NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9955 8.2127 109.7414 45.5060 0.0000 176.7001 2 I 3.4439 8.2618 122.9309 62.5144 37.5970 172.1333 3 V 3.5129 8.4253 120.1044 65.9809 31.6423 177.0892 4 E 3.9329 8.0659 116.1913 59.7030 29.4862 178.8355 5 Q 4.1755 8.0390 117.8682 58.4891 29.2335 175.8981 6 C 5.1641 8.1279 112.8241 55.6515 41.9876 174.0975 7 C 4.3842 8.1349 116.8156 59.9116 28.2696 174.1089 8 T 4.4666 7.9434 109.0481 61.6951 70.2411 174.3366 9 S 4.7907 7.6120 115.3130 55.4762 65.4337 173.2668 10 I 3.9253 8.3261 123.7223 62.0477 37.2417 176.2772 11 C 4.8650 8.6165 123.3545 55.8587 41.1443 174.4770 12 S 4.5351 8.5272 119.2373 58.1034 64.7879 175.6078 13 L 4.0622 8.5460 122.4267 58.1211 41.0866 179.5004 14 Y 3.9603 8.1215 115.8253 61.1012 37.8511 177.8207 15 Q 4.1995 8.6227 119.2781 58.8538 28.7702 178.7881 16 L 4.3277 8.1021 120.2482 57.4370 41.5657 178.6051 17 E 3.8856 8.0235 119.1676 59.5391 29.1313 178.5734 18 N 4.0943 7.5131 113.9389 56.6395 38.6321 175.5072 19 Y 4.3232 7.6701 112.6007 58.7654 38.3288 175.8047 20 C 4.3478 7.7940 118.3084 59.6763 28.8716 173.5511 21 N 4.5409 8.5837 118.3099 53.7560 38.1858 175.2778 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 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 0.00 0.00 0.00 2 I 8.26 3.44 0.81 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.99 0.64 0.00 0.00 3 V 8.43 3.51 2.05 0.00 0.00 0.00 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 0.88 0.00 0.00 4 E 8.07 3.93 0.00 2.13 2.02 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 2.33 2.44 0.00 5 Q 8.04 4.18 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 6 C 8.13 5.16 0.00 3.04 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 7 C 8.13 4.38 0.00 3.09 2.95 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 8 T 7.94 4.47 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 1.21 0.00 0.00 9 S 7.61 4.79 0.00 4.00 3.98 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 10 I 8.33 3.93 1.89 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 1.42 0.54 0.93 0.00 0.00 11 C 8.62 4.86 0.00 3.00 3.08 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 12 S 8.53 4.54 0.00 4.14 4.06 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 13 L 8.55 4.06 0.00 1.80 1.67 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.12 3.96 0.00 2.92 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.20 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 16 L 8.10 4.33 0.00 1.89 1.78 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.02 3.89 0.00 1.97 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 2.28 2.39 0.00 18 N 7.51 4.09 0.00 2.44 2.46 0.00 0.00 7.09 7.34 0.00 0.00 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 7.67 4.32 0.00 3.03 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 20 C 7.79 4.35 0.00 3.07 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 21 N 8.58 4.54 0.00 2.72 2.73 0.00 0.00 6.81 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