NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.3738 8.3601 120.5228 55.2770 42.8204 174.8739 2 A 2.5800 8.1550 124.2230 52.7002 15.2285 174.1515 3 E 4.4233 7.1940 115.5819 55.7783 31.4653 177.4385 4 F 4.7023 6.6109 108.8800 57.8626 39.9546 174.6357 5 R 4.6024 7.0858 123.3491 55.0270 27.0665 174.3323 6 H 4.4818 8.0054 118.9683 54.1582 31.6945 174.4820 7 D 4.4029 8.2365 118.9618 55.3061 39.7349 174.4660 8 S 4.1818 8.3493 114.0935 59.5149 63.1522 174.0806 9 G 4.3311 9.8284 112.5678 44.4987 0.0000 172.2882 10 Y 4.6410 6.9427 116.9184 56.8378 41.2766 173.0679 11 E 4.6374 8.7095 118.4256 55.8744 31.0906 175.5596 12 V 3.6819 8.2426 127.6432 64.9494 31.9469 176.6991 13 H 4.2271 8.1674 116.2265 56.4585 28.4077 173.9635 14 H 4.6534 7.6697 117.2801 55.2783 31.9856 173.8829 15 Q 4.4735 8.6695 131.2238 56.0074 28.6383 175.7655 16 F 4.6692 7.8879 120.4721 59.4156 42.2944 176.4349 17 L 3.9236 8.1060 119.8928 57.8887 41.4237 179.5576 18 V 3.5594 7.5209 117.0608 65.8116 30.9520 177.6180 19 F 4.0473 8.1480 121.3961 60.4948 39.0904 176.8328 20 F 4.1144 8.2431 119.8744 61.1872 39.2354 176.6592 21 A 3.9008 8.1707 120.6176 55.6146 17.9710 179.4977 22 E 4.1827 8.2451 118.2627 58.7238 29.1770 179.2113 23 D 4.1747 7.2404 116.5373 57.0610 41.5524 178.3094 24 V 3.5179 7.6384 117.6878 64.5502 31.9192 176.1025 25 G 4.1284 7.1280 105.7032 43.9804 0.0000 172.7124 26 S 4.6114 8.2652 115.9821 58.3651 63.5127 175.7509 27 N 4.4488 8.1922 120.9962 55.7552 37.2963 174.8756 28 K 4.0307 7.6266 121.3443 57.1693 32.0673 174.9337 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 2.62 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 2 A 8.15 2.58 1.02 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 3 E 7.19 4.42 0.00 2.03 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 2.32 2.34 0.00 4 F 6.61 4.70 0.00 3.14 3.17 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 5 R 7.09 4.60 0.00 1.56 1.77 0.00 3.25 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.47 0.00 6 H 8.01 4.48 0.00 3.25 3.34 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.24 4.40 0.00 2.86 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.18 0.00 3.94 3.99 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 0.00 0.00 0.00 0.00 9 G 9.83 4.33 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 0.00 10 Y 6.94 4.64 0.00 2.88 2.68 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 11 E 8.71 4.64 0.00 1.95 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 0.00 2.05 2.27 0.00 12 V 8.24 3.68 2.06 0.00 0.00 0.00 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 0.68 0.00 0.00 13 H 8.17 4.23 0.00 3.29 3.36 0.00 6.03 0.00 0.00 0.00 0.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.67 4.65 0.00 3.17 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.67 4.47 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 16 F 7.89 4.67 0.00 2.85 2.42 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 17 L 8.11 3.92 0.00 1.84 1.74 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.52 3.56 2.25 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 1.06 0.00 0.00 0.89 0.00 0.00 19 F 8.15 4.05 0.00 3.22 3.04 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 0.00 0.00 0.00 20 F 8.24 4.11 0.00 3.01 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 21 A 8.17 3.90 1.37 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 0.00 0.00 22 E 8.25 4.18 0.00 1.73 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 23 D 7.24 4.17 0.00 2.50 2.71 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 24 V 7.64 3.52 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 -0.67 0.00 0.00 25 G 7.13 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 26 S 8.27 4.61 0.00 3.83 3.85 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 27 N 8.19 4.45 0.00 2.84 3.05 0.00 0.00 5.63 6.43 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 28 K 7.63 4.03 0.00 1.80 1.72 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.33 7.81