NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4859 8.3301 117.1096 57.4320 64.4478 173.3805 2 A 4.0587 8.1263 124.3848 51.5131 18.8601 176.4569 3 W 4.6612 8.7905 119.2843 57.6336 30.6152 175.9979 4 R 3.7016 6.3747 118.2415 56.6512 29.0722 177.2041 5 K 4.0840 7.0101 117.5763 55.8888 32.5304 181.9987 6 A 4.8833 7.7121 120.6704 51.5712 21.5972 176.3916 7 G 3.9275 8.7169 110.0260 48.6855 0.0000 176.9982 8 I 4.7939 5.7235 120.4427 59.0383 41.0101 176.7868 9 S 4.4601 8.7743 114.9334 60.0956 63.4516 175.1286 10 Y 4.4741 9.1202 120.1610 60.7573 38.0241 177.8228 11 A 3.9132 8.2147 121.3909 54.8238 18.5416 179.0382 12 A 4.1203 7.6621 118.2038 54.8109 18.5337 179.1175 13 Y 4.0241 7.8725 117.6864 60.6109 39.2408 177.6948 14 L 3.8818 7.4138 118.9180 56.0972 41.9045 178.6928 15 N 4.2631 7.3864 116.4804 56.7366 39.0788 177.0148 16 V 3.5353 7.7058 119.2700 65.7963 31.4935 177.5745 17 A 3.9959 7.4599 118.7481 54.2056 18.3611 179.4539 18 A 3.8829 7.7009 119.8487 55.3712 18.4725 179.8818 19 Q 3.9180 7.9134 115.8924 58.8169 28.7458 178.3387 20 A 4.0267 7.7714 123.2050 55.6862 18.6511 180.2558 21 I 3.8574 7.8960 120.9588 66.0371 35.5249 181.3708 22 R 4.4496 7.9559 123.5313 60.8443 29.1548 180.4940 23 S 5.0104 7.7019 116.8247 61.1830 63.0310 180.2900 24 S 4.8012 8.2543 119.4106 59.3823 62.8126 179.1612 25 L 4.7472 7.4288 123.4731 53.9903 43.2635 181.2850 26 K 4.2991 8.2488 116.0980 56.5522 32.1393 173.0065 27 T 4.1576 8.2904 115.1211 63.7541 67.8267 175.4690 28 E 4.1563 8.1449 121.2091 58.7006 29.9259 176.4910 29 L 4.5581 7.7324 116.5738 54.9579 42.0139 176.9171 30 Q 4.3908 7.6412 121.8374 53.7656 28.4170 174.7256 31 T 3.9673 7.9123 117.3504 61.3665 68.2838 174.7267 32 A 4.1188 8.4466 126.1309 54.6645 18.0830 179.8266 33 S 4.0436 7.6553 111.1851 61.3756 62.5191 175.9732 34 V 3.8930 7.9308 123.1167 66.0429 31.3644 178.0720 35 L 4.0143 7.8778 121.6512 60.0219 40.5954 181.6078 36 N 4.6989 8.2200 116.3209 55.1664 38.3564 177.3065 37 R 4.0385 7.5618 119.7758 57.9961 30.2485 176.4844 38 S 4.5664 7.9326 113.3225 58.4498 62.9736 173.6963 39 Q 4.7196 7.5643 119.9325 54.7675 30.0390 180.6219 40 T 4.7923 8.0113 112.4204 59.3513 72.7328 172.0594 41 D 5.0608 8.5518 123.6648 53.2151 42.0964 175.6171 42 A 5.0142 7.7926 120.7125 50.2846 21.9908 176.9538 43 F 5.3286 9.2267 120.7112 55.7753 41.8384 174.4750 44 Y 5.0485 8.8696 120.3782 55.9308 40.9759 174.8691 45 T 4.5638 8.3660 116.6862 62.1933 72.6348 173.1578 46 Q 4.4833 8.8062 128.1429 55.9645 30.4375 174.1207 47 Y 5.0310 9.0015 125.5389 57.1914 41.0953 176.4482 48 K 4.6082 8.5721 125.9860 54.1091 34.1669 177.6329 49 N 4.7089 8.7812 110.9825 55.4143 38.4907 171.3176 50 G 4.1290 7.8444 108.3166 46.8792 0.0000 175.0004 51 T 3.4721 8.2268 106.9480 60.9254 67.1048 173.8087 52 A 4.4538 7.6297 122.5736 53.3479 19.7907 176.3080 53 A 4.6682 8.1578 121.5263 51.5666 22.3013 176.5635 54 S 4.6588 8.6263 120.7854 57.2110 64.8675 175.7770 55 E 3.8828 8.6790 117.1845 57.1800 29.7184 175.7942 56 P 4.4714 0.0000 0.0000 63.3123 31.6025 173.0197 57 T 4.8863 8.1662 117.9205 59.5099 73.4053 171.3647 58 P 3.8735 0.0000 0.0000 62.8192 31.8611 178.2651 59 I 3.7872 7.7062 120.0956 59.7715 35.2856 174.8261 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 4.49 0.00 3.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.06 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 3 W 8.79 4.66 0.00 3.68 3.41 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 0.00 4 R 6.37 3.70 0.00 0.67 1.08 0.00 2.62 0.00 0.00 2.83 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.04 0.00 5 K 7.01 4.08 0.00 1.81 1.59 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 0.99 7.81 6 A 7.71 4.88 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 7 G 8.72 3.93 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 0.00 0.00 0.00 8 I 5.72 4.79 1.87 0.00 0.00 0.86 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 0.51 0.91 0.00 0.00 9 S 8.77 4.46 0.00 4.01 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.12 4.47 0.00 3.39 3.19 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 11 A 8.21 3.91 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 12 A 7.66 4.12 1.41 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 0.00 0.00 0.00 13 Y 7.87 4.02 0.00 2.89 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 14 L 7.41 3.88 0.00 1.38 1.43 0.44 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.39 4.26 0.00 2.98 2.85 0.00 0.00 6.64 7.59 0.00 0.00 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 V 7.71 3.54 1.94 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 0.89 0.00 0.00 0.98 0.00 0.00 17 A 7.46 4.00 1.15 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 0.00 0.00 18 A 7.70 3.88 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 3.92 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 20 A 7.77 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.91 0.00 0.00 22 R 7.96 4.45 0.00 1.92 1.89 0.00 3.20 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 23 S 7.70 5.01 0.00 3.71 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 24 S 8.25 4.80 0.00 3.56 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.75 0.00 1.65 1.52 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.25 4.30 0.00 1.77 1.62 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.99 7.81 27 T 8.29 4.16 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 1.21 0.00 0.00 28 E 8.14 4.16 0.00 1.96 1.94 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 2.27 2.32 0.00 29 L 7.73 4.56 0.00 1.66 1.65 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.64 4.39 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 31 T 7.91 3.97 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 1.23 0.00 0.00 32 A 8.45 4.12 1.32 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 0.00 0.00 33 S 7.66 4.04 0.00 3.85 3.90 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 34 V 7.93 3.89 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 0.92 0.00 0.00 0.92 0.00 0.00 35 L 7.88 4.01 0.00 1.69 1.64 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.22 4.70 0.00 2.68 2.89 0.00 0.00 6.81 8.90 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 37 R 7.56 4.04 0.00 2.00 2.09 0.00 3.20 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 38 S 7.93 4.57 0.00 3.83 3.79 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 39 Q 7.56 4.72 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.32 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 40 T 8.01 4.79 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 41 D 8.55 5.06 0.00 2.69 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 42 A 7.79 5.01 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 43 F 9.23 5.33 0.00 2.82 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 44 Y 8.87 5.05 0.00 3.11 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.37 4.56 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 46 Q 8.81 4.48 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 47 Y 9.00 5.03 0.00 2.80 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.57 4.61 0.00 1.74 1.63 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.23 7.81 49 N 8.78 4.71 0.00 2.74 2.75 0.00 0.00 6.29 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.84 4.13 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 0.00 0.00 0.00 51 T 8.23 3.47 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 52 A 7.63 4.45 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.16 4.67 0.42 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 0.00 0.00 54 S 8.63 4.66 0.00 3.35 3.66 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 55 E 8.68 3.88 0.00 1.98 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 2.23 1.88 0.00 56 P 0.00 4.47 0.00 1.85 1.87 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 57 T 8.17 4.89 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 58 P 0.00 3.87 0.00 1.85 1.85 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 59 I 7.71 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.10 0.91 0.00 0.00