NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.6141 8.1449 121.6956 57.8029 39.7323 173.6646 12 Q 4.0691 8.2181 125.7374 56.3274 30.0471 173.9588 13 T 4.0388 6.9264 110.1791 59.8464 71.6040 172.3966 14 A 3.9920 8.2469 126.8606 51.4031 18.6162 175.9509 15 P 4.5997 0.0000 0.0000 61.6276 32.4670 175.8092 16 F 3.9963 8.8002 120.5941 59.0239 39.6352 174.1130 17 D 4.6393 7.4705 125.5522 52.0296 43.2002 176.3163 18 S 4.0274 8.5342 121.7500 61.0037 63.2400 175.7844 19 R 3.7495 7.5592 118.9442 58.3432 30.1805 177.0744 20 F 5.0373 7.5369 116.1554 55.6723 39.7919 172.6707 21 P 4.6406 0.0000 0.0000 63.4600 31.2833 176.2259 22 N 5.0696 7.7200 116.8437 51.3597 41.2088 175.3292 23 Q 4.1390 8.6128 117.3222 58.7600 28.8484 176.5821 24 N 4.6678 7.5578 114.5937 53.0280 39.2056 174.2970 25 Q 4.6575 8.5549 123.2988 55.9643 30.1491 177.4751 26 T 4.1910 8.5654 117.6234 67.1046 68.4195 176.4102 27 R 4.1702 8.0509 119.5596 58.8945 30.2552 177.8919 28 N 3.1400 7.4905 116.9563 56.3366 38.8917 175.9202 29 C 4.4569 8.2028 119.4361 59.3941 44.9140 175.1266 30 W 4.2954 8.5001 129.9563 60.7102 30.4165 177.6748 31 Q 3.7895 8.4470 119.7012 59.3906 28.4882 178.1228 32 N 4.6915 8.2561 117.1420 56.3351 38.4402 176.8801 33 Y 3.5900 8.1104 121.2395 60.4032 38.8283 177.9334 34 L 3.6618 7.6688 119.9409 57.5986 41.6175 178.9269 35 D 3.9674 8.2336 119.1942 57.3657 40.6448 178.8422 36 F 4.1029 8.1745 120.9270 61.5456 39.2608 176.7495 37 H 3.8802 7.7314 115.3604 58.0264 28.5760 178.0000 38 R 3.7509 8.3010 120.5098 59.3736 29.8329 177.8628 39 C 4.0908 8.1229 118.4844 59.6310 39.5751 174.9207 40 E 3.4435 7.7866 121.0823 59.0888 28.9764 179.0244 41 K 4.0113 7.6843 117.8180 59.0641 32.9612 178.7875 42 A 4.0366 7.7683 121.1777 55.7382 18.6645 178.9191 43 M 4.0946 8.3105 117.6729 58.1074 31.8372 178.6742 44 T 3.9496 7.9837 117.8821 64.7859 69.3605 176.8284 45 A 4.2552 8.8356 120.2390 52.5531 18.0883 179.4539 46 K 3.8715 9.3769 123.8898 56.8168 34.1753 173.9803 47 G 3.6526 8.5524 110.4271 45.4818 0.0000 172.5928 48 G 4.1736 8.1082 111.1213 44.1121 0.0000 168.5527 49 D 4.7750 8.2337 117.6604 52.4975 42.5439 177.3710 50 V 3.8109 8.2795 125.3421 64.6982 32.2345 177.7091 51 S 4.4853 8.5985 114.6998 61.4905 62.8084 177.0460 52 V 3.7069 7.5135 113.4913 64.3144 31.5016 176.2557 53 C 4.8826 8.7089 116.3284 57.2999 40.5667 174.9375 54 E 4.0591 8.3355 122.4205 59.0243 29.0482 178.3058 55 W 4.1371 8.2294 127.8546 61.0561 30.6852 177.2002 56 Y 4.3898 7.8890 115.8071 61.3748 37.2979 178.7439 57 R 3.4930 7.6878 118.1217 58.8371 30.0295 178.8850 58 R 3.3308 7.4126 117.9670 58.8121 30.1217 178.7594 59 V 3.4395 7.2102 118.6021 66.3348 31.4471 177.7086 60 Y 4.3470 8.0110 117.1098 59.9787 37.5274 178.4733 61 K 3.6741 7.1082 119.6330 59.2057 32.1780 179.0732 62 S 4.2323 7.7573 114.1916 61.4874 62.8513 176.2395 63 L 4.2627 7.5389 119.3915 55.9840 42.2338 177.0208 64 C 4.3674 8.1659 116.4691 55.4464 36.3513 172.4498 65 P 4.1065 0.0000 0.0000 62.7144 32.5141 177.4278 66 I 3.6936 8.3087 122.7172 64.7911 37.1240 178.8824 67 S 4.1345 7.8968 114.2931 60.9483 62.8281 176.5696 68 W 3.6111 7.7573 122.3189 59.2791 28.7193 178.3225 69 V 3.5530 7.4312 118.0204 66.1438 30.9144 177.8433 70 S 4.1542 8.2310 112.8263 61.8625 62.1411 176.3908 71 T 3.9113 7.7965 118.1674 66.4794 68.2198 176.8884 72 W 4.6679 8.3390 121.1621 59.8488 29.0149 178.3665 73 D 4.4344 8.7387 119.2511 57.5569 40.3700 178.4012 74 D 4.4523 8.3997 119.4890 57.7912 40.9051 179.3791 75 R 4.1333 8.6103 118.6999 59.0461 29.9235 179.2643 76 R 3.9684 8.7141 118.3653 59.2494 29.8226 178.8154 77 A 4.0123 7.9158 119.3704 55.1919 18.4742 178.9649 78 E 4.1461 8.1303 116.4486 57.4558 29.7833 177.6872 79 G 4.0443 8.0862 106.7819 45.5812 0.0000 173.5764 80 T 4.5585 7.8531 107.0214 60.7605 69.1421 173.6610 81 F 4.3702 8.3095 124.9896 58.1656 39.5145 173.2882 82 P 4.3541 0.0000 0.0000 63.8883 31.9327 176.7889 83 G 3.6688 6.2694 107.8373 44.9249 0.0000 172.8424 84 K 4.3307 8.4168 122.5183 55.1810 32.8354 176.8339 85 I 4.0921 8.2518 126.1193 61.5099 37.7808 175.2824 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 Y 8.14 4.61 0.00 3.04 2.96 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 12 Q 8.22 4.07 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.61 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 13 T 6.93 4.04 4.09 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 1.10 0.00 0.00 14 A 8.25 3.99 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 15 P 0.00 4.60 0.00 2.40 2.25 0.00 3.98 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 16 F 8.80 4.00 0.00 3.10 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 17 D 7.47 4.64 0.00 2.75 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 18 S 8.53 4.03 0.00 4.13 4.15 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 19 R 7.56 3.75 0.00 1.18 0.87 0.00 2.98 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 20 F 7.54 5.04 0.00 2.91 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.64 0.00 2.35 2.37 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 22 N 7.72 5.07 0.00 2.84 2.85 0.00 0.00 7.13 7.74 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 23 Q 8.61 4.14 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 24 N 7.56 4.67 0.00 2.71 2.81 0.00 0.00 7.05 6.96 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 25 Q 8.55 4.66 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.64 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 26 T 8.57 4.19 4.36 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 1.40 0.00 0.00 27 R 8.05 4.17 0.00 2.00 2.07 0.00 3.37 0.00 0.00 3.57 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 28 N 7.49 3.14 0.00 2.37 2.71 0.00 0.00 6.67 6.97 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 29 C 8.20 4.46 0.00 3.18 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 30 W 8.50 4.30 0.00 3.53 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 31 Q 8.45 3.79 0.00 2.45 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 32 N 8.26 4.69 0.00 3.12 3.11 0.00 0.00 6.69 6.96 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 33 Y 8.11 3.59 0.00 3.26 2.91 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 34 L 7.67 3.66 0.00 1.55 1.36 0.11 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.23 3.97 0.00 2.43 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.10 0.00 3.30 2.91 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 37 H 7.73 3.88 0.00 2.83 3.04 0.00 5.87 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 38 R 8.30 3.75 0.00 1.65 1.84 0.00 3.03 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 39 C 8.12 4.09 0.00 2.95 3.07 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 0.00 0.00 0.00 0.00 40 E 7.79 3.44 0.00 1.18 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 2.12 2.14 0.00 41 K 7.68 4.01 0.00 1.90 2.07 0.00 1.33 0.00 0.00 1.59 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 42 A 7.77 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.31 4.09 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.82 0.00 44 T 7.98 3.95 4.20 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 0.00 0.00 1.19 0.00 0.00 45 A 8.84 4.26 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 0.00 0.00 46 K 9.38 3.87 0.00 1.72 1.90 0.00 1.86 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.47 7.81 47 G 8.55 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.11 4.17 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 0.00 0.00 0.00 49 D 8.23 4.77 0.00 2.71 2.53 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 50 V 8.28 3.81 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 0.99 0.00 0.00 0.87 0.00 0.00 51 S 8.60 4.49 0.00 4.06 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 0.00 52 V 7.51 3.71 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 0.70 0.00 0.00 1.04 0.00 0.00 53 C 8.71 4.88 0.00 3.11 3.21 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 0.00 54 E 8.34 4.06 0.00 2.30 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 2.30 0.00 55 W 8.23 4.14 0.00 3.29 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.39 0.00 3.60 3.36 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 57 R 7.69 3.49 0.00 1.21 1.65 0.00 2.78 0.00 0.00 2.80 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 58 R 7.41 3.33 0.00 1.02 0.66 0.00 2.96 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.09 0.00 59 V 7.21 3.44 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 1.12 0.00 0.00 0.12 0.00 0.00 60 Y 8.01 4.35 0.00 3.49 3.35 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 61 K 7.11 3.67 0.00 1.61 1.66 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.78 1.12 7.81 62 S 7.76 4.23 0.00 4.03 3.94 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 0.00 0.00 0.00 0.00 63 L 7.54 4.26 0.00 1.71 1.72 0.95 0.74 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 64 C 8.17 4.37 0.00 3.16 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 65 P 0.00 4.11 0.00 1.04 1.40 0.00 2.47 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.38 0.00 66 I 8.31 3.69 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.52 0.90 0.00 0.00 67 S 7.90 4.13 0.00 4.08 4.12 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 68 W 7.76 3.61 0.00 2.85 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 0.00 0.00 0.00 69 V 7.43 3.55 2.19 0.00 0.00 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 0.00 0.00 1.26 0.00 0.00 70 S 8.23 4.15 0.00 4.02 4.02 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 71 T 7.80 3.91 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 1.21 0.00 0.00 72 W 8.34 4.67 0.00 3.24 2.89 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 73 D 8.74 4.43 0.00 3.05 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 74 D 8.40 4.45 0.00 2.94 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 75 R 8.61 4.13 0.00 2.16 2.19 0.00 3.35 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.98 0.00 76 R 8.71 3.97 0.00 1.89 1.88 0.00 2.75 0.00 0.00 2.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.12 0.00 77 A 7.92 4.01 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 78 E 8.13 4.15 0.00 2.04 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 0.00 2.36 2.35 0.00 79 G 8.09 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 0.00 0.00 0.00 80 T 7.85 4.56 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 1.24 0.00 0.00 81 F 8.31 4.37 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 82 P 0.00 4.35 0.00 2.03 2.00 0.00 2.96 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 83 G 6.27 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.42 4.33 0.00 1.73 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.45 7.81 85 I 8.25 4.09 1.86 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.83 0.80 0.00 0.00