NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.6010 8.1593 117.4068 63.7490 70.8002 171.6946 1G F 4.4434 7.9782 124.7072 56.8682 42.4555 172.8001 1F G 3.8521 10.9205 106.0379 43.8280 0.0000 175.6969 1E S 4.3133 8.6581 117.5952 58.4756 65.4641 175.2136 1D G 3.8853 8.4869 118.6353 47.1532 0.0000 176.6064 1C E 4.2930 8.6064 120.3034 54.6185 28.1952 175.3657 1B A 4.1164 8.1164 127.0812 54.6690 18.9983 178.5292 1A D 4.7943 7.8881 114.2372 53.7036 39.8357 176.4586 1 C 4.2352 7.8549 114.5629 59.9487 30.1408 174.9485 2 G 3.8719 8.6122 107.5772 45.9218 0.0000 173.7627 3 L 4.4191 7.3531 119.6963 52.8362 41.5144 176.4150 4 R 4.1505 8.6803 124.3588 55.2244 30.3094 176.6812 5 P 4.2473 0.0000 0.0000 64.9750 31.4574 176.8474 6 L 4.3227 7.9107 117.0272 54.9624 42.0869 175.9143 7 F 4.6068 7.1884 114.0874 59.0814 42.6320 176.3150 8 E 4.0252 8.6330 119.6771 59.9152 29.8810 179.9622 9 K 4.1049 8.1143 116.0386 58.4783 32.1172 177.7841 10 K 4.4597 7.5222 115.5705 55.2856 33.5522 175.8912 11 S 3.7767 8.1110 113.1790 60.1888 60.3257 171.5451 12 L 4.9302 8.3040 118.4085 52.9260 44.9165 176.6646 13 E 5.3893 8.8198 118.9518 53.1987 32.9032 175.7715 14 D 4.6385 8.8296 123.3511 53.2593 40.0540 177.2147 14A K 4.0568 8.4178 121.1557 60.2989 32.4781 177.7592 14B T 4.1405 7.7712 106.8749 62.3545 69.9675 175.7894 14C E 3.7850 8.4221 124.3632 59.8435 29.4640 178.3791 14D R 3.7874 8.0374 117.7994 59.6333 29.7159 177.4334 14E E 3.8437 7.7795 117.6825 59.4222 29.2536 178.7166 14F L 3.9255 7.6898 118.5535 57.8478 41.7618 179.2833 14G L 3.2143 7.4990 118.1437 57.6579 41.2404 179.4097 14H E 3.8723 7.8122 117.7112 59.3951 29.5241 179.0273 14I S 4.2888 7.2424 111.8266 61.8573 62.9082 175.8844 14J Y 4.6651 7.7115 118.6063 59.1998 37.8387 176.7535 14K I 4.4561 7.6657 121.8861 59.8885 40.1091 174.1541 14L D 4.9848 8.4529 124.0301 51.4403 44.2822 175.5374 14M G 3.6770 7.9906 112.3061 46.6425 0.0000 174.0906 15 R 4.1713 8.1548 119.9486 55.9538 29.4595 175.6706 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 8.16 4.60 4.30 0.00 0.00 0.00 0.00 0.00 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 1G F 7.98 4.44 0.00 3.22 2.43 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 0.00 0.00 0.00 0.00 1F G 10.92 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 0.00 0.00 0.00 1E S 8.66 4.31 0.00 3.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.61 4.29 0.00 1.94 1.92 0.00 0.00 0.00 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 2.35 0.00 1B A 8.12 4.12 1.24 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 0.00 0.00 0.00 1A D 7.89 4.79 0.00 2.79 2.75 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 1 C 7.85 4.24 0.00 3.16 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.61 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.35 4.42 0.00 1.77 1.67 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.68 4.15 0.00 2.15 2.01 0.00 3.10 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 5 P 0.00 4.25 0.00 2.06 2.14 0.00 3.72 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 6 L 7.91 4.32 0.00 1.64 1.59 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.19 4.61 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.63 4.03 0.00 2.13 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 2.44 2.46 0.00 9 K 8.11 4.10 0.00 1.92 1.88 0.00 1.55 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.47 7.81 10 K 7.52 4.46 0.00 1.62 1.71 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.53 7.81 11 S 8.11 3.78 0.00 4.03 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 4.93 0.00 1.46 1.52 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.82 5.39 0.00 1.94 1.91 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 2.36 2.28 0.00 14 D 8.83 4.64 0.00 2.76 2.30 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.42 4.06 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.52 7.81 14B T 7.77 4.14 4.21 0.00 0.00 0.00 0.00 0.00 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 8.42 3.78 0.00 2.30 2.03 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 2.26 2.28 0.00 14D R 8.04 3.79 0.00 1.92 1.89 0.00 3.24 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 14E E 7.78 3.84 0.00 1.95 2.10 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 2.28 2.33 0.00 14F L 7.69 3.93 0.00 1.63 1.47 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.50 3.21 0.00 1.60 1.57 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14H E 7.81 3.87 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 14I S 7.24 4.29 0.00 4.13 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 14J Y 7.71 4.67 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.46 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.94 0.00 0.00 14L D 8.45 4.98 0.00 2.80 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 14M G 7.99 3.68 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 0.00 0.00 0.00 15 R 8.15 4.17 0.00 1.87 1.84 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00