NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9279 8.2127 109.7458 45.0269 0.0000 174.5574 2 I 2.7094 7.8750 120.0804 62.5725 37.6790 173.2106 3 V 3.4696 8.2466 120.0834 66.3825 31.7253 177.2289 4 H 4.3381 8.0005 114.0538 58.5550 28.6879 177.0971 5 Q 4.1725 8.0332 120.8945 58.9559 29.0068 176.6664 6 C 4.9314 8.0829 115.7372 57.3647 40.7054 174.4931 7 C 4.3197 7.9699 117.0965 60.0867 28.5529 174.4580 8 H 4.5389 8.0388 119.3291 57.0313 30.4974 174.7981 9 S 4.8486 7.3240 115.1000 56.1489 66.5725 173.4873 10 I 3.9064 8.3538 123.8231 61.6558 37.3919 176.2554 11 C 5.1244 8.6142 122.7079 55.2297 41.0762 174.6838 12 S 4.5575 9.2784 120.5761 57.2233 65.2941 174.9067 13 L 3.8156 8.4012 122.9734 58.8271 41.2665 178.5247 14 Y 4.0846 7.5467 114.6135 61.2850 38.1452 178.2605 15 Q 4.2077 7.9921 119.1029 58.9043 28.8433 178.6818 16 L 4.3380 8.4720 120.3608 57.4698 41.6396 178.9267 17 E 4.0420 8.1794 119.0641 58.9909 29.2109 178.5145 18 N 4.2991 7.7184 115.4965 55.9225 38.5360 175.8012 19 Y 4.4782 7.4674 115.6764 57.5196 38.4046 175.3973 20 C 4.5219 7.1047 117.8079 58.8982 29.3704 173.5414 21 N 4.5412 8.5587 117.9517 53.7824 38.1679 175.3304 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 G 8.21 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 2 I 7.88 2.71 0.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.66 0.00 0.00 3 V 8.25 3.47 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 0.99 0.00 0.00 0.84 0.00 0.00 4 H 8.00 4.34 0.00 3.14 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.03 4.17 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 6 C 8.08 4.93 0.00 3.06 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 7 C 7.97 4.32 0.00 3.14 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 8 H 8.04 4.54 0.00 3.20 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.32 4.85 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 10 I 8.35 3.91 1.90 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 1.43 0.48 0.93 0.00 0.00 11 C 8.61 5.12 0.00 2.98 3.07 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 0.00 0.00 0.00 0.00 12 S 9.28 4.56 0.00 4.15 4.10 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 0.00 0.00 0.00 0.00 13 L 8.40 3.82 0.00 1.55 1.34 0.73 -0.00 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 14 Y 7.55 4.08 0.00 3.06 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.21 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.47 4.34 0.00 1.85 1.79 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.18 4.04 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 2.31 2.35 0.00 18 N 7.72 4.30 0.00 1.97 2.51 0.00 0.00 7.00 8.35 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 19 Y 7.47 4.48 0.00 3.13 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 20 C 7.10 4.52 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.56 4.54 0.00 2.72 2.74 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00