NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4555 8.3049 120.3264 54.8813 33.4261 175.2068 2 K 4.0961 8.4325 121.8035 55.7658 32.9530 174.9095 3 I 4.5584 7.7713 121.8699 59.2254 40.6797 175.8489 4 S 4.1421 8.9574 120.3806 60.9631 63.0342 174.9048 5 G 3.7559 8.1168 109.5144 45.9954 0.0000 173.3197 6 R 3.9962 8.6104 124.5583 58.0035 30.7459 176.2023 7 N 4.8178 8.0929 116.4364 51.6685 40.0651 174.2974 8 K 4.9299 8.6095 123.4186 54.4081 35.1101 175.6322 9 L 4.3832 8.7444 125.2810 52.6114 44.5597 175.8667 10 E 4.7769 9.1802 124.3853 56.2607 29.8292 175.6478 11 A 5.1721 9.2572 126.8849 50.2923 23.5225 174.1047 12 T 5.0390 8.5141 113.9240 61.6921 72.2777 174.4583 13 V 4.0388 8.9242 127.0740 63.4539 32.1551 176.0868 14 K 4.2730 9.3468 127.7276 58.0917 33.2269 176.6356 15 E 4.8411 7.8359 117.0726 54.9921 34.3998 174.0737 16 I 4.9872 8.2570 121.7149 59.6099 40.8152 174.8406 17 V 4.3337 8.6780 126.8811 61.0663 33.7757 174.1593 18 K 4.6425 8.7977 127.7804 55.2124 33.3660 176.5812 19 G 4.2607 8.5475 116.4752 44.5372 0.0000 172.8662 20 T 4.0915 8.5171 114.8666 65.7390 69.1281 175.2934 21 V 4.2611 7.8917 119.0496 64.0194 34.3745 175.5884 22 M 5.1646 7.9728 118.1121 53.6830 35.2287 174.8399 23 A 5.0941 9.0544 121.6294 50.1684 23.1391 174.9653 24 K 4.6784 9.1121 123.8128 55.3282 34.0399 175.3220 25 I 4.6491 8.9747 129.2543 59.7241 39.3949 174.7034 26 V 4.5689 8.6709 128.7985 61.9097 32.9461 174.8049 27 M 5.3124 9.2441 127.0055 53.5753 36.7045 173.6402 28 D 5.3131 9.0941 120.4419 52.8258 44.0374 174.3851 29 Y 4.8470 9.2681 127.0692 55.4925 40.9540 175.1301 30 K 3.7429 9.5246 127.9289 57.0687 29.8801 176.6810 31 G 3.9768 8.4209 107.0036 45.3268 0.0000 174.4360 32 T 4.4829 7.9859 117.5070 61.9296 69.9954 173.2618 33 E 4.7574 8.6396 126.8915 55.7930 30.6029 175.4077 34 L 4.9283 9.0666 126.5933 52.9724 45.4232 175.6581 35 V 4.8689 8.2819 120.2912 61.2957 34.3031 174.2096 36 A 4.8405 9.1301 129.7216 50.0027 21.9624 174.8609 37 A 5.2031 8.6559 123.4962 50.3512 20.8684 175.3907 38 I 4.7653 8.3330 115.1485 59.4673 41.9076 175.2229 39 T 4.5694 8.2884 111.7212 60.9630 69.7206 175.7737 40 I 3.7720 8.4800 117.4737 64.1559 37.3201 178.1989 41 D 4.3680 7.5613 118.5654 57.5888 40.5678 178.9886 42 S 4.1125 7.8845 115.0862 61.3458 62.7697 176.8050 43 V 3.5616 7.7234 120.3894 65.9079 31.1723 177.8349 44 A 3.9458 7.9997 120.4333 55.1399 18.0428 179.0913 45 D 4.2730 8.0779 115.4711 57.5598 41.5072 178.0873 46 L 4.1288 8.1736 117.0710 54.6099 42.4257 176.0794 47 D 4.3914 7.6658 117.7518 54.8815 40.0672 173.8688 48 L 4.3656 7.7737 117.7443 54.9912 42.6330 177.6973 49 V 4.5596 8.7831 115.2520 58.6892 35.8843 172.9748 50 P 4.5174 0.0000 0.0000 64.6442 31.4872 177.0572 51 G 4.0285 9.1196 111.7667 45.0439 0.0000 173.6469 52 D 4.5303 7.9414 120.5884 54.3367 42.0284 175.6702 53 K 4.7872 8.5655 122.4694 56.0325 33.1881 176.4679 54 V 4.6207 9.0058 117.5379 60.1940 37.0207 174.0768 55 T 5.0408 8.3604 117.4634 61.8162 70.4688 174.2887 56 A 4.2961 9.0983 129.6867 51.3983 19.9523 175.7278 57 L 5.1691 8.4393 123.7193 53.1690 45.1114 175.7386 58 V 4.4589 8.6379 125.2747 60.7137 35.0596 174.6825 59 K 4.2698 8.6981 128.4803 55.8925 33.0151 177.2295 60 A 3.9668 8.7795 128.5898 55.6472 18.3436 179.2565 61 T 4.1799 7.8400 102.8709 63.0785 69.2145 174.7435 62 E 4.4954 8.1771 121.2548 56.1452 29.8521 174.8227 63 M 4.4989 7.6198 119.7398 53.7581 33.4689 175.5060 64 E 4.4763 8.5352 125.5662 55.2239 31.2854 175.5663 65 V 4.4186 8.0613 119.1738 61.0211 34.0217 174.6332 66 L 4.8374 8.4199 126.1389 52.8989 44.3800 176.3166 67 K 4.1323 8.3305 121.9467 56.7668 32.4059 175.7255 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 M 8.30 4.46 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.43 4.10 0.00 1.82 1.73 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 I 7.77 4.56 1.86 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 1.46 0.75 0.92 0.00 0.00 4 S 8.96 4.14 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.12 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.61 4.00 0.00 1.80 1.99 0.00 3.35 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 7 N 8.09 4.82 0.00 2.78 2.69 0.00 0.00 6.61 7.87 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 8 K 8.61 4.93 0.00 1.55 1.67 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.46 7.81 9 L 8.74 4.38 0.00 1.15 0.36 0.59 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.18 4.78 0.00 2.00 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 2.35 2.38 0.00 11 A 9.26 5.17 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 5.04 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 13 V 8.92 4.04 2.23 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 0.74 0.00 0.00 0.94 0.00 0.00 14 K 9.35 4.27 0.00 1.73 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 15 E 7.84 4.84 0.00 1.87 1.77 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 2.30 2.34 0.00 16 I 8.26 4.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.91 0.00 0.00 17 V 8.68 4.33 2.08 0.00 0.00 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 0.93 0.00 0.00 18 K 8.80 4.64 0.00 1.67 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 19 G 8.55 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.52 4.09 4.24 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 1.21 0.00 0.00 21 V 7.89 4.26 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.93 0.00 0.00 22 M 7.97 5.16 0.00 1.96 1.94 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 2.60 2.46 0.00 23 A 9.05 5.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.11 4.68 0.00 1.82 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.41 7.81 25 I 8.97 4.65 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.92 0.00 0.00 26 V 8.67 4.57 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 0.96 0.00 0.00 0.94 0.00 0.00 27 M 9.24 5.31 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 28 D 9.09 5.31 0.00 2.68 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 9.27 4.85 0.00 3.02 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 30 K 9.52 3.74 0.00 1.43 1.58 0.00 1.20 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.95 0.22 7.81 31 G 8.42 3.98 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 0.00 0.00 0.00 32 T 7.99 4.48 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 E 8.64 4.76 0.00 1.99 1.86 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 2.29 2.49 0.00 34 L 9.07 4.93 0.00 1.57 1.51 0.86 0.63 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 35 V 8.28 4.87 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 36 A 9.13 4.84 1.21 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 0.00 0.00 37 A 8.66 5.20 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 38 I 8.33 4.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.00 0.91 0.00 0.00 39 T 8.29 4.57 4.37 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 1.21 0.00 0.00 40 I 8.48 3.77 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.64 0.99 0.00 0.00 41 D 7.56 4.37 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.88 4.11 0.00 4.04 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 43 V 7.72 3.56 2.24 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 1.05 0.00 0.00 0.93 0.00 0.00 44 A 8.00 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.08 4.27 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.17 4.13 0.00 1.77 1.70 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.67 4.39 0.00 2.70 2.68 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 48 L 7.77 4.37 0.00 1.70 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.78 4.56 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 50 P 0.00 4.52 0.00 2.04 2.21 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 G 9.12 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.94 4.53 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.57 4.79 0.00 1.65 1.76 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 V 9.01 4.62 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 0.75 0.00 0.00 1.00 0.00 0.00 55 T 8.36 5.04 4.24 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 1.19 0.00 0.00 56 A 9.10 4.30 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.44 5.17 0.00 1.58 1.49 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.64 4.46 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 0.86 0.00 0.00 0.89 0.00 0.00 59 K 8.70 4.27 0.00 1.82 1.64 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.43 7.81 60 A 8.78 3.97 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 61 T 7.84 4.18 4.24 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 1.21 0.00 0.00 62 E 8.18 4.50 0.00 2.05 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 2.24 2.20 0.00 63 M 7.62 4.50 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 64 E 8.54 4.48 0.00 1.99 1.86 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 2.26 2.28 0.00 65 V 8.06 4.42 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 66 L 8.42 4.84 0.00 1.63 1.53 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.33 4.13 0.00 1.64 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81