NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.1581 8.1749 117.3496 61.9161 71.5451 176.5530 1G F 5.2139 7.2160 127.1673 56.3607 41.4350 173.2077 1F G 3.6959 9.6476 115.8855 47.5942 0.0000 171.4693 1E S 4.3581 7.8631 128.2167 54.3934 62.1427 172.0948 1D G 4.1125 8.1860 108.4071 43.9106 0.0000 174.3800 1C E 3.7845 9.0151 122.9191 60.1974 29.3313 175.8740 1B A 4.1089 7.6958 122.0943 52.3068 14.9705 177.5607 1A D 4.8602 8.1250 112.4773 53.6935 41.4794 176.1057 1 C 4.1060 7.8772 112.9839 59.4625 29.8408 174.6725 2 G 3.8481 8.6726 107.4981 45.9762 0.0000 173.4676 3 L 4.5415 7.3397 119.5327 52.6348 42.3943 176.4785 4 R 4.1962 9.0106 124.6410 55.1857 30.7053 176.0060 5 P 4.2285 0.0000 0.0000 65.8337 31.3236 177.2864 6 L 4.1629 7.8054 113.7205 55.0392 42.2091 176.6670 7 F 4.6043 7.9446 115.0874 57.6894 41.6488 176.6541 8 E 4.0255 9.2045 122.4870 60.1177 30.1467 180.0406 9 K 4.0674 8.1743 115.5945 58.5145 32.1599 177.6536 10 K 4.3839 7.9848 116.1093 55.2330 32.7391 175.7144 11 S 3.7875 7.8704 112.3518 59.4612 61.1310 171.1775 12 L 4.8329 7.8869 116.6315 52.6077 43.9314 175.9453 13 E 4.9298 8.5854 121.2746 54.6118 31.7044 175.6482 14 D 4.8375 8.7480 122.0144 51.9122 40.6894 177.6851 14A K 4.0535 8.5312 118.6864 59.2416 32.8791 177.6128 14B T 4.5914 7.6491 108.5754 60.4462 69.7557 175.4579 14C E 3.9218 8.5525 123.2536 59.7271 29.3785 178.8983 14D R 3.8282 7.9800 119.2669 59.2050 29.7905 177.7855 14E E 3.8735 7.6817 118.2042 59.1727 29.8178 178.6177 14F L 3.7897 7.6190 118.8431 57.7868 41.7320 179.3911 14G L 3.5337 7.5179 118.1482 57.8556 41.3549 179.3731 14H E 4.0387 8.2801 117.9352 58.5187 29.4648 178.5998 14I S 4.3749 7.5519 112.8343 59.3314 64.6396 174.8805 14J Y 4.6467 7.2608 123.8314 58.9069 34.1630 175.2278 14K I 3.1521 8.5388 106.5282 61.3872 37.5865 175.4762 14L D 4.9209 7.8277 114.4663 54.6690 40.1685 174.2456 14M G 4.2016 8.1444 106.4070 43.4537 0.0000 173.0336 15 R 4.1369 8.5348 121.9764 56.9377 30.3419 174.3235 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 4.16 3.94 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 -0.09 0.00 0.00 1G F 7.22 5.21 0.00 3.06 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 1F G 9.65 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.36 0.00 4.03 4.07 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 0.00 0.00 0.00 1D G 8.19 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 0.00 0.00 0.00 0.00 1C E 9.02 3.78 0.00 1.88 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 2.25 2.27 0.00 1B A 7.70 4.11 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.86 0.00 2.62 2.62 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 1 C 7.88 4.11 0.00 3.14 3.05 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 0.00 0.00 0.00 2 G 8.67 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 3 L 7.34 4.54 0.00 1.77 1.65 0.99 0.82 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 4 R 9.01 4.20 0.00 2.21 2.08 0.00 3.18 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 5 P 0.00 4.23 0.00 2.04 2.14 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 6 L 7.81 4.16 0.00 1.49 1.04 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.94 4.60 0.00 3.06 2.91 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 8 E 9.20 4.03 0.00 2.13 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 2.45 2.48 0.00 9 K 8.17 4.07 0.00 1.93 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.43 7.81 10 K 7.98 4.38 0.00 1.62 1.75 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81 11 S 7.87 3.79 0.00 4.02 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 12 L 7.89 4.83 0.00 1.57 1.55 0.78 0.93 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 13 E 8.59 4.93 0.00 1.98 1.87 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 2.26 2.30 0.00 14 D 8.75 4.84 0.00 2.55 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 0.00 0.00 0.00 14A K 8.53 4.05 0.00 1.88 2.01 0.00 1.52 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 14B T 7.65 4.59 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 14C E 8.55 3.92 0.00 2.17 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.28 0.00 14D R 7.98 3.83 0.00 1.87 1.94 0.00 3.17 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 14E E 7.68 3.87 0.00 1.98 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 2.30 0.00 14F L 7.62 3.79 0.00 1.85 1.40 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14G L 7.52 3.53 0.00 1.54 1.67 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.28 4.04 0.00 1.97 1.95 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 2.30 2.43 0.00 14I S 7.55 4.37 0.00 4.00 3.88 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 0.00 0.00 0.00 14J Y 7.26 4.65 0.00 2.95 2.81 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 14K I 8.54 3.15 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.49 0.95 0.00 0.00 14L D 7.83 4.92 0.00 3.04 2.92 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 0.00 0.00 0.00 14M G 8.14 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.14 0.00 1.77 1.74 0.00 3.30 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 1.55 1.57 0.00