NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3958 8.3001 120.3276 54.9970 33.6303 174.2437 2 A 4.2650 8.5997 121.3862 51.4672 20.1294 175.2038 3 K 5.1943 9.2362 118.9205 54.4816 36.4623 173.8343 4 W 5.4380 9.4888 122.9022 54.9225 33.3690 174.5703 5 V 4.8181 8.7423 123.3823 60.1739 33.7828 174.7138 6 C 3.3876 9.0502 124.8501 58.6462 31.4506 174.2643 7 K 3.9853 8.6964 127.5940 59.3461 31.7081 179.3115 8 I 3.8960 7.8666 120.5768 63.8147 37.2339 176.4729 9 C 4.6455 8.0900 110.4766 57.2546 30.8879 174.7485 10 G 3.9496 8.3657 108.9644 45.0125 0.0000 173.1438 11 Y 4.2775 7.8844 121.4307 58.1449 40.0752 174.6974 12 I 4.7178 7.5469 126.5961 59.9311 38.8444 174.7243 13 Y 4.3751 9.3713 130.2130 56.9050 39.6470 173.7265 14 D 4.6920 7.9015 128.0638 52.6024 42.1006 176.3903 15 E 3.7841 8.9693 127.4655 59.7186 30.0141 179.7919 16 D 4.2297 8.3566 118.3729 56.7142 41.0716 177.3391 17 A 4.1935 7.8966 121.2508 51.9462 19.8928 179.3211 18 G 3.9378 7.7627 104.2590 46.3285 0.0000 174.7197 19 D 4.9853 8.6394 111.4289 52.9834 42.9286 174.8890 20 P 4.4574 0.0000 0.0000 65.7751 32.0800 179.2631 21 D 4.5106 8.2351 117.5088 56.3829 40.8401 176.4866 22 N 4.9109 8.4093 115.8320 52.9355 39.1169 175.0462 23 G 3.8960 8.4698 104.8998 45.6816 0.0000 173.8828 24 I 4.4618 7.5882 120.2733 58.7289 39.4329 175.4534 25 S 4.5447 8.4671 120.3967 57.0316 63.7799 171.9525 26 P 4.2815 0.0000 0.0000 64.8081 31.4288 176.7247 27 G 3.9340 9.0844 110.8697 45.5225 0.0000 173.1586 28 T 4.2602 7.2476 115.5806 62.0301 69.2641 175.2192 29 K 4.3842 8.4686 126.0895 56.1363 33.1471 177.6507 30 F 3.2230 9.4392 124.9617 61.1664 39.2676 177.2509 31 E 3.7971 8.2482 118.4218 59.4472 29.2291 177.8444 32 E 4.1036 7.7084 115.4756 56.8466 29.9921 177.0522 33 L 3.6251 6.6572 119.6810 53.5920 42.1345 175.3941 34 P 4.2731 0.0000 0.0000 62.7501 31.9344 177.0505 35 D 4.2454 8.7190 121.0913 57.3606 40.7878 177.3952 36 D 4.7050 7.8614 115.2845 52.5872 39.8852 176.2354 37 W 4.1281 8.0490 130.6640 57.7825 31.1487 175.4169 38 V 4.3145 6.6642 116.5477 58.6601 35.0506 174.9927 39 C 3.6885 8.5738 122.2294 59.3514 31.5445 173.0931 40 P 4.1329 0.0000 0.0000 64.5569 31.5196 177.3618 41 I 4.0028 7.3914 119.5793 63.2773 37.6506 176.2994 42 C 4.4605 7.9368 111.0106 57.3328 30.7690 174.6701 43 G 3.7412 8.1435 108.3123 45.3309 0.0000 173.6779 44 A 4.1084 7.5963 122.9438 51.0708 19.1767 176.1463 45 P 4.8562 0.0000 0.0000 61.9746 32.6299 177.4663 46 K 4.3065 8.8775 117.9381 59.6901 32.0497 179.5773 47 S 4.3185 8.3937 112.3435 61.3148 62.8195 174.7937 48 E 4.4610 8.8144 118.8950 56.4368 29.4192 175.2795 49 F 5.2041 8.3310 118.2778 56.0140 40.9621 174.9136 50 E 4.7832 9.0378 122.8748 53.9787 32.5958 174.8495 51 K 2.8391 8.1213 128.2616 56.0391 32.6992 177.3891 52 L 4.4497 8.2152 129.7518 52.6558 39.7511 175.6266 53 E 4.5606 7.4977 117.8167 54.6700 32.5124 175.7759 54 D 4.4003 8.4813 118.4075 54.6658 41.2924 175.9677 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 1 M 8.30 4.40 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 2 A 8.60 4.27 1.33 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 0.00 0.00 3 K 9.24 5.19 0.00 1.69 1.68 0.00 1.57 0.00 0.00 1.79 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.57 7.81 4 W 9.49 5.44 0.00 3.39 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 5 V 8.74 4.82 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 0.74 0.00 0.00 0.93 0.00 0.00 6 C 9.05 3.39 0.00 2.58 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 7 K 8.70 3.99 0.00 1.69 1.84 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.52 7.81 8 I 7.87 3.90 1.83 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 1.42 0.72 0.90 0.00 0.00 9 C 8.09 4.65 0.00 3.06 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 10 G 8.37 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 0.00 0.00 0.00 11 Y 7.88 4.28 0.00 3.21 3.02 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 12 I 7.55 4.72 1.69 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 1.16 0.94 0.86 0.00 0.00 13 Y 9.37 4.38 0.00 3.50 3.16 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 14 D 7.90 4.69 0.00 2.62 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.97 3.78 0.00 2.08 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 0.00 2.79 2.69 0.00 16 D 8.36 4.23 0.00 2.79 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 17 A 7.90 4.19 1.26 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 0.00 0.00 0.00 18 G 7.76 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 19 D 8.64 4.99 0.00 3.24 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 20 P 0.00 4.46 0.00 2.30 2.34 0.00 3.86 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.24 4.51 0.00 2.73 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 22 N 8.41 4.91 0.00 3.02 2.77 0.00 0.00 7.13 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 23 G 8.47 3.90 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 0.00 0.00 0.00 24 I 7.59 4.46 2.18 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.93 0.89 0.00 0.00 25 S 8.47 4.54 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.06 2.21 0.00 3.67 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 2.25 0.00 27 G 9.08 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.25 4.26 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 1.08 0.00 0.00 29 K 8.47 4.38 0.00 1.82 1.96 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.47 7.81 30 F 9.44 3.22 0.00 1.91 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 0.00 0.00 0.00 0.00 31 E 8.25 3.80 0.00 1.95 1.98 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 2.39 2.48 0.00 32 E 7.71 4.10 0.00 1.94 1.87 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 2.26 2.36 0.00 33 L 6.66 3.63 0.00 0.65 0.58 -2.02 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.27 0.00 2.18 1.95 0.00 3.47 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 35 D 8.72 4.25 0.00 2.63 2.72 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 36 D 7.86 4.70 0.00 2.76 2.75 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 0.00 0.00 0.00 37 W 8.05 4.13 0.00 3.04 2.93 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 0.00 0.00 0.00 38 V 6.66 4.31 1.98 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 0.72 0.00 0.00 0.61 0.00 0.00 39 C 8.57 3.69 0.00 3.23 2.96 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 40 P 0.00 4.13 0.00 1.99 1.94 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.67 0.00 41 I 7.39 4.00 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.97 0.93 0.00 0.00 42 C 7.94 4.46 0.00 3.03 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 43 G 8.14 3.74 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 0.00 0.00 0.00 44 A 7.60 4.11 1.31 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 0.00 0.00 0.00 45 P 0.00 4.86 0.00 2.32 2.25 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 46 K 8.88 4.31 0.00 1.90 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.21 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.68 7.81 47 S 8.39 4.32 0.00 4.07 4.12 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 48 E 8.81 4.46 0.00 2.09 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 0.00 2.40 2.46 0.00 49 F 8.33 5.20 0.00 3.18 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 50 E 9.04 4.78 0.00 2.04 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 2.10 2.16 0.00 51 K 8.12 2.84 0.00 0.79 0.95 0.00 1.22 0.00 0.00 1.50 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.72 0.21 7.81 52 L 8.22 4.45 0.00 1.50 1.52 0.90 0.76 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 53 E 7.50 4.56 0.00 1.93 1.71 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 1.95 2.15 0.00 54 D 8.48 4.40 0.00 2.60 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