NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9973 8.2127 109.7442 45.3482 0.0000 173.8479 2 I 3.5013 8.1009 118.9276 62.4410 37.6343 173.0425 3 V 3.5396 7.5471 119.2310 65.8813 31.6483 177.2225 4 E 3.9740 8.0714 115.7186 59.6075 28.1819 178.7035 5 Q 4.1826 8.1964 118.6047 58.1140 28.6371 177.0347 6 C 5.4525 8.1143 116.0191 56.4649 42.3348 175.5111 7 C 4.1073 8.1954 117.6771 61.7136 28.0144 175.2000 8 T 4.2836 7.8186 109.6453 62.1723 69.7768 174.6119 9 S 4.5831 7.0521 114.5646 56.0939 65.7466 172.8767 10 I 3.9635 8.2705 126.6498 61.5365 36.8940 176.5484 11 C 4.5786 8.6895 124.4830 55.8321 38.9495 174.6401 12 S 4.4788 8.5220 120.1777 57.9524 64.6387 174.9038 13 L 4.0225 8.5383 122.1821 58.1792 41.0594 179.2347 14 Y 4.2218 8.0002 118.0223 60.9170 38.8618 177.5868 15 Q 3.9474 8.1836 120.1417 59.0453 29.0332 178.1622 16 L 4.2608 8.0101 120.4497 57.3156 41.5406 178.8527 17 E 4.0777 7.9445 117.5876 58.7834 29.1041 178.3559 18 N 4.3287 7.4512 116.3190 55.0182 38.4421 174.6707 19 Y 4.6703 7.5945 116.9690 57.6707 39.1690 175.1463 20 C 4.5692 7.5882 117.6458 58.7647 29.4517 173.6349 21 N 4.5353 8.5359 117.8103 53.7754 38.2037 175.3740 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 8.10 3.50 1.23 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.88 0.71 0.00 0.00 3 V 7.55 3.54 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 1.01 0.00 0.00 0.88 0.00 0.00 4 E 8.07 3.97 0.00 2.17 2.08 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 2.51 2.37 0.00 5 Q 8.20 4.18 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.70 2.69 0.00 6 C 8.11 5.45 0.00 2.95 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 7 C 8.20 4.11 0.00 3.11 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 T 7.82 4.28 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 7.05 4.58 0.00 3.91 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 8.27 3.96 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 0.66 0.93 0.00 0.00 11 C 8.69 4.58 0.00 2.98 3.10 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 12 S 8.52 4.48 0.00 4.13 4.07 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 13 L 8.54 4.02 0.00 1.78 1.82 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.00 4.22 0.00 2.96 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 8.18 3.95 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 16 L 8.01 4.26 0.00 1.96 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.94 4.08 0.00 2.06 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 2.38 2.48 0.00 18 N 7.45 4.33 0.00 2.09 2.47 0.00 0.00 6.76 7.12 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 19 Y 7.59 4.67 0.00 3.16 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 20 C 7.59 4.57 0.00 2.99 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 21 N 8.54 4.54 0.00 2.70 2.73 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