NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.4039 8.2676 118.1847 53.8478 38.4142 176.3298 2 N 3.6660 7.7318 121.1768 54.3470 39.0198 174.8585 3 Y 4.4084 8.6636 119.2824 61.3929 38.8329 179.2107 4 T 3.9300 8.1223 116.1083 67.2833 68.6462 176.5948 5 S 4.2095 8.0270 115.1073 61.3836 63.1896 176.2525 6 L 4.0469 8.5306 123.1586 57.6002 41.3113 179.3443 7 I 3.7473 8.4341 120.2610 64.6862 37.0455 177.9750 8 H 4.1517 8.5074 119.1150 59.2915 29.7376 177.5542 9 S 4.2168 8.4392 117.0872 61.1468 62.5024 176.6505 10 L 4.0054 7.8846 122.1767 57.7116 41.3793 179.2420 11 I 3.6779 7.9160 119.9265 64.4320 36.9708 178.3853 12 E 3.8223 8.0037 119.0799 59.4932 29.4279 178.6766 13 E 3.8738 7.9956 119.1658 59.6083 29.6410 178.9063 14 S 4.0855 8.4427 113.2290 61.5420 62.3748 176.2937 15 Q 3.9993 8.0487 120.6695 58.8861 28.4598 178.3035 16 N 4.2914 8.2973 117.6095 56.3862 38.5737 177.1226 17 Q 3.9279 8.1256 120.8351 59.2674 29.1115 177.6748 18 Q 3.9244 7.9029 120.0462 59.6443 28.9690 178.5007 19 E 3.9488 8.4708 119.1904 59.5535 29.7626 179.4939 20 K 3.9453 8.1681 119.3417 59.5951 32.1586 178.5998 21 N 4.3542 8.4092 116.9450 56.2752 38.4061 177.0787 22 E 3.9377 8.3501 120.7612 59.2538 29.6948 178.6862 23 Q 4.0933 8.1942 117.8692 58.3220 28.8328 178.1415 24 E 4.1152 8.1069 119.4838 58.9660 29.3119 179.3327 25 L 3.9806 8.1152 119.3460 57.8282 41.7509 179.3582 26 L 3.9913 8.2126 119.2690 57.7719 41.4677 179.2530 27 E 3.9352 8.5325 119.5901 59.1324 29.5389 178.3880 28 L 4.0305 8.2409 120.7654 58.5527 41.9232 178.4593 29 D 4.4038 8.2176 116.5051 57.2649 41.2679 177.9252 30 K 4.1305 8.1341 120.2884 59.1166 32.3838 178.7307 31 W 4.0833 8.7581 128.7932 60.2633 30.6057 177.7100 32 A 3.9595 8.8088 120.8697 54.9023 17.8373 179.3132 33 S 4.0427 8.0369 111.7666 60.8511 62.2065 175.8820 34 L 3.4224 6.7277 120.6101 57.0660 41.0783 178.8392 35 W 4.5464 6.5252 117.1439 58.4404 29.3691 176.0967 36 N 4.5039 7.7506 119.8356 53.5154 37.9351 174.6207 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 N 8.27 4.40 0.00 1.91 2.67 0.00 0.00 5.90 6.07 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 2 N 7.73 3.67 0.00 3.04 3.04 0.00 0.00 6.24 6.68 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 3 Y 8.66 4.41 0.00 3.00 2.98 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 0.00 0.00 0.00 4 T 8.12 3.93 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 1.24 0.00 0.00 5 S 8.03 4.21 0.00 4.06 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 6 L 8.53 4.05 0.00 2.01 1.82 1.01 0.82 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 7 I 8.43 3.75 2.07 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.93 0.00 0.00 8 H 8.51 4.15 0.00 3.21 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.44 4.22 0.00 4.10 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 10 L 7.88 4.01 0.00 1.86 1.70 0.92 0.73 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 11 I 7.92 3.68 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.87 0.00 0.00 12 E 8.00 3.82 0.00 2.05 1.95 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 2.23 2.34 0.00 13 E 8.00 3.87 0.00 2.13 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 0.00 2.31 2.38 0.00 14 S 8.44 4.09 0.00 3.89 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 15 Q 8.05 4.00 0.00 2.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 16 N 8.30 4.29 0.00 2.76 2.86 0.00 0.00 6.67 7.37 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 17 Q 8.13 3.93 0.00 2.34 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 18 Q 7.90 3.92 0.00 2.27 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 19 E 8.47 3.95 0.00 2.03 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 2.33 2.48 0.00 20 K 8.17 3.95 0.00 1.82 2.08 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.48 7.81 21 N 8.41 4.35 0.00 2.89 2.84 0.00 0.00 6.64 7.36 0.00 0.00 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 E 8.35 3.94 0.00 2.04 2.19 0.00 0.00 0.00 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 2.36 0.00 23 Q 8.19 4.09 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 24 E 8.11 4.12 0.00 2.22 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 0.00 2.31 2.52 0.00 25 L 8.12 3.98 0.00 1.93 1.73 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.21 3.99 0.00 1.89 1.74 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.53 3.94 0.00 2.08 2.11 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 2.33 2.37 0.00 28 L 8.24 4.03 0.00 1.83 1.96 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.22 4.40 0.00 2.73 2.85 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 30 K 8.13 4.13 0.00 1.93 2.00 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.44 7.81 31 W 8.76 4.08 0.00 3.48 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 32 A 8.81 3.96 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.04 4.04 0.00 3.87 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 34 L 6.73 3.42 0.00 0.27 0.13 0.54 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 35 W 6.53 4.55 0.00 3.12 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.50 0.00 2.81 2.70 0.00 0.00 6.85 7.08 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