NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3811 8.2644 123.5827 51.5279 20.9897 176.2855 3 K 4.2269 7.5995 116.8829 56.6174 35.1713 173.2647 4 H 3.3149 9.5242 108.9755 57.5217 29.9264 174.0816 5 P 4.5538 0.0000 0.0000 63.0798 32.9225 175.7579 6 V 4.2526 7.5051 115.4703 61.5599 33.9562 170.6486 7 P 4.4080 0.0000 0.0000 62.5661 31.7490 176.5869 8 K 4.2501 8.5195 122.4906 57.7095 32.7671 176.9011 9 K 4.5790 7.6248 116.7064 54.1933 36.0152 175.5829 10 K 3.7660 8.8209 124.0954 57.2370 32.4135 175.9557 11 T 4.2413 8.3466 116.4676 60.6721 70.0354 175.3265 12 S 4.3047 8.4892 119.9901 58.4873 64.9349 174.9316 13 K 3.8084 8.7846 121.3402 59.8431 31.7202 179.0414 14 A 3.8808 7.8952 119.6460 55.8397 18.4620 179.5069 15 R 3.5982 9.0202 117.1940 59.2481 29.9114 178.8007 16 R 3.8197 8.2104 118.2960 59.5866 30.4312 177.8854 17 D 4.4463 8.7064 118.6099 57.2531 40.8645 178.3837 18 A 3.9242 8.7036 122.0486 55.5685 18.0751 179.5271 19 R 3.9046 7.6151 115.4661 59.3663 30.2674 177.8035 20 R 3.9516 8.2208 116.7719 55.8482 30.0420 178.3795 21 S 4.1641 7.8137 115.4278 60.7240 62.9945 174.6640 22 H 4.8403 7.9333 116.3621 56.0045 28.8887 174.7055 23 H 4.5633 8.1280 117.3361 56.7043 29.1000 175.8294 24 A 4.0065 8.0303 121.9548 52.5491 18.4905 177.0941 25 L 4.1947 8.3843 122.4984 54.6552 42.5393 176.2973 26 T 4.4645 8.1956 117.4980 59.4498 68.6221 172.7295 27 P 4.4509 0.0000 0.0000 61.7117 32.0160 174.3779 28 P 4.3149 0.0000 0.0000 63.2039 31.5696 175.4480 29 T 4.3934 8.3317 114.5683 60.7586 68.1148 173.4460 30 L 5.0802 7.9792 127.1507 53.6447 46.4099 175.4614 31 V 4.0401 8.8947 111.0407 61.9298 35.1782 173.4239 32 P 3.5051 0.0000 0.0000 63.8435 32.1601 176.5614 33 C 3.9409 9.8525 133.5997 59.8938 30.5543 171.0605 34 P 4.1228 0.0000 0.0000 65.6889 31.2316 178.0522 35 E 4.0948 8.2463 115.3866 59.0585 29.6898 177.1161 36 C 4.6792 7.1436 115.5952 57.8334 29.5758 175.0803 37 K 4.1373 8.5665 120.1002 57.2815 31.6773 177.3215 38 A 4.4911 7.5437 124.1960 52.6923 20.6434 178.0241 39 M 5.5112 8.0339 112.8987 53.6771 34.1067 175.3037 40 K 4.5918 8.3273 123.5140 54.2232 34.5211 174.5155 41 P 4.9644 0.0000 0.0000 61.4845 32.0363 174.5377 42 P 4.2288 0.0000 0.0000 64.7270 31.8220 175.4146 43 H 4.1936 9.0059 115.3906 56.7784 25.6694 175.0522 44 T 4.7412 7.7328 106.6354 59.8536 71.6267 173.5978 45 V 4.2810 8.2595 123.3307 63.5078 32.4625 174.9653 46 C 4.5941 8.8268 122.4408 59.2678 34.1181 174.6110 47 P 4.2758 0.0000 0.0000 63.7232 29.9671 175.4129 48 E 4.6554 8.9049 128.8915 57.1034 37.4300 181.0596 49 C 3.7616 9.4463 127.7738 62.2390 29.6423 176.3833 50 G 3.9576 8.1011 106.0693 45.9803 0.0000 175.8495 51 Y 4.8812 8.3812 121.6265 55.9849 41.4274 173.3804 52 Y 4.0878 8.5690 121.7364 57.3772 36.9160 175.9823 53 A 3.6375 8.5588 133.4774 53.3498 15.8874 177.6954 54 G 3.8244 7.5026 107.2969 44.1710 0.0000 173.0124 55 R 4.1100 8.1716 122.4101 56.1538 30.9476 175.3217 56 K 4.3668 8.1328 117.3334 55.3270 34.9757 175.0527 57 V 3.2602 7.6063 110.5272 64.3334 32.0616 176.0656 58 L 4.4497 7.2784 119.6081 54.7276 45.6861 173.9910 59 E 4.7502 8.2088 116.6254 55.7028 31.8554 175.6186 60 V 3.9832 8.2181 119.4611 63.2252 31.9462 175.1271 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 2 A 8.26 4.38 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 3 K 7.60 4.23 0.00 1.72 1.63 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.53 7.81 4 H 9.52 3.31 0.00 3.20 3.01 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.55 0.00 2.04 1.99 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 6 V 7.51 4.25 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 0.72 0.00 0.00 0.99 0.00 0.00 7 P 0.00 4.41 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 8.52 4.25 0.00 1.71 1.83 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 9 K 7.62 4.58 0.00 1.73 1.64 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.82 3.77 0.00 1.71 1.75 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 T 8.35 4.24 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 12 S 8.49 4.30 0.00 4.07 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 13 K 8.78 3.81 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.90 3.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 3.60 0.00 1.84 1.94 0.00 3.10 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 16 R 8.21 3.82 0.00 1.80 2.25 0.00 3.33 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 17 D 8.71 4.45 0.00 2.77 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 18 A 8.70 3.92 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 19 R 7.62 3.90 0.00 1.95 2.15 0.00 3.28 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 20 R 8.22 3.95 0.00 1.86 1.77 0.00 3.17 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 21 S 7.81 4.16 0.00 3.86 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 22 H 7.93 4.84 0.00 3.19 3.36 0.00 5.69 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.13 4.56 0.00 3.24 3.35 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.03 4.01 1.26 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 25 L 8.38 4.19 0.00 1.66 1.61 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.20 4.46 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 1.22 0.00 0.00 27 P 0.00 4.45 0.00 2.22 2.05 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 28 P 0.00 4.31 0.00 2.21 2.11 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 T 8.33 4.39 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 1.22 0.00 0.00 30 L 7.98 5.08 0.00 1.51 1.52 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.89 4.04 2.06 0.00 0.00 0.00 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 1.05 0.00 0.00 32 P 0.00 3.51 0.00 2.04 1.80 0.00 3.54 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 33 C 9.85 3.94 0.00 2.99 3.47 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 0.00 0.00 0.00 34 P 0.00 4.12 0.00 1.98 2.03 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.02 0.00 35 E 8.25 4.09 0.00 1.98 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 0.00 2.33 2.32 0.00 36 C 7.14 4.68 0.00 3.09 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 37 K 8.57 4.14 0.00 1.86 1.90 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 38 A 7.54 4.49 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.03 5.51 0.00 1.85 1.97 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 2.50 2.35 0.00 40 K 8.33 4.59 0.00 1.81 1.75 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.53 7.81 41 P 0.00 4.96 0.00 2.11 2.07 0.00 3.42 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.86 0.00 42 P 0.00 4.23 0.00 2.21 2.11 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 43 H 9.01 4.19 0.00 3.37 3.49 0.00 5.68 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.73 4.74 4.30 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 1.26 0.00 0.00 45 V 8.26 4.28 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 0.81 0.00 0.00 0.81 0.00 0.00 46 C 8.83 4.59 0.00 2.98 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 47 P 0.00 4.28 0.00 2.13 2.14 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.16 0.00 48 E 8.90 4.66 0.00 2.14 1.12 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 2.19 2.28 0.00 49 C 9.45 3.76 0.00 3.04 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 50 G 8.10 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.38 4.88 0.00 2.36 1.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.57 4.09 0.00 3.17 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 53 A 8.56 3.64 1.35 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 0.00 0.00 0.00 0.00 0.00 54 G 7.50 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 55 R 8.17 4.11 0.00 1.68 1.78 0.00 3.30 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 56 K 8.13 4.37 0.00 1.73 1.65 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.35 1.44 7.81 57 V 7.61 3.26 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 0.70 0.00 0.00 1.00 0.00 0.00 58 L 7.28 4.45 0.00 1.55 1.51 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.21 4.75 0.00 2.03 1.88 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 2.16 2.26 0.00 60 V 8.22 3.98 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 0.82 0.00 0.00 0.94 0.00 0.00