NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1951 8.2544 120.8605 55.7796 31.8582 175.0551 2 I 4.1744 7.3146 117.5407 57.8327 38.8928 173.2413 3 C 4.4751 9.5388 120.8351 58.1815 33.5721 169.3052 4 T 3.2256 8.0551 126.1648 64.4272 67.5791 170.2228 5 N 5.0804 8.7424 123.4420 53.1683 39.6454 175.7915 6 C 4.0027 8.7345 119.2755 58.2537 40.1566 175.1100 7 C 4.0169 8.2565 122.2253 61.8795 31.2640 174.8986 8 A 4.7526 6.7367 120.5315 51.9528 18.3470 175.9927 9 G 3.0947 6.4710 114.7225 46.1747 0.0000 174.0040 10 K 4.0544 6.7083 120.5541 55.1514 35.1916 175.6648 11 K 4.0341 8.8326 126.2980 54.8512 27.8615 176.3194 12 G 4.8714 7.0074 121.0623 46.4054 0.0000 170.4721 13 C 5.0990 7.5147 116.4609 57.0584 32.5078 174.1985 14 K 4.8539 8.3819 119.5680 57.2900 32.8387 176.2772 15 Y 4.6380 7.8994 117.9982 56.8983 42.5519 174.2452 16 F 4.9081 9.0491 121.5706 55.7600 42.6466 174.7312 17 S 4.4152 8.7060 116.2590 58.1785 66.1051 175.1044 18 D 4.1735 9.1686 119.7120 55.0925 42.3420 174.0135 19 D 4.6391 7.9923 117.4770 53.5448 40.7020 177.8686 20 G 5.0141 7.6715 116.8715 45.1638 0.0000 172.4211 21 T 3.9542 7.1800 111.0024 61.2513 68.2269 173.7301 22 F 4.1928 8.7372 128.8318 58.8043 40.0159 174.3536 23 I 4.4515 6.7263 123.8259 62.4338 42.2733 175.3444 24 C 4.8914 6.5261 119.6312 55.0461 46.3716 173.4619 25 E 4.7630 9.2320 127.3046 57.7317 30.1841 176.9387 26 G 4.4553 8.7806 103.4761 44.0835 0.0000 173.4951 27 E 5.8533 7.3348 125.2959 57.1342 29.2149 178.2179 28 S 4.4047 7.6612 121.8439 58.8721 63.1968 173.7637 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 R 8.25 4.20 0.00 1.79 2.02 0.00 3.18 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 2 I 7.31 4.17 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.64 0.90 0.00 0.00 3 C 9.54 4.48 0.00 3.05 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 4 T 8.06 3.23 4.20 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 N 8.74 5.08 0.00 2.82 2.97 0.00 0.00 7.74 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 6 C 8.73 4.00 0.00 3.15 3.33 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 7 C 8.26 4.02 0.00 2.94 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 8 A 6.74 4.75 1.27 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 0.00 0.00 0.00 9 G 6.47 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 0.00 0.00 0.00 10 K 6.71 4.05 0.00 1.50 1.48 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.27 7.81 11 K 8.83 4.03 0.00 1.91 2.04 0.00 1.94 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.33 7.81 12 G 7.01 4.87 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 0.00 0.00 0.00 13 C 7.51 5.10 0.00 3.19 2.54 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 14 K 8.38 4.85 0.00 1.74 2.02 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.61 1.76 7.81 15 Y 7.90 4.64 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.05 4.91 0.00 2.86 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 17 S 8.71 4.42 0.00 3.95 3.71 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 18 D 9.17 4.17 0.00 2.72 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 19 D 7.99 4.64 0.00 2.85 2.79 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 0.00 0.00 0.00 20 G 7.67 5.01 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 21 T 7.18 3.95 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 1.32 0.00 0.00 22 F 8.74 4.19 0.00 2.94 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 23 I 6.73 4.45 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.55 0.81 0.00 0.00 24 C 6.53 4.89 0.00 2.84 2.74 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 25 E 9.23 4.76 0.00 2.20 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 0.00 2.39 2.45 0.00 26 G 8.78 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.33 5.85 0.00 2.20 2.22 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 2.09 2.24 0.00 28 S 7.66 4.40 0.00 4.06 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