NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6134 8.2076 120.1903 53.2698 42.4166 176.1380 3 P 4.1532 0.0000 0.0000 65.6850 31.0268 176.9049 4 N 4.4483 9.3288 117.6789 56.2184 38.7486 178.6413 5 T 3.9326 7.7794 117.5203 66.4289 68.4385 176.8193 6 V 3.6341 7.7131 119.5948 66.2391 31.6878 178.0101 7 S 4.4099 7.9868 116.2112 61.2176 62.5832 176.9453 8 S 4.1581 8.6143 118.1673 61.5536 62.5086 176.5757 9 F 4.2675 8.3462 123.3021 61.3652 38.7563 177.1498 10 Q 3.9066 8.3680 117.7737 58.9819 28.5178 179.0305 11 V 3.7284 7.9814 119.2347 66.2357 31.5406 177.7544 12 D 4.4379 8.4033 118.8574 57.4665 40.6178 178.6208 13 C 4.0000 8.0480 117.3618 62.7379 28.0737 175.9389 14 F 4.2913 8.2584 122.0997 61.4605 38.9485 177.1634 15 L 3.7973 8.4843 119.0444 57.3319 41.2566 179.2579 16 W 3.9362 8.4398 128.6128 60.7050 30.5265 177.5022 17 H 4.1544 8.3982 118.2269 59.1684 29.3803 177.4089 18 V 3.2373 7.5306 120.1532 65.9640 31.3304 178.2659 19 R 3.9912 7.9015 117.9732 58.9799 29.7234 178.9775 20 K 3.4874 7.5285 119.7617 59.2837 32.0649 178.9277 21 R 3.8010 7.8442 118.5637 59.4221 29.9682 179.0828 22 L 3.9279 7.7832 118.1205 57.5456 41.5817 179.3744 23 A 3.9987 8.1436 120.8492 55.2985 18.1071 179.4389 24 D 4.3740 8.2238 116.7449 57.1412 40.8980 178.0382 25 Q 4.2435 7.4899 115.6897 54.9773 29.0596 175.3629 26 E 3.7439 7.8771 118.4543 57.7525 27.3010 175.0836 27 L 4.3514 7.7780 117.4804 54.5000 42.7844 177.2539 28 G 3.6131 7.5894 108.3026 44.1932 0.0000 174.2037 29 D 4.7022 8.1594 123.0060 51.7906 42.6950 177.2496 30 A 4.0023 8.3754 119.9669 55.1661 18.2871 177.9365 31 P 4.2645 0.0000 0.0000 65.5199 31.4152 178.5716 32 F 4.0342 8.5036 119.5111 61.3077 39.3364 177.2431 33 L 4.0068 8.2739 118.6162 57.7236 41.3462 178.7806 34 D 4.3589 8.4888 118.4223 57.6770 41.0519 178.7266 35 R 3.8714 8.2887 118.7575 58.9987 30.0205 178.7930 36 L 3.8545 7.7630 120.1362 58.1876 41.5714 179.3883 37 R 4.0667 8.1053 117.9194 59.4609 30.2081 179.2862 38 R 4.0205 8.3026 118.1277 59.4199 30.0559 178.9400 39 D 4.4376 8.6337 119.0853 57.1237 40.7803 178.4857 40 Q 3.2775 8.2395 120.2881 58.8906 28.9763 178.5789 41 K 3.9342 7.6865 118.3042 59.5523 32.0673 179.5917 42 S 4.1254 7.8680 114.9808 61.5937 62.6960 176.7099 43 L 4.2262 8.3458 122.0802 57.9123 41.3068 179.8566 44 R 4.0355 8.0942 118.2826 58.9214 29.8691 179.3389 45 G 3.5331 8.0960 105.6074 47.9302 0.0000 175.9347 46 R 3.8974 8.4819 121.6896 58.7183 30.0338 179.3003 47 G 3.3966 8.3508 105.7728 47.7845 0.0000 175.4657 48 N 4.2787 8.0144 118.7107 56.3942 38.3795 177.5227 49 T 3.8094 7.7024 115.8503 66.5562 68.6534 176.0183 50 L 4.2257 7.7566 118.6120 54.3156 42.0313 177.1239 51 G 3.8129 7.4663 105.8539 46.6003 0.0000 173.2600 52 L 4.7480 7.6391 118.6766 51.9529 44.5340 176.8911 53 D 4.5255 8.5657 122.2724 54.1427 42.6508 177.2661 54 I 3.7414 8.4213 127.7651 64.2844 37.1750 177.9402 55 E 3.9202 8.1847 119.7014 59.7778 29.4752 178.9534 56 T 3.8535 8.4446 115.4206 66.6799 68.4737 176.6379 57 A 4.0621 8.1671 122.6015 55.3086 18.3023 179.8500 58 T 3.8622 8.2140 114.7757 66.9277 68.4129 177.1123 59 R 3.8842 7.8797 119.5098 59.1304 30.0750 178.9862 60 A 4.2298 8.0795 120.8015 55.0825 18.3144 179.8889 61 G 3.5634 8.3063 104.4831 47.7007 0.0000 175.7370 62 K 2.0000 7.5209 121.8333 58.7413 32.0826 178.9566 63 Q 4.2587 7.4106 119.6256 58.3978 28.5412 178.7364 64 I 3.6452 7.5888 120.7784 64.3255 37.1701 178.5917 65 V 3.6078 7.7729 119.2831 66.0545 31.2657 177.8662 66 E 3.9934 8.2136 117.4155 59.5018 29.0143 179.3847 67 R 3.9232 8.0811 119.2629 58.8879 29.9822 178.7187 68 I 3.9544 8.0301 111.3438 62.5160 38.1086 177.0135 69 L 4.5802 7.6885 120.1588 54.5025 41.7297 177.7331 70 E 4.0110 7.8206 118.8004 58.7637 29.4241 177.3862 71 E 4.4484 7.9619 116.6207 56.0888 30.2396 175.6597 72 E 4.2807 8.2074 124.6457 56.4169 29.7713 175.6894 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 D 8.21 4.61 0.00 2.77 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 3 P 0.00 4.15 0.00 2.39 2.31 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 4 N 9.33 4.45 0.00 3.11 2.93 0.00 0.00 6.88 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 5 T 7.78 3.93 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 6 V 7.71 3.63 2.25 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 1.21 0.00 0.00 0.94 0.00 0.00 7 S 7.99 4.41 0.00 3.95 3.93 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 8 S 8.61 4.16 0.00 4.06 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 9 F 8.35 4.27 0.00 3.16 3.25 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 10 Q 8.37 3.91 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.61 0.00 11 V 7.98 3.73 2.13 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 1.15 0.00 0.00 0.99 0.00 0.00 12 D 8.40 4.44 0.00 2.90 2.72 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 0.00 0.00 0.00 13 C 8.05 4.00 0.00 2.88 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 14 F 8.26 4.29 0.00 3.27 3.22 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 0.00 15 L 8.48 3.80 0.00 1.73 1.70 0.97 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.44 3.94 0.00 3.43 3.31 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 17 H 8.40 4.15 0.00 3.47 3.43 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.53 3.24 1.94 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 0.85 0.00 0.00 0.27 0.00 0.00 19 R 7.90 3.99 0.00 1.58 1.54 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 20 K 7.53 3.49 0.00 0.79 1.47 0.00 1.29 0.00 0.00 1.27 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.35 7.81 21 R 7.84 3.80 0.00 1.87 1.85 0.00 3.28 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.00 22 L 7.78 3.93 0.00 1.84 1.53 0.91 0.76 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 23 A 8.14 4.00 1.39 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 0.00 0.00 24 D 8.22 4.37 0.00 2.79 2.72 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 0.00 0.00 0.00 25 Q 7.49 4.24 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 26 E 7.88 3.74 0.00 2.10 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 2.22 2.23 0.00 27 L 7.78 4.35 0.00 1.65 1.44 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.59 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.70 0.00 2.88 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 30 A 8.38 4.00 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 31 P 0.00 4.26 0.00 2.22 2.14 0.00 4.02 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 32 F 8.50 4.03 0.00 3.18 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 33 L 8.27 4.01 0.00 1.93 1.74 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.49 4.36 0.00 2.87 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 35 R 8.29 3.87 0.00 1.80 1.84 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 36 L 7.76 3.85 0.00 1.47 1.73 -0.26 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.11 4.07 0.00 2.07 2.01 0.00 3.22 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 38 R 8.30 4.02 0.00 1.83 1.99 0.00 3.30 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.82 0.00 39 D 8.63 4.44 0.00 2.99 2.88 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 40 Q 8.24 3.28 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.11 1.67 0.00 41 K 7.69 3.93 0.00 2.03 1.82 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.63 7.81 42 S 7.87 4.13 0.00 4.02 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 43 L 8.35 4.23 0.00 1.53 1.63 0.71 0.93 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 44 R 8.09 4.04 0.00 1.96 1.93 0.00 3.07 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 45 G 8.10 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.48 3.90 0.00 2.06 1.80 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 47 G 8.35 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.01 4.28 0.00 2.90 2.83 0.00 0.00 7.04 7.07 0.00 0.00 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 T 7.70 3.81 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 1.14 0.00 0.00 50 L 7.76 4.23 0.00 1.23 1.51 0.40 0.70 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 51 G 7.47 3.81 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 0.00 0.00 0.00 52 L 7.64 4.75 0.00 1.57 1.70 0.94 0.85 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 53 D 8.57 4.53 0.00 2.81 2.57 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 54 I 8.42 3.74 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.70 0.78 0.00 0.00 55 E 8.18 3.92 0.00 2.04 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 0.00 2.39 2.43 0.00 56 T 8.44 3.85 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 1.23 0.00 0.00 57 A 8.17 4.06 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 58 T 8.21 3.86 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 59 R 7.88 3.88 0.00 1.96 1.95 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 60 A 8.08 4.23 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 61 G 8.31 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 2.00 0.00 1.13 1.64 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.05 1.06 7.81 63 Q 7.41 4.26 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.27 0.00 64 I 7.59 3.65 1.84 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 1.39 0.83 0.91 0.00 0.00 65 V 7.77 3.61 1.99 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 1.23 0.00 0.00 1.17 0.00 0.00 66 E 8.21 3.99 0.00 2.20 2.14 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 2.41 2.30 0.00 67 R 8.08 3.92 0.00 2.10 2.00 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 68 I 8.03 3.95 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.54 0.95 0.00 0.00 69 L 7.69 4.58 0.00 1.74 1.72 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.82 4.01 0.00 2.11 2.28 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 2.47 2.36 0.00 71 E 7.96 4.45 0.00 1.98 2.02 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 2.24 2.31 0.00 72 E 8.21 4.28 0.00 2.11 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 2.25 2.22 0.00