NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2949 8.1127 119.7056 56.0232 31.5918 173.6483 5 E 4.8476 8.2395 119.7697 53.2034 32.2600 173.7578 6 C 4.3693 9.6841 128.1060 59.4054 32.8053 173.5592 7 D 4.4662 8.5595 126.9920 56.0970 39.8472 175.8631 8 Y 4.3371 6.8755 119.2855 58.8090 40.7425 176.1846 9 C 3.9051 8.0406 114.3938 59.1153 30.7210 175.5600 10 G 3.9368 8.3418 107.1720 44.7146 0.0000 173.2262 11 T 4.3010 7.6096 109.9410 61.1260 70.6869 173.4634 12 D 4.8737 8.5015 122.5284 54.4129 41.6345 176.1659 13 I 4.1163 8.3345 125.0480 60.1614 38.2819 175.5195 14 E 3.9200 8.9744 128.7925 55.3846 29.7489 174.0658 15 P 4.1860 0.0000 0.0000 64.7909 31.3385 176.0699 16 G 3.9142 9.6599 108.5533 46.4176 0.0000 173.0430 17 T 4.5534 7.5540 112.6519 62.4768 72.6529 174.2976 18 G 4.1102 9.2420 108.9864 45.4798 0.0000 172.5988 19 T 4.7918 8.4465 113.5756 61.7266 72.8046 173.2558 20 M 4.9963 8.7314 124.1426 53.9082 34.2195 174.4963 21 F 4.7977 9.4814 130.2869 57.2894 41.2524 174.3614 22 V 4.4566 7.6214 126.1691 61.3975 32.6615 175.3291 23 H 4.1169 8.7660 125.8256 54.7324 29.6168 176.4741 24 K 3.8313 8.7888 122.2453 59.7935 31.8614 177.8968 25 D 4.3950 7.9864 116.2355 55.0428 39.4992 176.1625 26 G 3.6835 7.7618 106.2062 45.0208 0.0000 174.0117 27 A 4.2464 8.8033 123.2376 52.7809 19.7539 176.5508 28 T 5.0249 8.3726 114.8597 62.0790 72.0900 173.8646 29 T 4.6687 9.2556 122.4299 62.0879 72.1215 172.7382 30 H 5.0146 10.5030 126.2570 55.1461 30.3877 174.6251 31 F 5.2848 9.4508 122.9960 55.9580 41.1537 176.4810 32 C 4.5326 9.0560 116.5548 59.2726 30.7310 173.6084 33 S 4.6343 7.5666 114.6331 56.4304 66.3521 175.5454 34 S 4.7216 8.3977 118.7812 60.8971 62.8436 176.0682 35 K 3.7503 8.0772 122.7887 59.7433 31.6982 178.2422 36 C 4.2525 7.8439 115.1857 62.4966 28.2450 175.5391 37 E 2.6693 7.7546 120.0419 59.4433 28.7297 179.3371 38 N 4.1959 8.3756 116.2891 56.4425 38.4208 177.3155 39 N 4.4240 8.1032 117.4002 55.8833 38.5970 177.4608 40 A 4.0712 7.7465 122.6219 55.1976 18.3732 179.3718 41 D 4.5114 7.9617 115.9379 56.6428 40.9085 177.9978 42 L 4.3372 7.3055 117.6528 54.7185 41.9050 177.6681 43 G 3.9751 8.3116 107.9320 45.4706 0.0000 174.2175 44 R 4.3052 7.5668 118.1142 55.6406 31.0797 175.6309 45 E 4.6428 8.4828 119.2338 54.2565 31.1888 177.0625 46 A 3.3961 8.2160 126.6197 55.1827 18.4432 179.7969 47 R 3.8202 7.6566 113.7361 59.2781 30.2123 177.4795 48 N 4.4605 8.0813 112.9918 53.9815 38.9953 174.7486 49 L 4.4931 7.1387 119.2248 52.7606 42.4843 177.4570 50 E 3.9708 8.7450 124.3591 58.6810 29.6846 178.4489 51 W 4.4035 7.8123 114.7991 58.7201 28.9377 176.8622 52 T 3.7731 6.6286 117.5272 62.9309 68.3042 175.1294 53 D 4.2891 8.7407 126.1163 57.8470 40.9238 177.8317 54 T 3.7675 7.8729 115.0061 66.7350 68.6859 175.0843 55 A 3.9622 7.7280 123.4477 55.1516 18.6400 177.6052 56 R 4.1161 7.8491 118.5906 56.5443 30.1549 176.2936 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 4 R 8.11 4.29 0.00 1.88 1.89 0.00 3.01 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 5 E 8.24 4.85 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.39 0.00 6 C 9.68 4.37 0.00 3.07 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 7 D 8.56 4.47 0.00 2.63 2.63 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 8 Y 6.88 4.34 0.00 2.77 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 9 C 8.04 3.91 0.00 3.13 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.34 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 11 T 7.61 4.30 4.30 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 1.33 0.00 0.00 12 D 8.50 4.87 0.00 2.61 2.66 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 13 I 8.33 4.12 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.60 0.97 0.00 0.00 14 E 8.97 3.92 0.00 2.06 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 2.40 2.39 0.00 15 P 0.00 4.19 0.00 2.22 2.09 0.00 3.89 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 2.01 2.01 0.00 16 G 9.66 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 17 T 7.55 4.55 4.56 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 0.00 0.00 0.00 1.25 0.00 0.00 18 G 9.24 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 0.00 0.00 0.00 19 T 8.45 4.79 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 1.29 0.00 0.00 20 M 8.73 5.00 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.42 0.00 21 F 9.48 4.80 0.00 3.27 3.21 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 22 V 7.62 4.46 1.85 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 0.74 0.00 0.00 0.85 0.00 0.00 23 H 8.77 4.12 0.00 3.34 3.22 0.00 5.69 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 24 K 8.79 3.83 0.00 1.73 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 7.99 4.40 0.00 2.82 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 26 G 7.76 3.68 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 0.00 0.00 0.00 27 A 8.80 4.25 1.22 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 28 T 8.37 5.02 4.27 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 0.00 0.00 0.00 1.22 0.00 0.00 29 T 9.26 4.67 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 30 H 10.50 5.01 0.00 3.07 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.45 5.28 0.00 3.02 3.10 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 32 C 9.06 4.53 0.00 3.16 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 33 S 7.57 4.63 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.40 4.72 0.00 3.98 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 35 K 8.08 3.75 0.00 1.75 1.84 0.00 1.37 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.44 1.33 7.81 36 C 7.84 4.25 0.00 3.34 3.28 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 37 E 7.75 2.67 0.00 1.78 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 1.47 2.30 0.00 38 N 8.38 4.20 0.00 2.63 2.78 0.00 0.00 7.15 6.87 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 39 N 8.10 4.42 0.00 3.14 3.13 0.00 0.00 6.87 6.85 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 40 A 7.75 4.07 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 41 D 7.96 4.51 0.00 2.66 2.64 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 42 L 7.31 4.34 0.00 1.84 1.73 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.31 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 44 R 7.57 4.31 0.00 2.16 2.00 0.00 3.26 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 45 E 8.48 4.64 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 46 A 8.22 3.40 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.66 3.82 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 48 N 8.08 4.46 0.00 2.78 2.84 0.00 0.00 6.98 7.43 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 49 L 7.14 4.49 0.00 1.04 0.83 1.24 0.98 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 50 E 8.74 3.97 0.00 2.02 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 0.00 2.30 2.29 0.00 51 W 7.81 4.40 0.00 3.54 3.21 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 52 T 6.63 3.77 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 0.95 0.00 0.00 53 D 8.74 4.29 0.00 2.78 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 54 T 7.87 3.77 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 1.05 0.00 0.00 55 A 7.73 3.96 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 56 R 7.85 4.12 0.00 1.92 1.83 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00