NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.5595 8.4244 119.2054 52.6395 40.8322 173.7838 11 V 4.0840 7.5052 117.7958 60.1900 32.2853 173.5034 12 Q 4.1980 9.2181 128.3888 55.4709 30.4765 176.0192 13 R 4.0308 8.4589 120.3569 55.4627 32.1573 175.9442 14 P 4.1692 0.0000 0.0000 66.3176 31.2403 178.9969 15 L 4.0409 7.8203 115.4294 57.2795 41.8426 178.8282 16 D 4.6089 8.0570 118.6617 57.0207 41.1414 178.2609 17 A 4.2716 8.3508 123.0387 54.4996 18.3256 179.1961 18 L 3.8517 7.9988 118.9960 58.3084 41.7926 179.4541 19 G 3.9501 8.2670 105.2645 47.4042 0.0000 175.0859 20 N 4.5918 8.2297 117.5570 55.2655 38.8359 175.8237 21 S 4.6390 7.8584 115.7004 57.9405 63.3541 173.9159 22 L 4.2646 7.4870 121.6907 56.2768 41.6629 176.9460 23 N 4.3974 9.5320 119.3784 53.8419 36.8753 173.9996 24 S 5.0572 7.7440 114.5652 55.7644 66.6160 171.8606 25 P 5.0159 0.0000 0.0000 63.2023 32.7655 175.4848 26 V 5.0232 9.1482 114.5396 60.0795 37.0667 173.9191 27 I 4.9473 9.0847 122.5431 59.6877 40.2019 175.0184 28 I 4.7510 9.0489 127.7213 59.3530 39.8836 174.4949 29 K 4.3185 8.3481 129.9991 55.5064 33.1702 176.0481 30 L 5.0222 8.1759 126.5304 52.5632 45.0884 175.8349 31 K 4.0524 8.5894 120.7535 59.0962 30.6792 177.3551 32 G 4.0459 9.7742 113.7181 44.9445 0.0000 173.0819 33 D 4.5056 7.7737 116.9773 55.1304 39.0910 173.8904 34 R 4.4431 7.0460 119.7244 55.8480 32.5577 174.0260 35 E 5.1595 8.2214 118.2628 55.4306 33.5599 173.9939 36 F 5.1760 9.3161 122.8889 55.7869 43.5333 174.2765 37 R 5.1055 9.4252 119.4304 53.8988 34.7063 175.1294 38 G 4.1399 7.9485 109.0309 46.4932 0.0000 170.9727 39 V 4.6581 7.7645 120.2781 61.3871 32.8954 175.0705 40 L 4.2616 8.7335 131.2347 55.6316 42.2765 177.1026 41 K 4.4663 9.0558 126.5248 57.9936 34.1400 176.3412 42 S 4.7324 7.7633 112.1462 58.0759 66.0425 173.7636 43 F 5.5182 8.0241 114.1941 57.4375 40.4712 171.9908 44 D 4.8486 8.4444 117.6793 51.2515 42.4039 176.0809 45 L 4.0114 8.4805 117.9291 57.8422 41.6339 178.0606 46 H 4.5214 8.5947 114.6853 55.8129 28.9897 176.0534 47 M 3.4374 8.3736 118.4771 55.7183 31.3804 176.0238 48 N 4.8253 8.1746 114.3097 53.6243 39.9985 173.8776 49 L 5.3137 9.2072 121.4069 53.0245 46.8151 175.4574 50 V 4.8484 8.6190 120.9653 61.2097 34.2174 174.4352 51 L 5.3188 8.7858 127.0749 53.1059 45.3818 175.1714 52 N 5.2234 8.9711 118.4603 51.6189 41.9627 174.2041 53 D 4.6076 8.4480 118.0183 55.4329 38.7493 173.7437 54 A 4.9089 7.9158 119.7964 51.3523 21.3569 177.4856 55 E 4.9371 9.0104 120.3833 54.3929 33.3794 173.8205 56 E 3.7849 8.6956 128.0643 54.3918 31.4365 174.5934 57 L 5.1979 8.4898 126.5230 53.0182 45.8260 175.1545 58 E 4.6346 8.6951 121.7572 55.3885 33.3037 174.9986 59 D 4.4880 9.8201 125.7162 55.4676 38.4634 174.8950 60 G 3.9212 8.4774 105.5262 45.4902 0.0000 173.7253 61 E 4.5248 7.9341 120.4636 53.8097 31.2534 175.6487 62 V 3.9031 8.4481 124.0821 63.6987 31.7602 175.2544 63 T 4.5231 8.6146 117.1014 61.9551 70.5229 174.3419 64 R 4.5090 7.5412 120.4625 55.4495 33.6743 173.5531 65 R 4.7767 8.6393 124.1044 54.7285 31.2784 175.5354 66 L 4.5455 8.8461 123.7561 52.2052 42.8322 178.7623 67 G 3.7888 8.1775 111.7909 47.2459 0.0000 175.9780 68 T 5.0403 8.5870 119.7988 62.4325 69.4192 173.1798 69 V 4.5243 8.6722 124.3252 60.0695 35.4277 173.3542 70 L 5.0524 8.4547 124.6152 53.5933 43.7450 175.1979 71 I 4.3648 8.6076 127.5013 59.2099 40.1642 175.1117 72 R 4.2954 8.5108 127.4311 55.5764 30.9442 177.0230 73 G 4.1248 9.2669 114.1977 48.0156 0.0000 174.8312 74 D 4.4627 8.0512 117.6583 55.4171 39.5783 176.8230 75 N 4.5680 8.0081 116.7880 54.4871 39.1251 175.1577 76 I 4.1778 7.5872 120.0978 61.3848 37.8020 175.3356 77 V 4.2674 8.6971 125.9828 64.4743 32.2584 175.1440 78 Y 4.9943 7.0981 116.0466 56.0158 41.4563 172.7723 79 I 5.2330 8.5037 120.4142 59.7389 40.4700 174.9585 80 S 4.8261 9.0398 120.2519 56.5945 67.2684 173.0197 81 R 4.4067 8.6632 118.8379 56.2033 30.7154 176.8087 82 G 4.3812 8.3176 110.5252 44.5483 0.0000 172.1853 83 K 4.6653 8.3798 118.1765 54.0080 34.2899 175.8990 84 L 3.9862 8.5198 122.8238 54.7632 40.6945 177.2558 85 A 4.1707 8.4161 125.0024 52.3616 18.2477 177.3516 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 10 N 8.42 4.56 0.00 2.70 2.91 0.00 0.00 6.76 6.83 0.00 0.00 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 V 7.51 4.08 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 0.86 0.00 0.00 0.93 0.00 0.00 12 Q 9.22 4.20 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 13 R 8.46 4.03 0.00 1.83 1.86 0.00 3.34 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 14 P 0.00 4.17 0.00 2.14 2.12 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 15 L 7.82 4.04 0.00 1.66 1.87 0.87 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.61 0.00 2.90 2.74 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 0.00 17 A 8.35 4.27 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 18 L 8.00 3.85 0.00 1.58 1.01 -0.23 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.27 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 0.00 0.00 0.00 0.00 20 N 8.23 4.59 0.00 2.78 2.91 0.00 0.00 6.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 7.86 4.64 0.00 3.97 3.87 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 22 L 7.49 4.26 0.00 1.66 1.67 0.98 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.53 4.40 0.00 2.87 2.98 0.00 0.00 6.85 8.04 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 24 S 7.74 5.06 0.00 3.92 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 0.00 25 P 0.00 5.02 0.00 2.13 2.19 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 26 V 9.15 5.02 2.18 0.00 0.00 0.00 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 1.02 0.00 0.00 27 I 9.08 4.95 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 1.00 0.00 0.00 28 I 9.05 4.75 1.93 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 1.16 1.04 0.85 0.00 0.00 29 K 8.35 4.32 0.00 0.79 0.74 0.00 1.33 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.04 1.21 7.81 30 L 8.18 5.02 0.00 1.68 1.56 1.06 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.59 4.05 0.00 1.62 1.78 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.57 7.81 32 G 9.77 4.05 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 0.00 0.00 0.00 33 D 7.77 4.51 0.00 2.80 2.77 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 34 R 7.05 4.44 0.00 1.97 1.85 0.00 3.33 0.00 0.00 3.51 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 35 E 8.22 5.16 0.00 1.99 1.65 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 2.14 2.34 0.00 36 F 9.32 5.18 0.00 3.00 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 37 R 9.43 5.11 0.00 1.72 1.77 0.00 3.25 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 G 7.95 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.76 4.66 2.11 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 1.05 0.00 0.00 0.95 0.00 0.00 40 L 8.73 4.26 0.00 1.86 1.75 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.06 4.47 0.00 1.76 1.84 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.67 7.81 42 S 7.76 4.73 0.00 3.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 5.52 0.00 3.12 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 44 D 8.44 4.85 0.00 2.82 2.75 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 45 L 8.48 4.01 0.00 1.52 1.74 0.90 1.07 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 46 H 8.59 4.52 0.00 3.47 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.37 3.44 0.00 2.17 2.23 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 2.45 2.46 0.00 48 N 8.17 4.83 0.00 3.04 2.74 0.00 0.00 6.79 6.74 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 49 L 9.21 5.31 0.00 1.46 1.51 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.62 4.85 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 0.93 0.00 0.00 51 L 8.79 5.32 0.00 1.63 1.55 0.98 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.97 5.22 0.00 2.62 2.70 0.00 0.00 7.29 8.89 0.00 0.00 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 D 8.45 4.61 0.00 2.81 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 54 A 7.92 4.91 1.48 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 0.00 0.00 0.00 55 E 9.01 4.94 0.00 2.00 1.69 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 0.00 2.09 2.16 0.00 56 E 8.70 3.78 0.00 1.23 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 57 L 8.49 5.20 0.00 1.50 1.42 0.83 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.70 4.63 0.00 1.94 1.68 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 2.18 2.26 0.00 59 D 9.82 4.49 0.00 2.84 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 60 G 8.48 3.92 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 0.00 0.00 0.00 61 E 7.93 4.52 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 62 V 8.45 3.90 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 0.84 0.00 0.00 1.02 0.00 0.00 63 T 8.61 4.52 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 1.24 0.00 0.00 64 R 7.54 4.51 0.00 1.84 1.69 0.00 3.32 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 65 R 8.64 4.78 0.00 1.69 1.86 0.00 3.27 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 66 L 8.85 4.55 0.00 1.69 1.78 1.11 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.18 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.59 5.04 4.25 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 1.29 0.00 0.00 69 V 8.67 4.52 2.11 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 0.65 0.00 0.00 0.82 0.00 0.00 70 L 8.45 5.05 0.00 1.61 1.55 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.61 4.36 1.71 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.10 0.75 0.00 0.00 72 R 8.51 4.30 0.00 1.81 1.77 0.00 3.18 0.00 0.00 3.51 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.60 0.00 73 G 9.27 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.05 4.46 0.00 2.79 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 75 N 8.01 4.57 0.00 2.89 2.88 0.00 0.00 6.85 6.51 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 76 I 7.59 4.18 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.52 0.90 0.00 0.00 77 V 8.70 4.27 2.03 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 0.90 0.00 0.00 0.94 0.00 0.00 78 Y 7.10 4.99 0.00 3.04 3.01 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 0.00 0.00 0.00 79 I 8.50 5.23 1.88 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 1.38 0.68 0.94 0.00 0.00 80 S 9.04 4.83 0.00 3.88 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 81 R 8.66 4.41 0.00 1.73 1.91 0.00 3.17 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 82 G 8.32 4.38 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 0.00 83 K 8.38 4.67 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.43 7.81 84 L 8.52 3.99 0.00 1.64 1.69 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.42 4.17 1.24 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 0.00 0.00 0.00