NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3178 0.0000 0.0000 62.3960 33.5652 177.3251 2 T 3.2026 8.0440 114.1291 64.8977 68.7453 172.2879 3 P 4.0772 0.0000 0.0000 62.1329 29.8280 174.8994 4 C 5.0689 8.2563 120.5725 54.3056 42.2192 174.7995 5 V 3.8095 8.2870 123.0598 62.3304 31.7291 173.7788 6 P 4.4687 0.0000 0.0000 64.0360 31.9442 176.7171 7 A 3.8969 9.0522 122.2703 51.9639 16.4651 177.2289 8 E 5.0660 8.0791 114.9390 54.7672 32.6349 174.8008 9 C 4.9863 9.3100 122.5012 55.0390 43.3999 172.9284 10 F 4.6817 8.7203 124.3876 57.9956 39.9013 174.2614 11 D 4.4615 8.0740 127.3302 53.0795 41.2591 177.1103 12 L 3.9653 8.4876 126.7725 56.8547 42.0301 178.4975 13 L 4.0747 8.1063 120.9886 57.6861 42.1891 177.9985 14 V 3.6700 7.6712 115.6801 63.1142 32.1173 175.4745 15 R 3.4578 7.4916 117.3762 57.0330 27.8939 174.9095 16 H 4.8205 6.4141 109.7142 54.7715 31.7047 174.8699 17 C 4.9982 9.1771 117.4252 57.7252 37.6423 173.4617 18 V 4.6428 9.1889 121.8739 60.6122 35.6122 173.8270 19 A 4.4280 8.7557 127.0207 52.8078 18.6857 178.9917 20 C 4.0614 9.0597 121.3351 60.5020 40.7885 177.0175 21 G 3.6819 8.2701 107.4510 48.6022 0.0000 174.3221 22 L 4.0364 8.1919 119.6362 57.0119 41.8177 177.7776 23 L 4.5753 7.2658 116.1574 52.6252 43.2517 176.4420 24 R 3.9182 8.2956 121.5471 56.1351 30.5582 176.2394 25 T 3.7017 8.5498 114.4774 61.4366 68.5203 171.1549 26 P 4.0353 0.0000 0.0000 62.0781 31.1486 175.9521 27 R 3.6951 8.6823 123.5084 55.9583 29.9663 173.8418 28 P 4.3458 0.0000 0.0000 63.4421 31.0582 175.2138 29 K 4.5887 8.3155 119.9831 57.1371 38.4870 175.2782 30 P 4.5500 0.0000 0.0000 62.4652 32.3217 176.1040 31 A 4.1583 8.1233 120.9632 53.0613 18.9334 176.1396 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 P 0.00 4.32 0.00 1.84 2.08 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.05 0.00 2 T 8.04 3.20 4.05 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 1.13 0.00 0.00 3 P 0.00 4.08 0.00 2.03 1.96 0.00 3.40 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.12 0.00 4 C 8.26 5.07 0.00 2.96 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 5 V 8.29 3.81 2.10 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 1.01 0.00 0.00 0.95 0.00 0.00 6 P 0.00 4.47 0.00 2.08 1.98 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 7 A 9.05 3.90 1.43 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 0.00 0.00 8 E 8.08 5.07 0.00 2.06 1.87 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 2.24 2.27 0.00 9 C 9.31 4.99 0.00 2.82 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.72 4.68 0.00 3.00 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 11 D 8.07 4.46 0.00 2.55 2.24 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 0.00 12 L 8.49 3.97 0.00 1.65 1.73 0.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.11 4.07 0.00 1.51 1.78 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.67 3.67 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 15 R 7.49 3.46 0.00 2.01 2.08 0.00 3.28 0.00 0.00 3.35 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 16 H 6.41 4.82 0.00 3.18 3.35 0.00 5.46 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 C 9.18 5.00 0.00 2.97 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 9.19 4.64 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 0.84 0.00 0.00 0.81 0.00 0.00 19 A 8.76 4.43 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.06 4.06 0.00 3.04 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.27 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.19 4.04 0.00 1.70 1.74 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.27 4.58 0.00 1.61 1.56 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 R 8.30 3.92 0.00 1.74 1.83 0.00 3.30 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 25 T 8.55 3.70 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 26 P 0.00 4.04 0.00 2.06 2.13 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 27 R 8.68 3.70 0.00 1.74 1.89 0.00 3.30 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.75 0.00 28 P 0.00 4.35 0.00 2.08 2.03 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 29 K 8.32 4.59 0.00 1.69 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.62 7.81 30 P 0.00 4.55 0.00 2.04 2.03 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 31 A 8.12 4.16 1.19 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 0.00 0.00 0.00 0.00 0.00