NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 3.9793 8.0544 120.4014 62.7288 32.6346 174.5219 7 D 4.5332 8.6992 126.5763 53.2175 41.3914 174.8199 8 C 5.1079 9.3555 124.7538 56.9083 41.8533 175.9606 9 S 4.0580 8.6133 119.1396 61.6197 62.3843 175.4865 10 E 4.0626 8.2938 117.3797 57.6424 29.4548 176.0327 11 Y 4.4460 7.5461 116.3310 55.3192 39.8247 173.4409 12 P 4.8165 0.0000 0.0000 62.9252 31.6628 176.5667 13 K 4.5354 9.5700 119.4544 54.3133 35.4723 176.1851 14 P 4.3704 0.0000 0.0000 64.4715 31.6841 176.2616 15 A 4.8090 7.3778 121.5819 50.4216 21.8140 174.4454 16 C 5.1412 8.4807 117.7674 55.0825 44.2140 174.2454 17 T 4.3972 8.3697 112.1670 61.5769 69.4933 174.2918 18 K 4.6741 8.2491 119.6356 55.9019 32.7638 176.6769 19 E 4.3301 8.1923 115.6629 55.8120 30.9610 175.5676 20 Y 4.9099 8.3800 121.2449 56.3382 39.3016 175.1331 21 R 4.6259 8.4226 127.2592 52.6477 30.6841 172.6748 22 P 4.7330 0.0000 0.0000 63.2972 32.9653 176.3286 23 L 4.8636 8.8522 121.1324 53.1021 45.9728 174.4539 24 C 5.0153 8.8558 124.2762 55.3451 45.5936 173.4040 25 G 4.7022 9.2551 114.4734 45.3984 0.0000 174.1893 26 S 4.6506 9.2686 114.4717 59.2106 63.0095 174.5024 27 D 4.6463 8.1901 118.9430 52.8807 39.7361 175.6037 28 N 4.2623 8.2677 117.0785 54.8572 37.8175 173.1395 29 K 4.5348 8.0380 116.3171 54.2820 35.3925 174.6882 30 T 4.7339 8.3009 123.6357 62.8498 69.5351 173.6082 31 Y 4.3979 9.1789 125.8767 56.3393 39.2978 177.2037 32 G 3.9609 9.1655 113.8188 49.0674 0.0000 172.1666 33 N 5.3026 7.8026 116.5864 51.7814 40.8007 174.9902 34 K 4.0018 8.4596 120.3841 59.6237 32.0567 178.9930 35 C 4.4403 8.3586 118.6744 59.7223 40.6710 174.9262 36 N 4.3472 8.5026 117.5057 54.7564 37.2292 176.9186 37 F 3.3812 7.8913 123.5495 61.2511 39.1423 176.5783 38 C 3.7666 7.9577 116.2167 59.7268 37.9784 175.7718 39 N 4.2230 7.8201 117.9213 56.2955 38.1348 177.1944 40 A 4.2815 7.3406 122.9236 53.9061 18.5825 179.7358 41 V 3.2861 6.9310 116.4985 65.5452 31.2361 178.2536 42 V 3.8023 7.0716 110.6669 63.2902 31.9521 178.1376 43 E 4.0803 7.5504 118.1668 59.3462 29.3719 179.1991 44 S 4.2236 7.9160 113.3100 58.7079 63.7780 173.1242 45 N 4.1160 8.6561 119.7778 53.8609 35.9444 173.3791 46 G 4.1127 8.2115 107.0077 46.5660 0.0000 174.9187 47 T 3.7395 7.2489 108.7045 63.3910 68.9015 173.9604 48 L 4.4175 7.0771 124.9863 53.8566 43.1565 175.2157 49 T 4.8271 8.1623 114.7159 59.5501 72.8590 172.2593 50 L 4.6335 8.5625 124.2549 54.6838 42.1785 176.2478 51 S 4.6781 8.7016 121.1066 58.8955 64.5686 173.9841 52 H 4.3182 7.1729 115.7183 55.0839 29.7391 173.5938 53 F 4.3256 8.5220 119.2908 58.1945 39.5091 176.3257 54 G 3.9073 8.6829 110.6814 44.3053 0.0000 173.3415 55 K 4.0831 8.1183 117.3417 56.4385 32.5698 178.1883 56 C 4.5161 9.0702 118.7182 57.4575 41.0299 173.7710 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 6 V 8.05 3.98 2.21 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 1.04 0.00 0.00 0.88 0.00 0.00 7 D 8.70 4.53 0.00 2.81 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 8 C 9.36 5.11 0.00 2.94 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 9 S 8.61 4.06 0.00 4.07 3.96 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 0.00 0.00 0.00 10 E 8.29 4.06 0.00 1.59 1.73 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 2.26 2.35 0.00 11 Y 7.55 4.45 0.00 3.06 2.91 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 12 P 0.00 4.82 0.00 2.06 2.03 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 13 K 9.57 4.54 0.00 1.78 1.81 0.00 0.82 0.00 0.00 1.47 0.00 0.00 2.65 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.18 1.03 7.81 14 P 0.00 4.37 0.00 2.18 2.19 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 15 A 7.38 4.81 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 16 C 8.48 5.14 0.00 2.98 3.03 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 17 T 8.37 4.40 4.28 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 1.24 0.00 0.00 18 K 8.25 4.67 0.00 1.77 1.87 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 E 8.19 4.33 0.00 2.13 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 0.00 2.31 2.27 0.00 20 Y 8.38 4.91 0.00 2.83 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 21 R 8.42 4.63 0.00 1.71 1.74 0.00 3.32 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 22 P 0.00 4.73 0.00 1.92 1.60 0.00 3.25 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.51 0.00 23 L 8.85 4.86 0.00 1.39 0.94 0.94 -0.02 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 24 C 8.86 5.02 0.00 2.89 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 25 G 9.26 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.27 4.65 0.00 3.86 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 27 D 8.19 4.65 0.00 2.85 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 28 N 8.27 4.26 0.00 2.91 2.97 0.00 0.00 6.81 5.96 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 29 K 8.04 4.53 0.00 1.76 1.77 0.00 1.48 0.00 0.00 1.31 0.00 0.00 2.70 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.43 1.06 7.81 30 T 8.30 4.73 4.21 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 1.24 0.00 0.00 31 Y 9.18 4.40 0.00 3.10 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 32 G 9.17 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.80 5.30 0.00 3.00 3.11 0.00 0.00 6.37 6.42 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 34 K 8.46 4.00 0.00 1.90 1.93 0.00 1.80 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.56 7.81 35 C 8.36 4.44 0.00 3.20 3.37 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 36 N 8.50 4.35 0.00 3.21 3.16 0.00 0.00 6.73 8.14 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 37 F 7.89 3.38 0.00 3.04 3.06 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 38 C 7.96 3.77 0.00 1.70 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 39 N 7.82 4.22 0.00 2.95 2.87 0.00 0.00 6.90 7.68 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 40 A 7.34 4.28 1.06 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 41 V 6.93 3.29 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 0.81 0.00 0.00 -0.03 0.00 0.00 42 V 7.07 3.80 2.06 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 0.87 0.00 0.00 0.93 0.00 0.00 43 E 7.55 4.08 0.00 2.28 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 2.32 2.34 0.00 44 S 7.92 4.22 0.00 3.99 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 45 N 8.66 4.12 0.00 2.88 2.93 0.00 0.00 7.14 7.06 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 46 G 8.21 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 47 T 7.25 3.74 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 1.22 0.00 0.00 48 L 7.08 4.42 0.00 1.43 1.39 0.99 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.16 4.83 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 1.21 0.00 0.00 50 L 8.56 4.63 0.00 1.43 1.47 0.05 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.70 4.68 0.00 3.92 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 52 H 7.17 4.32 0.00 3.37 3.39 0.00 5.64 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.52 4.33 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 54 G 8.68 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 55 K 8.12 4.08 0.00 1.77 1.79 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.61 7.81 56 C 9.07 4.52 0.00 2.90 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