NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2942 8.1844 122.4924 55.2448 44.0797 177.7960 2 E 4.0313 8.2306 118.1760 58.5615 30.0826 176.0104 3 A 4.0729 8.3082 120.6423 54.6704 19.2444 177.2196 4 I 3.9649 7.2046 115.6838 59.9571 39.4407 171.7336 5 P 4.7500 0.0000 0.0000 62.8760 32.4624 176.9808 6 C 4.5629 8.2933 121.0708 56.2095 48.1332 173.9365 7 S 4.6464 9.4201 121.8273 59.0846 60.5865 169.5977 8 I 3.8956 6.6389 118.5384 61.7128 37.4797 174.7272 9 P 4.3020 0.0000 0.0000 62.0248 32.1468 175.3077 10 P 4.1431 0.0000 0.0000 63.3983 29.6698 176.1019 11 C 4.8953 7.4980 121.2092 55.6709 43.9309 174.7348 12 F 4.5024 8.2184 118.2364 56.4022 39.9761 173.1124 13 A 3.7751 9.4053 127.4981 52.0364 16.9781 180.8565 14 F 5.0281 7.2557 112.4873 56.7995 39.7678 175.3454 15 N 4.5397 8.1902 117.5942 53.6627 40.0629 175.7643 16 K 3.5074 7.7779 116.4545 56.0174 30.2072 172.5131 17 P 4.2246 0.0000 0.0000 63.1865 32.2826 177.4841 18 F 5.0248 8.0735 118.1630 56.7697 40.9094 173.4929 19 V 4.5012 7.5304 122.0868 61.3797 34.9742 174.5062 20 F 4.2483 8.5370 125.4741 59.0473 39.1215 173.5539 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 L 8.18 4.29 0.00 1.64 1.78 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.23 4.03 0.00 2.10 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 2.36 2.57 0.00 3 A 8.31 4.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.20 3.96 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.41 0.85 0.00 0.00 5 P 0.00 4.75 0.00 2.23 2.28 0.00 3.65 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 6 C 8.29 4.56 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.42 4.65 0.00 3.90 4.23 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.64 3.90 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.48 0.88 0.00 0.00 9 P 0.00 4.30 0.00 2.10 2.02 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 10 P 0.00 4.14 0.00 2.34 2.24 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 11 C 7.50 4.90 0.00 2.67 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.22 4.50 0.00 3.05 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 13 A 9.41 3.78 1.01 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 0.00 0.00 0.00 14 F 7.26 5.03 0.00 3.06 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.54 0.00 2.66 2.79 0.00 0.00 7.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.78 3.51 0.00 1.73 1.70 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.20 7.81 17 P 0.00 4.22 0.00 1.97 2.00 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 18 F 8.07 5.02 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.53 4.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.08 0.00 0.00 20 F 8.54 4.25 0.00 2.91 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00