NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.3673 8.3649 120.4862 54.3398 42.2595 174.8790 2 C 4.4879 7.8628 117.3496 55.3383 38.3377 171.7369 3 Y 5.1272 9.3691 119.7327 56.8840 43.1441 172.8857 4 C 5.5962 8.8398 118.5615 55.8726 42.3042 173.5993 5 R 5.3312 9.6495 122.2023 54.6327 34.3199 174.2955 6 I 4.8542 8.4518 121.8593 59.0390 39.8231 174.1083 7 P 4.2958 0.0000 0.0000 64.8942 31.9205 175.6767 8 A 4.5673 7.4297 118.8981 50.9179 21.7723 176.2928 9 C 4.5383 8.7161 117.4653 57.3187 41.5379 174.1104 10 I 4.1971 8.2962 116.4866 58.5966 39.3757 174.6573 11 A 4.1343 8.3657 122.9507 54.3590 18.0977 177.9954 12 G 4.0247 9.2657 111.3194 45.0221 0.0000 172.8336 13 E 4.9146 7.8874 118.2548 54.1443 32.6074 175.0719 14 K 4.5893 8.6494 122.5720 54.3460 35.4788 174.7990 15 K 4.6794 8.4873 128.1621 56.4798 32.5830 175.7740 16 Y 4.5442 10.1282 124.1003 57.0536 39.3955 177.3976 17 G 4.1739 7.3881 106.7038 46.4142 0.0000 171.1335 18 T 5.3981 8.1507 111.5366 60.5618 72.4854 174.2041 19 C 5.1734 9.4158 119.0719 55.2313 44.4812 173.1970 20 I 5.2870 8.2961 121.7246 59.9841 39.1479 174.7225 21 Y 4.7947 9.2258 126.8997 57.7262 41.9574 174.4204 22 Q 3.1220 9.2039 124.7929 57.0347 26.3945 174.5170 23 G 3.9723 8.5865 102.1759 45.9169 0.0000 173.9958 24 K 4.6717 8.0436 117.9308 54.0656 35.9823 174.6337 25 L 5.1126 8.2808 122.5694 54.0771 43.0503 175.6750 26 W 5.0486 9.6462 125.4221 54.6396 33.3199 174.4061 27 A 4.6630 9.0836 124.4316 51.7005 19.7589 176.4471 28 F 5.3084 9.4652 125.7853 57.5064 40.8385 173.7935 29 C 5.5042 9.3219 124.3733 55.2664 44.7567 173.8290 30 C 4.5752 9.1072 119.5776 57.0685 41.7412 173.9518 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 D 8.36 4.37 0.00 2.31 2.29 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 2 C 7.86 4.49 0.00 2.50 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 9.37 5.13 0.00 2.79 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.84 5.60 0.00 2.44 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 5 R 9.65 5.33 0.00 1.85 1.90 0.00 3.30 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 6 I 8.45 4.85 1.27 0.00 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 -0.16 0.64 0.00 0.00 7 P 0.00 4.30 0.00 2.16 2.13 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 8 A 7.43 4.57 1.23 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 0.00 0.00 9 C 8.72 4.54 0.00 3.00 3.07 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 10 I 8.30 4.20 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.94 0.00 0.00 11 A 8.37 4.13 1.28 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 0.00 0.00 12 G 9.27 4.02 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 0.00 0.00 0.00 13 E 7.89 4.91 0.00 2.13 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 2.28 2.25 0.00 14 K 8.65 4.59 0.00 1.77 1.65 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.43 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.59 1.10 7.81 15 K 8.49 4.68 0.00 1.80 1.63 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.55 7.81 16 Y 10.13 4.54 0.00 2.93 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.39 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 5.40 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 19 C 9.42 5.17 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 5.29 1.94 0.00 0.00 0.90 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 0.68 1.00 0.00 0.00 21 Y 9.23 4.79 0.00 2.72 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.20 3.12 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.14 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 23 G 8.59 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.04 4.67 0.00 1.70 1.46 0.00 1.40 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.57 7.81 25 L 8.28 5.11 0.00 1.67 1.57 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.65 5.05 0.00 3.27 3.36 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 0.00 0.00 0.00 0.00 27 A 9.08 4.66 1.35 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 0.00 0.00 28 F 9.47 5.31 0.00 3.05 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 29 C 9.32 5.50 0.00 2.88 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 30 C 9.11 4.58 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00