NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9970 8.3129 109.7456 44.9745 0.0000 175.1018 2 I 3.5968 8.6473 121.3402 64.4458 35.2043 173.8915 3 V 3.6438 8.4803 121.5185 66.1450 31.6447 177.7489 4 E 4.0769 8.2199 118.0827 59.3216 29.2133 179.1419 5 Q 3.9434 7.9495 119.1582 59.3658 29.0079 178.6191 6 C 4.1824 8.1471 116.6044 60.3230 40.3265 175.5095 7 C 4.1901 7.5061 117.7476 62.4357 31.3182 175.1711 8 T 4.2217 7.9851 110.0757 62.1133 69.2007 174.8898 9 S 4.7623 9.0563 113.9442 57.6489 62.0779 176.2527 10 I 4.7202 8.3155 107.5948 59.3384 39.8402 172.3630 11 C 5.0424 8.3421 115.3705 53.8194 39.8743 173.3833 12 S 4.8762 8.4283 114.6009 56.9484 64.5195 175.3139 13 L 3.9928 8.3810 121.6750 58.1116 41.3711 179.4028 14 Y 4.0657 7.9196 116.4515 61.2090 37.7857 178.4734 15 Q 4.1802 8.1797 118.6756 58.6953 28.8242 178.3487 16 L 4.3107 7.7912 119.3757 56.8187 41.6042 178.6208 17 E 4.1104 8.0927 119.1745 58.7577 29.3031 178.2298 18 N 4.3914 7.8846 115.4569 55.9393 38.6242 175.9102 19 Y 4.3578 7.8561 116.2376 58.5143 38.5671 175.2519 20 C 4.4970 7.6648 117.9649 59.6605 29.2283 173.4752 21 N 4.5554 8.5064 116.8780 53.7649 38.3720 175.3672 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 8.31 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 8.65 3.60 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.61 0.91 0.00 0.00 3 V 8.48 3.64 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 0.89 0.00 0.00 0.54 0.00 0.00 4 E 8.22 4.08 0.00 2.32 1.99 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 2.34 2.37 0.00 5 Q 7.95 3.94 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 6 C 8.15 4.18 0.00 2.93 3.12 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 7 C 7.51 4.19 0.00 3.00 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 8 T 7.99 4.22 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 1.23 0.00 0.00 9 S 9.06 4.76 0.00 3.76 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 10 I 8.32 4.72 1.88 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 1.48 0.69 0.92 0.00 0.00 11 C 8.34 5.04 0.00 3.20 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.88 0.00 4.24 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 13 L 8.38 3.99 0.00 1.41 1.58 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.92 4.07 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.18 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 16 L 7.79 4.31 0.00 1.81 1.69 0.87 1.11 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 17 E 8.09 4.11 0.00 2.22 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 0.00 2.34 2.35 0.00 18 N 7.88 4.39 0.00 2.79 2.75 0.00 0.00 6.98 8.70 0.00 0.00 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 7.86 4.36 0.00 3.08 3.02 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 20 C 7.66 4.50 0.00 2.95 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 21 N 8.51 4.56 0.00 2.71 2.72 0.00 0.00 6.68 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