NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7253 8.4249 118.2188 52.5379 39.2986 174.1167 3 Q 4.3526 7.6875 117.5632 55.6307 29.0249 175.8081 4 G 3.8081 8.9047 108.8310 47.3702 0.0000 174.7832 5 K 4.3918 7.8086 118.8647 56.1735 32.6215 178.0492 6 I 3.3481 7.5765 121.9484 63.6610 37.7593 177.1211 7 W 5.2384 7.7720 116.6020 56.5137 29.1087 176.9809 8 T 4.2306 7.9698 110.0143 63.2880 68.8664 175.9177 9 V 4.1381 7.7708 113.8662 62.0908 33.7459 176.0748 10 V 4.0589 7.9276 120.2029 61.1447 32.5743 174.3319 11 N 4.8391 8.7490 126.0034 52.4602 38.8405 173.6373 12 P 4.5668 0.0000 0.0000 65.6371 30.9999 178.0559 13 A 3.9899 8.2426 119.9950 54.4287 18.4604 178.7034 14 I 4.2698 8.2410 118.3453 63.3449 38.0737 178.4773 15 G 3.8886 8.0657 106.0892 47.8912 0.0000 175.7845 16 I 3.7490 7.8907 122.3109 63.7353 37.0548 176.8468 17 P 4.2428 0.0000 0.0000 65.4069 31.1505 178.5263 18 A 4.0091 8.2395 119.8084 54.8564 18.2095 179.5004 19 L 3.9363 8.3288 119.1317 58.4783 42.2888 179.2713 20 L 4.1233 8.2157 119.1891 57.6541 41.4227 179.8664 21 G 3.5863 8.4544 106.0630 47.8859 0.0000 176.0309 22 S 4.1426 8.2664 117.9050 61.1853 62.8265 176.9201 23 V 3.5966 7.9959 120.9654 66.4288 31.2992 178.1560 24 T 3.8898 7.8884 115.4092 66.6568 68.1858 176.7393 25 V 3.6233 8.1169 120.3355 65.9886 31.4583 178.1537 26 I 3.6830 8.0607 119.4231 64.3237 36.9831 178.0096 27 A 4.0743 8.1391 121.6038 55.5010 18.0996 179.6994 28 I 3.7378 7.9598 118.0303 64.6275 37.1101 178.7377 29 L 4.0124 8.2727 120.0324 57.6604 41.3730 179.7480 30 V 3.5821 8.1987 118.5476 66.2885 31.4276 177.5861 31 H 4.2445 8.4250 115.9433 59.1877 28.6376 177.7602 32 L 3.9653 8.3402 120.4970 57.6143 41.2022 179.4583 33 A 3.9982 8.0561 119.9104 55.3721 18.5509 179.4389 34 I 3.6971 7.9937 118.4750 64.2752 36.8761 178.3358 35 L 3.5286 8.0065 120.9084 57.6688 41.9655 178.4242 36 S 4.4284 7.5500 110.6698 58.8271 63.4982 174.0414 37 H 4.8024 7.4387 118.4461 55.4406 29.7253 172.9984 38 T 4.5829 7.3197 108.7368 59.8185 71.7266 173.7716 39 T 4.1959 8.1935 111.7853 63.3133 69.9618 177.0276 40 W 4.4368 7.8916 119.8780 58.9479 28.2187 178.2017 41 F 4.3664 7.4107 121.3173 60.9380 38.8143 175.3121 42 P 3.9327 0.0000 0.0000 65.4545 31.1561 178.4480 43 A 4.2194 8.1493 119.6041 55.1278 18.0251 179.0264 44 Y 4.3995 8.1090 117.4317 61.0467 39.0739 178.2301 45 W 4.3148 7.8305 118.5233 59.6338 29.2072 177.9814 46 Q 4.1470 8.7447 119.5350 59.1701 28.6863 177.7561 47 G 3.7314 9.3405 109.0051 47.3357 0.0000 174.2974 48 G 4.0145 8.9762 106.8353 45.8177 0.0000 174.2898 49 V 4.0123 7.0083 119.1001 61.4229 29.9581 175.7654 50 K 4.1355 8.2793 123.3705 58.5699 33.1183 177.9836 51 K 4.4342 7.5750 116.0727 54.7287 36.0040 174.4172 52 A 4.6762 8.1891 122.6586 50.0281 21.5598 176.7563 53 A 4.1034 8.2367 120.8866 53.3787 19.1773 176.6308 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 2 N 8.42 4.73 0.00 2.84 3.00 0.00 0.00 5.99 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 7.69 4.35 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 4 G 8.90 3.81 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 0.00 0.00 0.00 5 K 7.81 4.39 0.00 1.80 1.81 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.43 7.81 6 I 7.58 3.35 1.56 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.60 -0.63 0.00 0.00 7 W 7.77 5.24 0.00 3.38 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 8 T 7.97 4.23 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 1.28 0.00 0.00 9 V 7.77 4.14 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 0.70 0.00 0.00 0.94 0.00 0.00 10 V 7.93 4.06 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 1.06 0.00 0.00 0.82 0.00 0.00 11 N 8.75 4.84 0.00 2.82 2.77 0.00 0.00 6.96 7.71 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 12 P 0.00 4.57 0.00 1.92 1.59 0.00 3.84 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 13 A 8.24 3.99 1.40 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 0.00 0.00 14 I 8.24 4.27 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.21 0.95 0.00 0.00 15 G 8.07 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 0.00 0.00 0.00 16 I 7.89 3.75 1.84 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.05 0.81 0.00 0.00 17 P 0.00 4.24 0.00 2.17 2.10 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 18 A 8.24 4.01 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 19 L 8.33 3.94 0.00 1.99 1.96 0.99 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.22 4.12 0.00 1.74 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.45 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.14 0.00 4.08 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 23 V 8.00 3.60 2.26 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 1.06 0.00 0.00 1.05 0.00 0.00 24 T 7.89 3.89 4.43 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 1.23 0.00 0.00 25 V 8.12 3.62 2.23 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 1.14 0.00 0.00 1.01 0.00 0.00 26 I 8.06 3.68 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 0.94 0.00 0.00 27 A 8.14 4.07 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 28 I 7.96 3.74 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.79 0.95 0.00 0.00 29 L 8.27 4.01 0.00 1.89 1.74 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.20 3.58 2.24 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 1.09 0.00 0.00 0.99 0.00 0.00 31 H 8.43 4.24 0.00 3.56 3.59 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.34 3.97 0.00 1.84 1.72 0.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.06 4.00 1.39 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 34 I 7.99 3.70 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.04 0.50 0.00 0.00 35 L 8.01 3.53 0.00 1.30 1.68 -1.02 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.55 4.43 0.00 3.84 3.81 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 37 H 7.44 4.80 0.00 3.12 3.26 0.00 5.59 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.32 4.58 3.27 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 0.72 0.00 0.00 39 T 8.19 4.20 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 1.22 0.00 0.00 40 W 7.89 4.44 0.00 3.45 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.41 4.37 0.00 2.09 2.37 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 0.00 42 P 0.00 3.93 0.00 2.13 1.97 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 43 A 8.15 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.11 4.40 0.00 3.17 3.55 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 45 W 7.83 4.31 0.00 3.50 3.04 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 0.00 0.00 0.00 0.00 46 Q 8.74 4.15 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.01 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 47 G 9.34 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 48 G 8.98 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 49 V 7.01 4.01 2.14 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 0.85 0.00 0.00 0.98 0.00 0.00 50 K 8.28 4.14 0.00 1.90 1.95 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.55 7.81 51 K 7.57 4.43 0.00 1.73 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 52 A 8.19 4.68 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 53 A 8.24 4.10 1.24 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 0.00 0.00