NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4300 8.3349 115.2915 57.4429 64.3457 173.2082 2 R 4.5278 7.7557 118.0245 54.3248 32.4084 169.7225 3 V 4.4540 7.6700 119.7032 61.4405 35.3244 173.5656 4 T 4.2746 8.1952 113.8496 60.6671 69.7812 175.2126 5 W 4.5416 8.3331 118.2850 59.1968 28.2639 177.9484 6 Y 3.9559 7.1447 120.3929 60.8850 38.1343 177.4239 7 D 4.2590 7.7898 117.7688 56.9992 40.9011 178.2264 8 F 4.4404 7.8178 120.2073 61.2746 39.2874 176.7782 9 L 3.8300 7.8739 118.0605 57.2606 41.3874 178.1759 10 M 4.0899 7.5251 115.1294 55.4053 32.4076 175.9197 11 E 4.0607 7.1163 118.0353 56.9023 30.3710 176.3524 12 D 4.4512 8.5126 121.3369 54.3234 41.3582 175.7641 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 S 8.33 4.43 0.00 3.85 3.96 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 2 R 7.76 4.53 0.00 1.89 1.80 0.00 3.25 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 3 V 7.67 4.45 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.97 0.00 0.00 4 T 8.20 4.27 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 5 W 8.33 4.54 0.00 3.66 3.43 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 0.00 6 Y 7.14 3.96 0.00 2.09 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.79 4.26 0.00 2.74 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.82 4.44 0.00 3.10 3.35 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 0.00 0.00 0.00 0.00 9 L 7.87 3.83 0.00 1.68 1.61 1.14 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.53 4.09 0.00 1.76 1.65 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 11 E 7.12 4.06 0.00 1.95 1.80 0.00 0.00 0.00 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 2.55 0.00 12 D 8.51 4.45 0.00 2.57 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00