NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4158 8.2393 119.7072 56.0630 31.2682 176.1849 2 M 4.3252 8.2673 129.1199 53.6438 30.9213 174.8354 3 K 3.9574 9.3680 120.2473 57.0200 33.6726 176.2040 4 K 4.5532 7.8961 118.0574 55.9346 36.0475 176.7006 5 K 4.3155 7.9907 118.3869 56.4465 33.0398 174.6253 6 D 4.9399 8.0438 130.1305 52.3122 39.4184 176.4816 7 E 4.3276 8.2974 116.1622 57.0056 29.9626 175.9868 8 G 4.0388 7.3912 106.3321 43.5185 0.0000 173.0455 9 S 4.1894 8.0199 121.0763 57.9306 63.1705 172.3368 10 Y 4.8314 7.6320 124.4207 57.9637 47.7592 174.7482 11 D 4.7563 7.6256 121.9794 52.1013 42.4488 175.1618 12 L 4.4398 7.4769 118.0596 55.0349 45.4507 172.3288 13 G 4.3284 8.7132 114.1542 46.5274 0.0000 173.8357 14 K 4.5011 7.8437 118.4790 54.6290 33.6424 175.9332 15 K 4.7440 8.0755 119.4335 53.6382 35.8268 174.5675 16 P 4.5888 0.0000 0.0000 63.2891 32.5566 176.9623 17 I 4.4782 7.6545 110.0518 60.3003 37.7824 174.5430 18 Y 3.8899 7.9258 121.5430 58.0448 39.5192 175.0411 19 K 4.9567 7.1049 133.7109 56.4373 33.2242 171.9822 20 K 4.5671 7.4340 122.5708 54.5032 36.0236 175.6369 21 A 4.5639 7.6970 120.4584 50.1343 18.9294 175.6765 22 P 4.5957 0.0000 0.0000 64.1218 32.7444 177.0947 23 T 4.0905 6.6072 112.0069 63.0486 72.7720 172.6305 24 N 5.0787 8.7410 110.8664 52.4028 39.0831 173.5493 25 E 4.7771 7.7953 117.6768 54.4209 33.6072 173.8213 26 F 4.5846 8.8289 124.2541 56.4950 41.4311 173.3506 27 Y 4.6061 8.3644 128.7162 55.8169 40.8346 175.0424 28 A 4.2830 7.9628 128.4005 53.0948 19.0903 175.7775 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 R 8.24 4.42 0.00 1.82 2.00 0.00 3.18 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 2 M 8.27 4.33 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 3 K 9.37 3.96 0.00 1.77 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.50 7.81 4 K 7.90 4.55 0.00 1.69 1.69 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.58 7.81 5 K 7.99 4.32 0.00 1.65 1.69 0.00 1.61 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.46 7.81 6 D 8.04 4.94 0.00 2.90 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 7 E 8.30 4.33 0.00 1.96 1.99 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 2.26 2.30 0.00 8 G 7.39 4.04 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 0.00 0.00 0.00 9 S 8.02 4.19 0.00 3.84 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 10 Y 7.63 4.83 0.00 3.04 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 11 D 7.63 4.76 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 4.44 0.00 1.62 1.51 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.71 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 14 K 7.84 4.50 0.00 1.77 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.45 7.81 15 K 8.08 4.74 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.40 7.81 16 P 0.00 4.59 0.00 2.24 2.10 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 17 I 7.65 4.48 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.36 0.98 0.00 0.00 18 Y 7.93 3.89 0.00 2.99 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 19 K 7.10 4.96 0.00 1.79 1.70 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.25 7.81 20 K 7.43 4.57 0.00 1.48 1.49 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.29 7.81 21 A 7.70 4.56 1.22 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 0.00 0.00 22 P 0.00 4.60 0.00 2.15 2.12 0.00 3.74 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 23 T 6.61 4.09 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 24 N 8.74 5.08 0.00 2.65 2.69 0.00 0.00 6.53 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.80 4.78 0.00 1.94 1.79 0.00 0.00 0.00 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 2.36 0.00 26 F 8.83 4.58 0.00 3.12 2.85 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 Y 8.36 4.61 0.00 3.07 2.87 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 28 A 7.96 4.28 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00