NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.2385 8.1749 117.3178 63.5940 69.8400 172.7257 1G F 4.8032 7.9767 121.1591 55.5092 43.2167 172.7135 1F G 3.7618 9.0016 113.6380 45.8615 0.0000 172.2162 1E A 3.9602 8.5268 124.8641 50.5744 17.0148 178.1003 1D G 4.5010 7.3084 107.1535 45.5454 0.0000 173.0127 1C E 4.2706 8.9358 121.1970 56.1778 28.8643 178.3885 1B A 3.7844 8.2175 121.6534 54.4079 17.9303 179.6662 1A D 4.6664 7.8905 112.4837 55.7200 41.3323 176.8368 1 C 4.3448 7.8118 114.1889 58.4232 30.6322 173.9031 2 G 3.9040 8.7938 108.1001 46.3067 0.0000 173.4627 3 L 4.6189 7.4454 119.2851 52.2445 42.8256 176.6310 4 R 4.1387 8.4969 123.1739 55.4290 30.4117 175.7909 5 P 4.1430 0.0000 0.0000 66.4117 31.5791 177.9043 6 L 4.0347 7.7631 116.0205 56.1796 41.2264 177.1673 7 F 4.4909 7.4144 116.2145 58.5982 42.1630 176.8153 8 E 4.0706 9.3206 119.6999 59.8500 29.8360 180.2604 9 K 4.0061 8.0753 116.1598 59.1837 32.2810 178.0053 10 K 4.3113 7.8970 115.6814 56.1404 31.8662 176.3958 11 Q 3.7298 7.8750 116.3907 57.0190 26.3187 173.7847 12 V 4.5208 8.0646 110.3643 59.6707 35.0693 175.5951 13 Q 4.6066 8.6913 123.6565 54.9117 29.6980 175.8034 14 D 4.8635 8.2378 121.9934 52.7965 40.6575 176.2137 14A Q 4.1977 8.5879 117.4646 58.3927 28.5198 177.2568 14B T 4.5939 8.2908 107.7548 61.2484 69.4863 175.6584 14C E 3.7486 8.1983 125.7139 59.1107 30.1960 177.7533 14D K 4.5684 7.9975 116.1463 58.0273 33.3599 178.3800 14E E 3.8771 7.6628 120.5897 59.4076 29.7086 178.1908 14F L 3.7424 7.5812 118.4817 57.7005 41.3740 179.0437 14G F 4.4363 7.6440 117.1600 60.9071 38.9375 177.4815 14H E 4.0736 8.4799 118.4996 59.7138 29.1308 179.7700 14I S 4.1429 7.8432 112.6511 61.1985 63.1164 175.9958 14J Y 4.4773 7.2940 119.8799 61.0351 37.5732 177.8253 14K I 3.9537 7.8276 111.0003 63.1426 38.1460 176.4072 14L E 4.2032 8.0554 118.8555 57.0614 29.0804 176.7797 14M G 3.6624 7.4578 107.4350 42.0611 0.0000 173.9617 15 R 4.2176 8.0706 125.0207 55.6739 30.6790 176.1882 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 1H T 8.17 4.24 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1G F 7.98 4.80 0.00 3.08 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 1F G 9.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E A 8.53 3.96 1.36 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 0.00 0.00 1D G 7.31 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.94 4.27 0.00 2.11 2.05 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 2.38 2.28 0.00 1B A 8.22 3.78 1.36 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 0.00 0.00 1A D 7.89 4.67 0.00 2.69 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.81 4.34 0.00 3.18 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.79 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 0.00 0.00 0.00 3 L 7.45 4.62 0.00 1.62 1.66 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.50 4.14 0.00 2.38 2.12 0.00 3.22 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 5 P 0.00 4.14 0.00 2.18 2.10 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 6 L 7.76 4.03 0.00 1.26 1.03 0.81 0.72 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 7 F 7.41 4.49 0.00 3.02 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 8 E 9.32 4.07 0.00 2.37 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 2.41 2.42 0.00 9 K 8.08 4.01 0.00 1.97 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.50 7.81 10 K 7.90 4.31 0.00 1.68 1.75 0.00 1.77 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.49 7.81 11 Q 7.87 3.73 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 12 V 8.06 4.52 2.14 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 0.71 0.00 0.00 0.98 0.00 0.00 13 Q 8.69 4.61 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.04 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 14 D 8.24 4.86 0.00 2.41 1.90 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 14A Q 8.59 4.20 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.54 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 14B T 8.29 4.59 4.19 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 1.19 0.00 0.00 14C E 8.20 3.75 0.00 2.36 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.27 0.00 14D K 8.00 4.57 0.00 2.08 2.15 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.46 7.81 14E E 7.66 3.88 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 14F L 7.58 3.74 0.00 1.39 1.21 0.72 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 14G F 7.64 4.44 0.00 3.13 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 14H E 8.48 4.07 0.00 2.25 2.14 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 2.36 2.50 0.00 14I S 7.84 4.14 0.00 3.86 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 14J Y 7.29 4.48 0.00 3.24 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 14K I 7.83 3.95 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 1.00 0.00 0.00 14L E 8.06 4.20 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 14M G 7.46 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 0.00 0.00 0.00 15 R 8.07 4.22 0.00 1.94 2.14 0.00 3.45 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00