0.90 0.00 0.00 484 I 8.29 4.24 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.86 0.00 0.00 485 D 7.88 5.85 0.00 2.82 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 0.00 486 K 8.80 3.83 0.00 1.72 1.88 0.00 2.13 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.46 7.81 487 I 7.82 4.00 1.85 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 1.40 0.69 0.90 0.00 0.00 488 R 9.02 4.30 0.00 1.93 1.93 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 489 R 7.89 4.06 0.00 1.80 2.14 0.00 2.99 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.57 0.00 490 K 7.39 4.05 0.00 1.85 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.44 7.81 491 N 8.20 4.71 0.00 2.72 2.85 0.00 0.00 6.67 7.60 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 0.00 492 C 7.53 4.62 0.00 2.87 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 0.00 493 P 0.00 4.03 0.00 0.72 1.62 0.00 3.55 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 494 A 7.94 4.33 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 495 C 8.07 4.24 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 496 R 8.24 3.84 0.00 1.68 1.67 0.00 2.59 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.34 0.00 497 Y 8.79 4.62 0.00 3.59 3.42 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 0.00 498 R 8.29 3.82 0.00 2.01 2.12 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 499 K 8.27 4.04 0.00 2.10 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.59 7.81 500 C 8.14 4.06 0.00 3.28 2.86 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 0.00 501 L 7.82 3.86 0.00 1.65 1.61 0.74 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 502 Q 8.20 3.93 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 503 A 7.81 4.18 1.28 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 0.00 0.00 0.00 504 G 7.73 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 0.00 0.00 0.00 505 M 7.24 4.21 0.00 0.75 0.97 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.25 0.00 506 N 8.82 5.24 0.00 2.99 2.93 0.00 0.00 6.80 6.28 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 0.00 507 L 8.74 4.17 0.00 1.67 1.78 0.78 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 508 E 7.98 4.57 0.00 1.94 1.97 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 2.27 2.39 0.00 509 A 7.73 4.30 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 R 7.59 3.86 0.00 1.87 1.95 0.00 3.39 0.00 0.00 3.23 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 511 K 7.80 4.19 0.00 1.77 1.74 0.00 1.81 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.53 7.81