NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.0794 7.8827 121.0498 60.6182 40.3432 174.2418 2 V 4.0272 8.1439 125.9409 62.4189 32.0166 173.9693 3 C 5.4021 9.9831 127.0915 54.9650 45.0333 173.1044 4 H 4.8185 9.3780 120.2263 56.3485 28.7894 174.9045 5 T 4.8402 8.8680 115.3928 60.0374 70.5713 175.5916 6 T 4.2230 9.0364 115.4587 63.4657 68.9723 175.6792 7 A 4.1361 8.2526 124.7588 53.9093 18.7802 177.1124 8 T 4.5328 7.6713 105.7123 59.5457 70.8621 173.5965 9 S 4.5856 8.3996 119.1503 55.5200 64.0564 171.8851 10 P 4.3924 0.0000 0.0000 62.0223 31.9089 175.7175 11 I 4.3330 8.5076 120.1187 61.6187 37.4111 175.3793 12 S 4.7496 8.7121 120.7449 56.2180 66.9135 173.7026 13 A 4.4949 8.6243 123.5021 51.8642 17.9081 176.8253 14 V 4.3285 8.6462 114.9398 60.5984 35.0682 176.1798 15 T 4.5423 8.4218 120.9091 63.1422 67.7738 174.4229 16 C 4.5319 8.8996 124.3924 55.5498 40.9432 172.2417 17 P 4.3549 0.0000 0.0000 62.1163 31.5823 174.3149 18 P 4.2423 0.0000 0.0000 64.1448 31.9716 175.4850 19 G 3.6159 9.6250 104.7132 46.1504 0.0000 174.7874 20 E 4.6800 7.4283 115.0261 55.6594 31.8085 173.9722 21 N 5.0945 8.4077 122.8321 52.2970 42.0231 174.1797 22 L 5.2661 8.8679 118.8391 52.9918 45.5526 174.8337 23 C 5.4658 9.4932 119.8266 55.4745 44.4316 172.5720 24 Y 5.5414 8.3382 119.6983 55.6112 41.8702 174.0111 25 R 4.8563 8.9550 120.8582 55.0186 32.2498 175.5599 26 K 5.3032 9.8894 128.4574 54.5747 32.0755 172.8096 27 M 5.6630 9.2961 121.9390 52.6727 33.9971 175.1933 28 W 5.5471 9.2937 119.5196 55.0157 32.2558 173.2476 29 C 4.3258 8.9947 120.1538 57.6745 39.7100 172.1505 30 D 4.4155 8.9952 126.2627 54.6480 38.3764 180.5132 31 A 4.4890 7.0653 130.1491 50.0907 21.9230 178.5482 32 F 3.9618 9.1471 107.5908 62.7477 37.2798 177.2075 33 C 3.7898 6.9425 117.8068 57.8261 44.7149 176.2330 34 S 4.1077 8.1694 114.4451 59.7156 62.6618 174.8655 35 S 4.6037 8.2906 112.7570 59.2139 64.7417 174.6693 36 R 4.5211 8.0422 120.0294 53.7305 30.0066 171.9362 37 G 4.2577 8.3243 113.6360 45.0173 0.0000 170.6120 38 K 4.8596 8.1975 121.4165 54.7161 35.5020 176.0540 39 V 3.3806 8.3292 125.3102 62.4473 31.9268 175.0808 40 V 4.5539 8.3421 129.9934 61.2858 32.4807 173.9666 41 E 4.6336 9.5195 130.3045 54.4430 31.8316 174.3512 42 L 4.9860 9.1496 127.8424 53.2702 44.0825 175.7635 43 G 3.9908 8.3642 111.0276 44.6029 0.0000 169.5901 44 C 5.4193 7.9149 115.1072 55.1247 39.2379 173.6723 45 A 4.4963 8.7762 121.7745 51.7597 22.9325 176.6200 46 A 4.5662 8.8279 120.5912 52.5705 18.9425 177.7060 47 T 4.5850 7.2853 112.1355 62.5513 72.5497 174.0506 48 C 4.2611 8.6367 126.2287 55.5410 45.5615 171.4899 49 P 4.3331 0.0000 0.0000 62.5280 31.4023 177.1366 50 S 4.5565 8.4615 116.6869 58.7331 62.7159 174.9335 51 K 4.4346 7.6284 123.2593 55.2761 31.2961 175.5267 52 K 4.8362 8.0403 119.1348 56.0328 36.3581 175.8096 53 P 4.9503 0.0000 0.0000 59.5564 29.7824 175.1386 54 Y 5.3298 6.5000 129.3885 58.0142 36.3139 172.2412 55 E 4.2277 6.9463 122.6339 54.0692 32.7688 174.7373 56 E 4.3876 9.3346 128.7510 55.0331 29.3418 174.3214 57 V 4.4372 7.6800 120.3161 60.1563 30.3441 175.5748 58 T 4.2721 8.7913 113.5485 61.2646 68.2708 173.2521 59 C 5.6411 8.3526 126.4176 56.6327 37.5785 171.6695 60 C 5.0894 9.3081 116.0581 54.0209 45.1216 174.4361 61 S 5.3732 8.8517 115.2262 57.8210 63.2751 173.6445 62 T 4.7168 7.5195 109.3992 60.0887 71.8258 172.4084 63 D 4.5776 8.5594 121.9673 54.7476 39.2526 176.4004 64 K 3.8572 9.5064 122.2245 57.0521 30.2714 175.2188 65 C 4.0910 7.9619 114.9566 57.4008 42.2105 174.2234 66 N 4.6964 7.2548 120.2608 50.5550 35.5316 172.6519 67 P 3.8566 0.0000 0.0000 62.8627 32.5552 176.3413 68 H 3.9633 8.6190 122.2249 55.7280 29.7988 172.7302 69 P 4.1901 0.0000 0.0000 62.2151 31.8650 176.2115 70 K 4.3131 8.4068 123.9914 55.6318 32.1169 175.2066 71 Q 4.2261 8.0338 131.8627 55.5709 29.8238 177.6406 72 R 4.4619 8.2910 108.8572 53.6256 29.3679 174.4062 73 P 4.5308 0.0000 0.0000 63.2535 31.7732 177.8360 74 G 3.6434 8.0002 114.4532 45.8016 0.0000 173.5187 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 I 7.88 4.08 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 1.22 1.49 1.06 0.00 0.00 2 V 8.14 4.03 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 0.84 0.00 0.00 0.91 0.00 0.00 3 C 9.98 5.40 0.00 2.74 2.79 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 4 H 9.38 4.82 0.00 3.21 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.87 4.84 4.28 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 1.15 0.00 0.00 6 T 9.04 4.22 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 1.26 0.00 0.00 7 A 8.25 4.14 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 8 T 7.67 4.53 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 1.20 0.00 0.00 9 S 8.40 4.59 0.00 3.79 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 10 P 0.00 4.39 0.00 2.20 2.01 0.00 3.84 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 11 I 8.51 4.33 1.79 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.55 0.93 0.00 0.00 12 S 8.71 4.75 0.00 3.77 3.99 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 0.00 0.00 0.00 13 A 8.62 4.49 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 4.33 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 0.66 0.00 0.00 0.98 0.00 0.00 15 T 8.42 4.54 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 1.20 0.00 0.00 16 C 8.90 4.53 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 18 P 0.00 4.24 0.00 2.04 2.02 0.00 3.74 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 2.04 2.12 0.00 19 G 9.62 3.62 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 0.00 0.00 0.00 20 E 7.43 4.68 0.00 2.01 1.89 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 2.25 2.35 0.00 21 N 8.41 5.09 0.00 2.73 2.79 0.00 0.00 6.82 6.75 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 22 L 8.87 5.27 0.00 1.65 1.73 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.49 5.47 0.00 2.81 3.12 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 24 Y 8.34 5.54 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.96 4.86 0.00 1.87 1.97 0.00 3.12 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 26 K 9.89 5.30 0.00 2.24 2.20 0.00 1.78 0.00 0.00 2.03 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.27 7.81 27 M 9.30 5.66 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 28 W 9.29 5.55 0.00 3.27 2.82 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 29 C 8.99 4.33 0.00 2.90 3.17 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 30 D 9.00 4.42 0.00 2.65 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 31 A 7.07 4.49 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.15 3.96 0.00 3.24 3.12 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 33 C 6.94 3.79 0.00 3.12 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.11 0.00 4.04 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 35 S 8.29 4.60 0.00 4.00 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 36 R 8.04 4.52 0.00 1.90 1.91 0.00 3.25 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 37 G 8.32 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 38 K 8.20 4.86 0.00 1.81 1.72 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.26 1.51 7.81 39 V 8.33 3.38 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.51 0.00 0.00 40 V 8.34 4.55 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 0.79 0.00 0.00 1.01 0.00 0.00 41 E 9.52 4.63 0.00 2.13 2.20 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 2.32 2.63 0.00 42 L 9.15 4.99 0.00 1.58 1.63 0.99 0.57 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 43 G 8.36 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 44 C 7.91 5.42 0.00 2.76 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.78 4.50 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.83 4.57 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 47 T 7.29 4.59 4.22 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 1.18 0.00 0.00 48 C 8.64 4.26 0.00 2.90 2.93 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 49 P 0.00 4.33 0.00 1.89 1.68 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.22 0.00 50 S 8.46 4.56 0.00 3.92 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 51 K 7.63 4.43 0.00 1.52 1.68 0.00 1.53 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.24 7.81 52 K 8.04 4.84 0.00 1.71 1.77 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.28 7.81 53 P 0.00 4.95 0.00 2.26 2.15 0.00 3.92 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 2.13 1.98 0.00 54 Y 6.50 5.33 0.00 3.20 3.17 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 55 E 6.95 4.23 0.00 1.16 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 1.73 1.66 0.00 56 E 9.33 4.39 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 57 V 7.68 4.44 1.91 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 0.58 0.00 0.00 0.83 0.00 0.00 58 T 8.79 4.27 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 59 C 8.35 5.64 0.00 2.90 3.12 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 60 C 9.31 5.09 0.00 2.95 3.15 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 61 S 8.85 5.37 0.00 4.00 3.99 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 0.00 0.00 0.00 62 T 7.52 4.72 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 1.22 0.00 0.00 63 D 8.56 4.58 0.00 2.79 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 64 K 9.51 3.86 0.00 1.97 1.96 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.32 7.81 65 C 7.96 4.09 0.00 3.10 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 N 7.25 4.70 0.00 2.74 2.91 0.00 0.00 7.12 7.75 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 67 P 0.00 3.86 0.00 2.14 2.05 0.00 3.80 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 1.96 1.94 0.00 68 H 8.62 3.96 0.00 3.08 3.25 0.00 5.73 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.19 0.00 2.15 1.98 0.00 3.68 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 1.88 1.91 0.00 70 K 8.41 4.31 0.00 1.72 1.79 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.48 7.81 71 Q 8.03 4.23 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.05 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 72 R 8.29 4.46 0.00 1.83 1.81 0.00 3.18 0.00 0.00 3.57 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 73 P 0.00 4.53 0.00 2.25 2.38 0.00 3.71 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 74 G 8.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00