NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 F 4.7752 8.3244 115.7986 56.2070 39.2409 174.2449 12 N 4.3851 8.7670 120.7018 53.7106 39.4480 173.9436 13 C 5.0119 9.0093 119.7937 56.5911 42.5523 172.1667 14 N 5.1176 8.5399 119.3131 51.8321 38.7385 175.4007 15 K 4.1770 9.0798 127.8965 59.4836 32.1333 179.2030 16 R 4.1020 8.4293 118.3291 58.0796 30.1859 177.0779 17 E 4.4318 7.7305 115.3634 56.0883 30.6316 175.3037 18 G 3.9489 7.2575 105.8651 44.3686 0.0000 170.9147 19 P 4.4836 0.0000 0.0000 62.5053 32.0743 176.2627 20 C 4.8252 8.3649 116.6672 54.9436 37.0925 174.5502 21 S 4.4658 8.3559 119.4329 57.6140 63.6303 175.1737 22 Q 3.9467 8.4811 119.9102 59.0895 28.5205 179.0910 23 R 3.9357 7.7553 118.9767 59.1414 30.0382 179.0569 24 S 3.6014 7.5091 113.7497 61.0987 62.5839 176.3941 25 L 4.2591 7.5423 124.0303 56.4668 41.0361 178.0287 26 C 4.8918 7.9004 113.3025 56.8499 42.6549 174.4304 27 E 4.2757 7.9748 117.1740 56.8406 30.2292 176.0145 28 C 4.5167 7.7359 117.0639 56.6835 40.2959 172.9891 29 D 4.4968 8.8329 123.8504 53.8359 40.9059 175.1306 30 P 4.5398 0.0000 0.0000 65.0180 31.5748 176.7813 31 N 4.7347 8.4663 115.5291 53.8717 38.8820 175.2373 32 L 3.9072 7.7314 120.0136 54.9901 42.2996 178.3862 33 Q 2.7419 8.0283 126.7561 54.0076 27.4588 176.2972 34 L 4.2155 7.2607 118.9126 54.0084 42.4198 178.3050 35 G 4.3821 8.6220 111.7229 44.3814 0.0000 172.0906 36 R 4.2752 8.1076 117.0897 56.0336 31.1727 176.3486 37 H 4.4292 8.9587 122.7310 56.3979 31.0356 174.2790 38 S 4.5615 8.4856 119.0050 56.4638 64.7710 174.7794 39 D 4.2872 8.9271 126.8070 57.1283 40.8248 177.2365 40 Q 4.1571 7.5361 115.7715 56.5393 29.2766 175.7983 41 L 4.7180 7.4086 118.6202 54.0934 43.6992 175.3407 42 W 5.3889 9.2986 119.4175 55.3591 33.4402 174.4363 43 H 5.5355 9.2944 116.1314 54.3920 32.1141 171.3290 44 Y 5.0395 9.5156 121.4597 56.5062 40.8730 173.8804 45 N 4.7341 8.6099 126.3769 51.8030 39.3299 175.1393 46 L 3.5266 8.2490 129.4269 57.7270 42.6619 178.2472 47 R 4.0060 8.0592 118.1806 58.8790 30.1016 176.8700 48 T 4.1979 7.6468 105.3472 60.6133 69.7309 173.5744 49 N 4.1470 7.6001 120.0841 53.3741 37.9910 173.4357 50 R 5.0167 6.9466 114.6804 54.7786 35.1799 176.5091 51 C 5.1967 9.7085 121.8616 56.9516 40.8069 172.8941 52 E 5.0391 9.4516 121.9901 54.3080 33.9044 175.3228 53 R 3.1254 8.1428 119.7884 56.8204 30.8249 177.7133 54 G 3.8234 9.8678 108.3843 46.3246 0.0000 173.0804 55 G 3.9710 7.7398 107.2303 44.8351 0.0000 172.0645 56 Y 4.8599 8.1302 118.1417 56.3618 39.0235 177.4848 57 R 3.9983 8.8026 124.4797 58.7564 30.4927 177.3785 58 D 4.8591 8.5258 116.2093 53.8281 41.2632 174.4918 59 N 5.1531 8.0743 119.1892 52.7068 39.0842 174.5242 60 C 4.2356 9.3017 124.2523 59.7708 41.4180 173.4691 61 N 5.1717 8.7476 119.4668 50.9454 36.1729 174.3381 62 S 5.0382 7.4974 113.8214 57.1661 66.6614 174.5220 63 H 5.1521 9.4818 120.3437 53.9966 32.2527 174.8589 64 S 4.3285 9.0454 116.1462 60.4330 63.8504 174.4306 65 S 4.5549 7.5262 114.9463 55.9219 66.6641 174.8255 66 S 2.9044 7.3311 116.5942 61.0247 61.8770 176.5414 67 G 3.4353 7.6208 107.6332 47.4827 0.0000 175.3570 68 A 3.9321 7.8965 123.0309 55.1168 18.3900 178.9357 69 C 3.9056 7.8766 116.7709 59.5575 43.3105 175.8520 70 V 3.4516 7.8777 120.2015 66.1427 31.0555 177.6323 71 M 3.9095 8.0053 117.5075 58.7441 32.1554 178.0890 72 A 3.9350 8.1528 120.9023 54.3130 18.4734 177.5648 73 C 4.1517 7.9298 112.3977 58.6924 41.8189 176.5326 74 E 4.1449 7.8186 119.1572 58.8368 29.4523 177.8272 75 R 4.3331 7.9938 117.3658 58.0579 30.7981 178.6910 76 I 3.7348 8.2501 119.2563 64.9064 37.5608 178.1915 77 H 4.0987 8.2046 118.8914 59.6893 29.5260 176.8768 78 H 4.3865 8.0336 118.8109 59.4757 29.7106 176.4034 79 H 4.2732 8.1352 119.2592 58.4784 29.7293 175.3920 80 H 4.6529 7.5638 116.3195 56.5971 30.6108 174.4574 81 H 4.3283 8.5208 120.5143 56.2577 29.9699 174.6394 82 H 4.1822 8.3237 121.4169 56.2179 27.7167 173.4341 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 11 F 8.32 4.78 0.00 3.15 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 12 N 8.77 4.39 0.00 2.82 2.95 0.00 0.00 6.82 6.77 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 13 C 9.01 5.01 0.00 2.93 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 14 N 8.54 5.12 0.00 2.79 2.73 0.00 0.00 7.09 5.76 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 15 K 9.08 4.18 0.00 1.78 1.89 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.57 7.81 16 R 8.43 4.10 0.00 2.04 2.00 0.00 3.33 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 17 E 7.73 4.43 0.00 1.97 1.98 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 2.26 2.23 0.00 18 G 7.26 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 19 P 0.00 4.48 0.00 2.20 2.08 0.00 3.75 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 2.00 1.99 0.00 20 C 8.36 4.83 0.00 2.95 3.03 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 21 S 8.36 4.47 0.00 3.96 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 22 Q 8.48 3.95 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.10 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 23 R 7.76 3.94 0.00 1.47 1.53 0.00 3.15 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 24 S 7.51 3.60 0.00 4.22 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 25 L 7.54 4.26 0.00 1.70 1.79 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 26 C 7.90 4.89 0.00 2.36 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 27 E 7.97 4.28 0.00 1.78 2.22 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 2.30 2.16 0.00 28 C 7.74 4.52 0.00 3.11 3.24 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 29 D 8.83 4.50 0.00 2.71 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.19 2.31 0.00 3.86 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.22 0.00 31 N 8.47 4.73 0.00 2.91 2.92 0.00 0.00 6.99 7.39 0.00 0.00 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 L 7.73 3.91 0.00 1.71 1.54 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.03 2.74 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.89 0.00 0.00 0.00 0.00 0.00 1.36 2.12 0.00 34 L 7.26 4.22 0.00 1.70 1.62 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.62 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 36 R 8.11 4.28 0.00 1.82 1.90 0.00 3.16 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 37 H 8.96 4.43 0.00 3.04 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.49 4.56 0.00 3.79 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.93 4.29 0.00 2.64 2.62 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 40 Q 7.54 4.16 0.00 1.97 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 41 L 7.41 4.72 0.00 1.61 1.64 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 42 W 9.30 5.39 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.29 5.54 0.00 3.26 3.53 0.00 5.25 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 9.52 5.04 0.00 2.97 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 45 N 8.61 4.73 0.00 2.73 2.66 0.00 0.00 6.51 6.24 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 46 L 8.25 3.53 0.00 1.66 1.67 1.19 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.06 4.01 0.00 1.77 2.09 0.00 3.33 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 48 T 7.65 4.20 4.21 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 1.18 0.00 0.00 49 N 7.60 4.15 0.00 2.99 2.80 0.00 0.00 7.17 7.25 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 50 R 6.95 5.02 0.00 1.68 1.76 0.00 3.35 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 51 C 9.71 5.20 0.00 2.95 3.14 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 52 E 9.45 5.04 0.00 1.54 1.74 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 2.36 2.40 0.00 53 R 8.14 3.13 0.00 1.34 1.32 0.00 2.97 0.00 0.00 2.93 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.72 0.00 54 G 9.87 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 G 7.74 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 8.13 4.86 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 57 R 8.80 4.00 0.00 1.85 2.03 0.00 3.14 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 58 D 8.53 4.86 0.00 2.81 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.07 5.15 0.00 2.85 2.98 0.00 0.00 7.08 6.93 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 60 C 9.30 4.24 0.00 2.96 3.14 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 61 N 8.75 5.17 0.00 2.80 2.98 0.00 0.00 6.93 8.24 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 62 S 7.50 5.04 0.00 3.91 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 63 H 9.48 5.15 0.00 3.18 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 S 9.05 4.33 0.00 4.02 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 65 S 7.53 4.55 0.00 3.87 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 66 S 7.33 2.90 0.00 2.72 2.99 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 67 G 7.62 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 0.00 0.00 0.00 68 A 7.90 3.93 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 69 C 7.88 3.91 0.00 2.92 3.08 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 0.00 0.00 0.00 0.00 70 V 7.88 3.45 1.95 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 0.88 0.00 0.00 0.83 0.00 0.00 71 M 8.01 3.91 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 72 A 8.15 3.93 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 73 C 7.93 4.15 0.00 2.31 1.18 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 0.00 0.00 0.00 0.00 74 E 7.82 4.14 0.00 2.10 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 2.66 2.38 0.00 75 R 7.99 4.33 0.00 2.03 1.82 0.00 3.09 0.00 0.00 3.12 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 76 I 8.25 3.73 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.94 0.00 0.00 77 H 8.20 4.10 0.00 3.22 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 8.03 4.39 0.00 3.42 3.51 0.00 5.81 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.14 4.27 0.00 3.34 3.35 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 H 7.56 4.65 0.00 3.12 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.52 4.33 0.00 2.65 3.15 0.00 5.99 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.32 4.18 0.00 3.20 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00