NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 I 3.9830 8.0249 120.7876 61.3013 37.9777 172.4876 7 N 4.2228 8.6940 128.5298 50.7583 38.3874 173.6507 8 R 4.6435 8.9432 117.7140 55.2627 30.1649 174.2838 9 M 4.8805 8.0328 116.8255 55.1027 34.9257 175.1971 10 D 4.8821 8.3024 119.6771 53.1121 42.4409 175.5552 11 Y 5.5923 7.5611 120.2254 54.8818 41.9870 174.7222 12 V 4.4008 8.0162 117.6674 61.5121 34.6108 170.6329 13 E 5.8520 9.3170 122.4710 53.8137 32.7361 175.0424 14 I 4.4598 8.0401 115.9997 58.8442 40.1266 174.2113 15 N 4.9524 8.8222 126.0698 53.8668 39.4837 173.8548 16 I 4.3411 8.9642 126.0492 60.2173 41.6635 173.5700 17 D 4.6405 8.6169 119.5861 55.0434 43.8734 176.7299 18 H 4.1795 7.9841 118.7179 55.8048 30.1683 176.5656 19 K 4.4545 8.4348 119.3546 57.2657 30.2829 177.4753 20 F 4.3516 8.1684 125.4420 62.7053 39.9670 174.9913 21 H 4.1705 8.7302 115.1935 58.7522 28.4593 177.1032 22 R 3.8079 8.0980 118.9534 60.3629 30.0297 178.7951 23 H 4.4026 7.6269 114.3063 58.6808 28.7277 177.5725 24 L 4.1021 8.2579 120.8320 56.9569 41.8830 178.3770 25 I 4.3124 8.5987 112.3998 58.6744 38.1032 177.3357 26 G 3.8798 7.8147 111.9046 47.4932 0.0000 174.8221 27 K 4.2351 8.9781 120.4861 57.5674 32.8772 176.6032 28 S 4.3924 9.3405 110.1679 60.6243 63.6844 172.0367 29 G 3.6316 7.2592 104.5527 43.4581 0.0000 172.1821 30 A 4.4941 8.4853 126.6217 52.8945 23.0224 177.0368 31 N 4.2131 8.4582 113.7660 57.0785 38.7711 176.4728 32 I 3.6774 7.8546 113.7186 64.3767 37.2814 177.4228 33 N 4.3872 8.4750 118.7394 55.9241 38.7987 176.7207 34 R 3.9170 7.7867 120.1300 59.8379 29.7430 178.2827 35 I 4.0328 7.7745 118.8956 63.9378 37.4626 177.8579 36 K 4.1041 7.8875 121.3130 59.0523 31.7213 177.6781 37 D 4.4794 8.0602 116.7832 56.1970 41.6320 177.8728 38 Q 4.0616 7.9630 119.4282 58.6817 28.9518 176.1402 39 Y 4.3443 9.3171 115.9770 56.6918 38.7001 175.6452 40 K 4.3498 7.8096 117.6029 56.9659 29.7602 173.0608 41 V 4.5855 7.3372 111.0954 59.5996 36.5331 176.0045 42 S 4.9971 8.6816 113.3163 56.8614 61.8435 172.7792 43 V 4.5529 7.8115 121.5930 60.6887 33.3030 176.6413 44 R 4.6266 9.0619 122.3551 54.6593 34.7356 174.3287 45 I 4.2052 8.3488 124.5466 58.8423 37.9433 173.7705 46 P 4.3656 0.0000 0.0000 61.6906 31.7294 176.3035 47 P 4.6709 0.0000 0.0000 61.9628 29.1650 173.7128 48 D 4.8148 7.3424 119.6504 53.2362 43.7230 176.7436 49 S 4.5964 8.0745 110.4256 57.4821 62.8431 175.6348 50 E 4.1948 7.7725 119.7586 55.5287 28.2131 175.0076 51 K 4.0200 7.8963 125.5217 56.6147 31.2176 175.3490 52 S 4.7975 7.5238 114.4380 56.7322 65.8920 173.2475 53 N 4.6670 8.8310 123.0825 53.6880 40.5544 174.5181 54 L 5.3912 8.0838 123.3731 53.9980 44.5411 175.2814 55 I 3.9333 8.3705 125.6458 61.2469 38.5784 175.5950 56 R 4.7182 8.5264 125.1899 55.7652 31.8691 175.9079 57 I 4.9306 8.5714 123.6947 60.0023 41.4484 173.7784 58 E 5.1091 9.1236 127.5720 54.6035 33.7718 172.1723 59 G 4.1099 9.3457 116.8907 46.3526 0.0000 172.8640 60 D 5.1497 9.3870 126.1248 54.1265 47.3800 176.4215 61 P 4.6149 0.0000 0.0000 62.5565 34.4273 176.2834 62 Q 4.2697 8.7714 115.2912 58.6992 28.4480 178.6050 63 G 3.9671 8.3717 108.7893 47.0522 0.0000 176.0930 64 V 3.6607 7.7366 121.3059 64.7661 31.7214 178.6466 65 Q 4.0244 7.9986 118.2626 58.3993 28.5463 178.0079 66 Q 3.8871 8.6409 121.8768 59.1504 29.2815 177.8377 67 A 3.2935 8.1298 122.0286 54.4194 18.3202 179.6481 68 K 3.7855 7.8872 118.4575 59.8370 32.3821 179.1735 69 R 3.9656 7.8009 118.2711 58.7822 29.8365 178.1384 70 E 3.8490 8.3694 119.9526 59.1997 29.7310 178.6676 71 L 3.9486 7.8654 119.0241 57.8556 41.5178 179.3723 72 L 4.0562 7.6173 118.4382 58.3628 42.0520 177.4308 73 E 4.1685 8.1812 118.1398 58.2258 29.2720 178.1219 74 L 4.0935 8.0393 123.3845 56.1695 42.6264 177.2796 75 A 4.1885 8.8391 119.0097 51.9650 16.8352 176.9390 76 S 4.0851 8.2712 118.7979 60.4004 63.3642 171.0805 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 6 I 8.02 3.98 1.87 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 1.41 1.34 0.91 0.00 0.00 7 N 8.69 4.22 0.00 2.98 2.82 0.00 0.00 6.97 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.94 4.64 0.00 1.88 1.95 0.00 3.02 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 9 M 8.03 4.88 0.00 2.28 2.15 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 2.55 2.75 0.00 10 D 8.30 4.88 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 5.59 0.00 2.94 2.90 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 0.00 0.00 0.00 12 V 8.02 4.40 2.00 0.00 0.00 0.00 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 0.91 0.00 0.00 13 E 9.32 5.85 0.00 1.88 2.00 0.00 0.00 0.00 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 2.20 0.00 14 I 8.04 4.46 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.96 0.00 0.00 15 N 8.82 4.95 0.00 2.75 2.75 0.00 0.00 6.95 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.96 4.34 1.95 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 1.54 1.10 0.89 0.00 0.00 17 D 8.62 4.64 0.00 2.47 2.39 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 0.00 0.00 0.00 0.00 18 H 7.98 4.18 0.00 3.07 3.35 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.43 4.45 0.00 1.96 2.02 0.00 1.42 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.56 7.81 20 F 8.17 4.35 0.00 3.25 3.18 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 21 H 8.73 4.17 0.00 3.24 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.10 3.81 0.00 1.89 1.97 0.00 3.19 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 23 H 7.63 4.40 0.00 3.47 3.18 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.26 4.10 0.00 1.76 1.65 0.70 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.60 4.31 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.93 0.00 0.00 26 G 7.81 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.98 4.24 0.00 1.75 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.41 7.81 28 S 9.34 4.39 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.26 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.49 1.25 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 0.00 0.00 0.00 31 N 8.46 4.21 0.00 2.80 2.87 0.00 0.00 6.83 7.65 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 32 I 7.85 3.68 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 1.52 0.46 0.89 0.00 0.00 33 N 8.48 4.39 0.00 2.88 2.85 0.00 0.00 6.80 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.79 3.92 0.00 2.02 2.02 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 35 I 7.77 4.03 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.89 0.76 0.00 0.00 36 K 7.89 4.10 0.00 1.90 1.94 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.42 7.81 37 D 8.06 4.48 0.00 2.77 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 38 Q 7.96 4.06 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.57 0.00 0.00 0.00 0.00 0.00 2.24 1.73 0.00 39 Y 9.32 4.34 0.00 2.90 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 40 K 7.81 4.35 0.00 1.87 1.85 0.00 1.73 0.00 0.00 2.37 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.40 7.81 41 V 7.34 4.59 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 0.94 0.00 0.00 0.98 0.00 0.00 42 S 8.68 5.00 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.81 4.55 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 0.74 0.00 0.00 0.91 0.00 0.00 44 R 9.06 4.63 0.00 1.70 1.78 0.00 3.10 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 45 I 8.35 4.21 1.84 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.76 0.87 0.00 0.00 46 P 0.00 4.37 0.00 2.42 2.11 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 47 P 0.00 4.67 0.00 2.22 2.16 0.00 3.73 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 48 D 7.34 4.81 0.00 2.74 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 49 S 8.07 4.60 0.00 3.78 3.75 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 50 E 7.77 4.19 0.00 2.11 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 2.32 0.00 51 K 7.90 4.02 0.00 1.93 1.88 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.44 7.81 52 S 7.52 4.80 0.00 3.70 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 53 N 8.83 4.67 0.00 2.82 2.73 0.00 0.00 6.51 6.05 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 54 L 8.08 5.39 0.00 1.54 1.75 0.94 1.05 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 55 I 8.37 3.93 1.89 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 1.23 0.93 0.94 0.00 0.00 56 R 8.53 4.72 0.00 1.81 1.85 0.00 3.09 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 57 I 8.57 4.93 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 1.28 0.89 0.94 0.00 0.00 58 E 9.12 5.11 0.00 2.15 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 2.34 2.40 0.00 59 G 9.35 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 0.00 0.00 0.00 60 D 9.39 5.15 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 61 P 0.00 4.61 0.00 2.28 2.24 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 62 Q 8.77 4.27 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 63 G 8.37 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 64 V 7.74 3.66 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 0.84 0.00 0.00 0.99 0.00 0.00 65 Q 8.00 4.02 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 66 Q 8.64 3.89 0.00 2.31 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 67 A 8.13 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.89 3.79 0.00 1.94 1.94 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.57 7.81 69 R 7.80 3.97 0.00 2.12 1.90 0.00 3.15 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 70 E 8.37 3.85 0.00 2.15 1.72 0.00 0.00 0.00 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 2.41 0.00 71 L 7.87 3.95 0.00 1.75 1.71 0.82 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.62 4.06 0.00 1.83 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.18 4.17 0.00 2.14 1.81 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 2.31 2.49 0.00 74 L 8.04 4.09 0.00 1.71 1.75 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.84 4.19 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.27 4.09 0.00 3.97 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