NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.0544 8.1749 110.8535 60.3852 67.8237 171.2686 1G F 4.3060 7.9407 121.8753 56.8686 43.7004 172.3006 1F G 3.9105 9.4444 117.6266 46.7285 0.0000 172.4995 1E A 5.0694 8.8568 135.0000 50.9546 16.4387 177.1012 1D G 4.8613 6.3617 118.0822 45.9827 0.0000 172.1628 1C E 4.1723 8.6422 125.4250 56.3420 29.5654 177.4587 1B A 4.2432 8.1987 127.5795 52.5716 17.3914 179.9780 1A D 4.7870 7.6191 112.7573 54.4778 42.1476 176.6809 1 C 4.1779 7.9874 114.2571 59.2177 30.1037 173.8880 2 G 3.8351 8.8679 108.9923 45.9444 0.0000 173.3313 3 L 4.5926 7.3835 118.5352 52.4950 42.6869 176.4212 4 R 4.2183 8.8253 124.4910 55.1324 29.4192 175.9594 5 P 4.2467 0.0000 0.0000 65.8669 31.4382 178.6853 6 L 3.9686 7.9132 115.3651 56.4639 41.2546 176.3651 7 F 5.2327 7.1909 114.4614 58.0651 42.2838 177.3528 8 E 3.9176 8.2663 120.1489 59.6650 30.1518 179.8995 9 K 4.0555 8.0299 117.4984 58.9725 32.1379 178.0285 10 K 4.2238 7.4767 115.1473 55.8481 32.2884 176.4939 11 Q 3.5001 7.6317 116.4593 56.8460 27.1768 173.3498 12 V 4.3976 8.5735 117.9521 61.0453 33.4850 174.8526 13 Q 4.7090 8.5730 126.1713 55.3854 29.5669 175.6352 14 D 4.8282 9.2550 121.9294 52.2929 41.2145 176.3834 14A Q 4.1376 8.6007 117.4914 58.4869 28.8740 177.3509 14B T 4.4453 7.8115 105.2481 60.9724 70.4652 175.2934 14C E 3.9613 8.4756 124.4124 59.8085 29.5144 178.9781 14D K 4.1213 8.0692 117.6969 59.7894 32.4718 178.4890 14E E 4.1051 8.5469 121.1697 58.9387 29.0595 178.5404 14F L 3.6613 7.8580 119.1723 57.0197 41.7270 179.3027 14G F 3.4079 8.0128 117.4489 60.2838 39.1646 177.2818 14H E 4.0070 8.2442 118.4692 59.5580 28.9878 179.7016 14I S 4.0831 7.1025 112.9452 61.3773 63.2906 176.1057 14J Y 4.4641 6.8655 119.2820 60.9685 37.4194 178.0951 14K I 3.7841 7.8933 114.0320 64.2636 37.3402 177.8686 14L E 4.1892 8.0785 118.5635 58.3493 29.4088 178.9693 14M G 3.6513 7.6290 105.6192 45.7771 0.0000 173.4266 15 R 4.2380 7.5361 124.6354 56.4305 31.7196 175.3475 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 4.05 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 1.06 0.00 0.00 1G F 7.94 4.31 0.00 3.13 2.90 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 1F G 9.44 3.91 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 0.00 0.00 0.00 1E A 8.86 5.07 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 1D G 6.36 4.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1C E 8.64 4.17 0.00 2.13 2.13 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 2.40 2.31 0.00 1B A 8.20 4.24 1.43 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 0.00 0.00 1A D 7.62 4.79 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.18 0.00 3.11 2.99 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 2 G 8.87 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 0.00 0.00 0.00 3 L 7.38 4.59 0.00 1.69 1.65 0.98 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.83 4.22 0.00 2.23 2.07 0.00 3.27 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 5 P 0.00 4.25 0.00 2.18 2.12 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 6 L 7.91 3.97 0.00 1.49 1.09 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.19 5.23 0.00 3.09 2.99 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 8 E 8.27 3.92 0.00 2.14 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 2.45 2.44 0.00 9 K 8.03 4.06 0.00 2.07 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.50 1.44 7.81 10 K 7.48 4.22 0.00 1.96 1.78 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.36 7.81 11 Q 7.63 3.50 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 12 V 8.57 4.40 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 1.05 0.00 0.00 0.94 0.00 0.00 13 Q 8.57 4.71 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 14 D 9.25 4.83 0.00 2.34 1.62 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.14 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 14B T 7.81 4.45 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 14C E 8.48 3.96 0.00 2.19 2.01 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 2.33 2.39 0.00 14D K 8.07 4.12 0.00 1.99 2.05 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.44 7.81 14E E 8.55 4.11 0.00 2.00 2.27 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 2.24 2.30 0.00 14F L 7.86 3.66 0.00 1.54 1.10 0.94 1.04 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 14G F 8.01 3.41 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.01 0.00 1.96 1.98 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 2.34 2.45 0.00 14I S 7.10 4.08 0.00 4.03 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 14J Y 6.87 4.46 0.00 3.08 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14K I 7.89 3.78 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.84 1.06 0.00 0.00 14L E 8.08 4.19 0.00 2.00 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 2.34 2.59 0.00 14M G 7.63 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 4.24 0.00 1.96 2.07 0.00 3.47 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00