NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 3.9855 8.1749 110.8827 61.0579 70.8116 172.9082 1G F 3.9629 6.2687 131.6973 56.5632 38.7312 173.7176 1F G 3.7692 8.9370 118.4268 44.8584 0.0000 171.3273 1E A 4.5965 8.4663 119.7839 50.1401 21.3184 177.9721 1D G 3.7461 8.7899 112.3960 47.4714 0.0000 174.2548 1C E 4.2069 8.0889 118.7875 55.0930 30.4607 177.2292 1B A 3.9797 8.2362 119.3590 52.5394 17.6363 177.6355 1A D 4.8330 7.7623 113.6994 54.3058 43.1983 175.9935 1 C 4.0160 8.0718 113.2184 59.6533 29.7221 174.1317 2 G 3.8173 8.7960 108.8007 45.9693 0.0000 173.6660 3 L 4.5135 7.2974 120.1819 52.5231 41.6708 175.9809 4 R 4.1539 8.8127 123.9581 55.2741 30.5632 176.2301 5 P 4.2301 0.0000 0.0000 65.7949 31.3612 177.4296 6 L 4.0741 7.7857 114.3575 55.3751 42.2720 176.5980 7 F 4.8368 7.9197 114.3355 56.5830 41.3565 176.5128 8 E 4.0128 9.1737 126.0219 60.0133 30.1900 178.9712 9 K 4.1809 8.0673 116.1884 58.0169 32.4668 177.6394 10 K 4.4262 8.1266 116.6818 55.1611 32.3933 175.8281 11 Q 3.4383 7.8482 116.0687 57.0839 26.3358 173.5672 12 V 4.4643 7.5634 115.0080 61.1136 34.0849 173.8920 13 Q 4.8750 8.5035 124.9421 54.1147 30.8861 175.2512 14 D 4.7767 9.0077 121.2805 52.3860 40.6607 177.2762 14A Q 3.9744 8.7290 119.5684 58.9738 28.8687 178.4851 14B T 4.5378 7.8029 104.9730 60.9222 69.4104 175.2940 14C E 3.8934 8.0766 125.3060 59.4612 29.3298 178.9486 14D K 4.1045 8.0196 118.5774 59.7498 32.4943 178.6065 14E E 3.8813 8.2648 120.7833 59.0440 29.2849 178.8726 14F L 3.7070 7.6483 117.6522 57.5632 42.0685 178.7065 14G F 4.1778 7.9284 120.2530 61.2165 39.1562 176.5982 14H E 3.9128 8.2409 118.1546 59.2818 29.5312 178.4360 14I S 4.2639 7.2888 111.2551 59.2694 63.4471 174.1938 14J Y 4.2517 8.1389 122.0874 57.0745 37.9669 179.7287 14K I 3.1711 8.6145 124.9062 62.2738 37.6780 174.4462 14L E 4.6386 8.5796 120.2451 57.3115 31.6521 176.0136 14M G 3.8037 8.4059 103.5141 45.5639 0.0000 174.3560 15 R 4.0894 7.6683 125.3305 57.0247 31.2552 173.8076 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 3.99 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 0.91 0.00 0.00 1G F 6.27 3.96 0.00 3.19 3.10 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 0.00 0.00 0.00 1F G 8.94 3.77 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 0.00 0.00 0.00 1E A 8.47 4.60 1.30 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 0.00 0.00 1D G 8.79 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 0.00 0.00 0.00 1C E 8.09 4.21 0.00 2.01 2.02 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 2.31 2.29 0.00 1B A 8.24 3.98 1.42 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 1A D 7.76 4.83 0.00 2.77 2.80 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 0.00 0.00 0.00 1 C 8.07 4.02 0.00 3.12 2.95 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 2 G 8.80 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.30 4.51 0.00 1.84 1.67 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.81 4.15 0.00 2.27 2.14 0.00 3.23 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 5 P 0.00 4.23 0.00 2.04 2.14 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 6 L 7.79 4.07 0.00 1.41 0.81 0.81 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.92 4.84 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 9.17 4.01 0.00 2.00 2.09 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 2.37 2.47 0.00 9 K 8.07 4.18 0.00 1.95 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.49 7.81 10 K 8.13 4.43 0.00 1.62 1.73 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.32 7.81 11 Q 7.85 3.44 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 12 V 7.56 4.46 2.19 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 1.07 0.00 0.00 0.90 0.00 0.00 13 Q 8.50 4.88 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 14 D 9.01 4.78 0.00 2.57 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 0.00 0.00 0.00 14A Q 8.73 3.97 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.14 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 14B T 7.80 4.54 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 8.08 3.89 0.00 2.35 1.97 0.00 0.00 0.00 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 2.28 0.00 14D K 8.02 4.10 0.00 2.05 2.06 0.00 1.56 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 14E E 8.26 3.88 0.00 2.05 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 2.25 2.31 0.00 14F L 7.65 3.71 0.00 1.74 1.47 0.90 0.70 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 7.93 4.18 0.00 3.22 3.25 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 14H E 8.24 3.91 0.00 2.09 2.16 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 2.29 2.32 0.00 14I S 7.29 4.26 0.00 3.91 3.82 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 0.00 0.00 0.00 14J Y 8.14 4.25 0.00 2.78 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 14K I 8.61 3.17 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.16 0.89 0.00 0.00 14L E 8.58 4.64 0.00 1.95 1.78 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 2.20 2.27 0.00 14M G 8.41 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.67 4.09 0.00 1.75 1.75 0.00 3.34 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 1.41 1.46 0.00