NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9223 8.1400 114.6849 59.7649 62.6625 176.5431 2 W 3.6350 7.2246 135.0000 53.3136 33.6580 172.9389 3 P 4.0632 0.0000 0.0000 62.4768 33.1459 173.8003 4 V 4.5807 8.0648 120.4853 61.5020 36.1417 173.1258 5 C 5.0841 8.5589 121.9179 55.9739 40.5644 173.2870 6 T 4.9792 8.8804 114.4459 59.8797 72.3314 173.2944 7 R 4.3891 8.5540 121.4389 54.3637 30.6248 174.6676 8 N 4.2360 9.5554 126.1998 54.0110 36.1870 175.1741 9 G 3.9521 8.4734 105.3968 45.0017 0.0000 173.3815 10 L 4.3958 7.4856 120.4692 51.8617 42.1277 173.0471 11 P 4.9345 0.0000 0.0000 62.4731 30.3310 175.9182 12 V 4.3935 8.0018 120.0846 62.5012 33.2825 176.7595 13 C 4.3765 8.2245 116.1375 60.4355 40.5652 174.6632 14 G 3.7233 8.2630 105.1779 45.2238 0.0000 173.0869 15 E 4.4252 7.9504 120.3445 54.9218 31.2754 174.0835 16 T 5.0287 8.0004 111.0971 59.9512 71.8974 172.1843 17 C 5.2203 8.1529 114.0420 53.1963 42.0326 176.4823 18 V 3.4721 8.3493 121.6614 67.3282 31.2557 176.8160 19 G 3.8460 8.2761 106.8178 48.8407 0.0000 173.2977 20 G 4.0773 7.7934 107.3832 45.1424 0.0000 173.4924 21 T 4.6814 7.8230 109.1275 59.8566 71.8136 173.2408 22 C 5.0609 8.5699 122.0066 55.1353 46.3177 172.8344 23 N 5.0630 8.8927 119.3885 53.5076 39.0346 176.0359 24 T 4.4208 7.4641 115.2011 59.7557 69.2382 168.9833 25 P 4.2565 0.0000 0.0000 64.9628 31.0993 175.2474 26 G 3.4813 8.4045 116.3207 45.1503 0.0000 173.5818 27 C 5.0465 8.0064 117.2477 55.5473 41.5957 173.2362 28 T 4.5665 8.7339 115.9774 60.4917 70.9832 173.3170 29 C 5.1846 8.3623 121.7258 55.8291 45.1489 173.3909 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 S 8.14 4.92 0.00 3.86 3.78 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 0.00 0.00 0.00 2 W 7.22 3.63 0.00 3.40 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 3 P 0.00 4.06 0.00 1.14 0.49 0.00 3.42 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 4 V 8.06 4.58 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 0.83 0.00 0.00 0.71 0.00 0.00 5 C 8.56 5.08 0.00 2.90 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 6 T 8.88 4.98 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 1.19 0.00 0.00 7 R 8.55 4.39 0.00 1.85 1.80 0.00 3.23 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 8 N 9.56 4.24 0.00 2.88 2.84 0.00 0.00 7.47 7.65 0.00 0.00 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 G 8.47 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 10 L 7.49 4.40 0.00 1.75 1.60 0.92 0.93 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 11 P 0.00 4.93 0.00 2.13 2.10 0.00 3.37 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 1.97 1.91 0.00 12 V 8.00 4.39 2.07 0.00 0.00 0.00 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 0.93 0.00 0.00 13 C 8.22 4.38 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 14 G 8.26 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 0.00 0.00 0.00 15 E 7.95 4.43 0.00 1.98 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 0.00 2.28 2.25 0.00 16 T 8.00 5.03 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 1.13 0.00 0.00 17 C 8.15 5.22 0.00 3.18 3.26 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 18 V 8.35 3.47 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 1.07 0.00 0.00 0.80 0.00 0.00 19 G 8.28 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.79 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.82 4.68 4.25 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 1.23 0.00 0.00 22 C 8.57 5.06 0.00 2.90 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 23 N 8.89 5.06 0.00 2.81 2.76 0.00 0.00 6.73 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 24 T 7.46 4.42 4.23 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 1.20 0.00 0.00 25 P 0.00 4.26 0.00 2.17 2.14 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 26 G 8.40 3.48 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 0.00 0.00 0.00 0.00 27 C 8.01 5.05 0.00 2.93 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 28 T 8.73 4.57 4.24 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 1.25 0.00 0.00 29 C 8.36 5.18 0.00 3.00 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