NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0270 8.0549 114.0576 61.2317 33.2700 173.5638 2 I 4.2339 7.9469 121.6674 60.3661 38.7949 174.3975 3 H 4.4592 9.0153 122.2271 55.7200 31.3821 177.2380 4 C 4.0639 8.1325 116.5844 57.6277 41.4296 172.1792 5 D 4.0829 7.9751 116.7138 53.7625 41.6684 175.7877 6 A 4.2746 7.6322 118.5484 53.6723 16.5873 178.0050 7 A 4.6646 7.4125 119.9090 53.2623 20.3913 177.6422 8 T 4.5592 7.3767 112.4060 61.9643 72.1923 173.2720 9 I 4.2456 8.1695 126.9916 61.1387 38.7468 175.8258 10 C 5.0568 8.5397 119.8546 54.6451 39.6222 171.9886 11 P 4.6285 0.0000 0.0000 62.3941 32.3889 175.4577 12 D 4.2487 8.7856 123.3301 58.6201 40.0810 175.0479 13 G 3.1613 8.1407 115.3037 44.8228 0.0000 171.5881 14 T 4.9742 7.4294 110.5694 60.0484 71.5970 173.5323 15 T 4.7575 8.9364 117.4260 60.6898 70.4141 172.8691 16 C 4.9556 8.7118 123.6350 56.7152 41.9567 173.2446 17 S 4.6777 8.6642 120.4058 56.3864 65.8996 173.4781 18 L 4.2210 8.0399 124.3987 53.5155 42.5455 177.0034 19 S 4.5557 8.6052 118.1124 56.8294 64.1132 173.5401 20 P 4.0822 0.0000 0.0000 64.8052 31.0263 176.8537 21 Y 4.6750 6.8307 115.4408 57.2709 38.6405 175.8967 22 G 3.6314 8.0037 105.6318 47.0346 0.0000 175.4980 23 V 4.3731 7.0971 117.5433 60.4141 34.8006 175.1712 24 W 4.8205 8.9555 129.1318 56.8813 29.5433 175.3752 25 Y 5.0783 8.7271 122.5874 55.4370 41.5740 173.4888 26 C 5.2025 9.0390 118.3959 56.3015 42.8830 172.8435 27 S 5.0483 8.9216 119.3930 55.5351 64.2491 171.4516 28 P 4.6979 0.0000 0.0000 62.9667 31.7909 175.3732 29 F 5.1305 7.3810 116.6618 55.7274 41.7486 174.6742 30 S 4.2256 8.6208 112.3740 58.9954 62.0536 173.9925 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 V 8.05 4.03 2.17 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 0.96 0.00 0.00 0.91 0.00 0.00 2 I 7.95 4.23 1.88 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 1.63 0.97 0.91 0.00 0.00 3 H 9.02 4.46 0.00 3.12 3.24 0.00 6.05 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.13 4.06 0.00 2.89 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.08 0.00 1.74 2.07 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 6 A 7.63 4.27 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 7 A 7.41 4.66 1.09 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 0.00 0.00 8 T 7.38 4.56 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 1.28 0.00 0.00 9 I 8.17 4.25 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.44 0.78 0.00 0.00 10 C 8.54 5.06 0.00 2.96 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.63 0.00 2.05 1.95 0.00 3.62 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 2.12 2.12 0.00 12 D 8.79 4.25 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.14 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.43 4.97 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 15 T 8.94 4.76 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 1.37 0.00 0.00 16 C 8.71 4.96 0.00 3.07 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 17 S 8.66 4.68 0.00 2.72 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.04 4.22 0.00 0.99 1.11 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.61 4.56 0.00 3.81 4.32 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 1.47 1.97 0.00 2.66 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.89 0.00 21 Y 6.83 4.67 0.00 2.97 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 22 G 8.00 3.63 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 0.00 0.00 0.00 23 V 7.10 4.37 2.20 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 1.18 0.00 0.00 1.16 0.00 0.00 24 W 8.96 4.82 0.00 3.24 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 25 Y 8.73 5.08 0.00 3.07 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 26 C 9.04 5.20 0.00 2.96 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.92 5.05 0.00 4.07 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.70 0.00 2.08 2.00 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 29 F 7.38 5.13 0.00 2.86 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 S 8.62 4.23 0.00 3.81 3.74 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