NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9970 8.2127 109.7435 45.3698 0.0000 173.7711 2 I 3.0649 8.0369 117.5529 62.8521 37.5555 173.2658 3 V 3.4747 7.7410 119.0161 65.8964 31.9335 176.9593 4 E 3.8965 8.0957 118.6177 59.4475 29.2741 178.4323 5 Q 4.0316 7.9776 118.5704 58.4270 29.2134 176.3504 6 C 4.8669 8.2813 115.2604 56.8632 42.4196 174.9906 7 C 4.3399 7.8066 118.4773 61.7664 31.9358 175.2179 8 T 4.0054 8.0442 116.4167 66.0799 68.4552 174.7636 9 S 4.7063 7.7949 114.3193 57.0025 65.2069 173.0181 10 I 4.4613 8.0691 121.6724 59.8625 38.5798 174.4078 11 C 5.0453 8.5045 119.1194 53.3458 45.0189 174.2069 12 S 4.5810 8.2454 116.4592 57.3118 65.3345 174.8740 13 L 3.9426 8.4154 122.7672 58.6008 41.4730 178.1967 14 Y 4.1410 7.9962 117.8379 60.7312 39.2014 177.5088 15 Q 3.8580 8.1107 118.6793 58.7025 28.8544 178.3580 16 L 4.0446 8.1307 121.4590 58.4352 42.1263 178.9086 17 E 4.0603 8.5270 118.3769 59.1717 29.0787 178.9925 18 N 4.2018 7.5730 115.6026 55.4955 38.5007 175.7213 19 Y 4.4235 7.4871 115.9393 57.0635 38.6210 175.6153 20 C 4.3198 6.9510 118.0895 59.9407 29.0317 173.2803 21 N 4.1452 8.9287 119.4701 53.4554 39.0849 174.2268 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 8.04 3.06 1.01 0.00 0.00 0.40 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 0.14 0.70 0.00 0.00 3 V 7.74 3.47 2.04 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 1.04 0.00 0.00 0.87 0.00 0.00 4 E 8.10 3.90 0.00 2.12 1.93 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 2.39 2.44 0.00 5 Q 7.98 4.03 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 6 C 8.28 4.87 0.00 2.98 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 7 C 7.81 4.34 0.00 2.91 3.14 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 0.00 0.00 0.00 8 T 8.04 4.01 4.43 0.00 0.00 0.00 0.00 0.00 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 7.79 4.71 0.00 3.99 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.46 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 1.47 0.57 0.92 0.00 0.00 11 C 8.50 5.05 0.00 3.09 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.58 0.00 4.14 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 8.42 3.94 0.00 1.82 1.78 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.00 4.14 0.00 2.99 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 8.11 3.86 0.00 2.40 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 16 L 8.13 4.04 0.00 2.03 1.77 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.53 4.06 0.00 2.10 1.98 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 2.34 2.60 0.00 18 N 7.57 4.20 0.00 2.40 2.44 0.00 0.00 6.94 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 19 Y 7.49 4.42 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 6.95 4.32 0.00 3.00 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 8.93 4.15 0.00 2.74 2.93 0.00 0.00 6.88 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