NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8745 8.3544 109.7362 45.7736 0.0000 173.1273 2 S 4.2790 7.9080 119.4837 56.7770 63.8882 172.7776 3 S 4.2152 8.8299 118.9314 60.5809 63.7025 174.9382 4 G 4.2436 7.2939 103.4921 44.9766 0.0000 172.3679 5 S 4.3362 7.9168 111.9205 58.4186 64.4801 175.2184 6 S 4.5073 8.7789 121.4152 60.6994 64.4293 174.7622 7 G 4.2769 7.4512 116.1748 45.5114 0.0000 174.9360 8 T 4.4810 8.1237 115.2029 58.9048 70.3936 172.8597 9 P 4.3292 0.0000 0.0000 61.9710 32.0255 175.9529 10 G 4.2149 7.3365 109.9699 44.8545 0.0000 171.0558 11 D 4.6515 7.7279 118.9034 52.9716 43.2206 175.3685 12 R 3.8049 8.5857 127.9825 57.6897 28.5392 177.2754 13 T 3.9601 8.0425 107.9392 65.5441 69.5715 173.7496 14 G 3.9188 7.5129 105.1896 43.7288 0.0000 173.0414 15 T 4.2754 8.2908 114.6361 64.2966 70.3122 175.4021 16 S 4.6732 7.6874 115.4094 56.9105 64.0248 173.8818 17 K 4.3033 8.6236 127.0839 56.0181 33.0861 175.7335 18 C 4.1522 7.9601 123.2556 60.1154 31.4208 173.6561 19 R 3.8409 8.7357 125.4722 59.1600 29.7312 177.2418 20 K 3.8261 7.6307 116.3398 56.7463 32.7118 176.2887 21 A 4.1075 8.6929 128.4538 55.2076 18.9041 179.0909 22 G 3.9452 7.7628 103.6283 45.6253 0.0000 173.7535 23 C 4.7488 7.6225 117.9729 57.4043 34.4798 173.6711 24 V 3.6018 8.6552 121.0135 64.4905 31.1813 176.2985 25 Y 4.1256 7.9320 116.3423 58.4886 39.0101 175.8628 26 F 4.6534 8.9901 119.0781 56.7064 41.0447 175.6259 27 G 4.8311 8.5445 108.5199 44.4550 0.0000 172.7235 28 T 4.9784 8.5664 108.8915 59.0236 71.8858 173.7430 29 P 4.2142 0.0000 0.0000 65.4906 31.4914 177.3835 30 E 4.0039 8.0507 119.7898 58.6729 29.8027 176.9843 31 N 4.1983 7.4734 114.0897 52.4592 38.3192 174.8808 32 K 3.7885 8.5343 115.1311 57.6707 30.4315 176.0259 33 G 4.2069 8.6474 111.4445 45.9853 0.0000 175.0491 34 F 4.2812 8.0386 118.1291 57.4646 39.6563 174.0315 35 C 4.8532 8.4105 117.3096 57.0352 32.6612 174.4373 36 T 3.9558 8.4494 116.6518 67.5303 68.2209 176.0263 37 L 3.9804 7.8960 120.1995 57.5644 41.6014 178.7895 38 C 3.9640 8.2210 115.6442 63.6450 27.9433 176.2878 39 F 4.1011 8.8722 122.1062 61.4805 39.0430 177.6456 40 I 3.3169 7.8088 119.1467 64.3664 36.7342 178.1789 41 E 3.8422 8.0460 117.3629 59.6167 29.4086 178.1988 42 Y 4.2513 7.9925 118.9685 60.8284 38.8046 178.4884 43 S 3.8842 7.1146 113.1417 60.3620 63.7529 175.2331 44 G 3.6477 7.0811 110.9498 43.7455 0.0000 171.4112 45 P 4.2918 0.0000 0.0000 62.4583 32.0411 175.9842 46 S 4.8633 8.3140 117.4634 57.0319 65.3068 173.7239 47 S 4.4926 8.0223 117.6895 57.9674 66.7261 174.6137 48 G 4.1725 8.7974 112.2142 46.1110 0.0000 173.3298 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 G 8.35 3.87 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 0.00 0.00 0.00 2 S 7.91 4.28 0.00 3.91 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 3 S 8.83 4.22 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.29 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 0.00 0.00 0.00 0.00 5 S 7.92 4.34 0.00 4.04 3.87 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 6 S 8.78 4.51 0.00 3.85 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 7 G 7.45 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 0.00 0.00 0.00 0.00 8 T 8.12 4.48 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 1.29 0.00 0.00 9 P 0.00 4.33 0.00 2.19 2.08 0.00 3.88 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 1.99 1.96 0.00 10 G 7.34 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 0.00 0.00 0.00 0.00 11 D 7.73 4.65 0.00 2.57 2.52 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 12 R 8.59 3.80 0.00 1.92 1.93 0.00 3.31 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 13 T 8.04 3.96 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 1.19 0.00 0.00 14 G 7.51 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 0.00 0.00 0.00 15 T 8.29 4.28 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 S 7.69 4.67 0.00 3.92 3.73 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 17 K 8.62 4.30 0.00 1.79 1.66 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.57 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.30 1.19 7.81 18 C 7.96 4.15 0.00 3.20 2.84 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 19 R 8.74 3.84 0.00 0.81 1.41 0.00 3.26 0.00 0.00 3.01 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.00 20 K 7.63 3.83 0.00 1.79 1.77 0.00 1.83 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.64 7.81 21 A 8.69 4.11 1.27 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 0.00 0.00 22 G 7.76 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 23 C 7.62 4.75 0.00 2.93 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 24 V 8.66 3.60 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.68 0.00 0.00 25 Y 7.93 4.13 0.00 2.97 2.98 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 26 F 8.99 4.65 0.00 2.95 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 27 G 8.54 4.83 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.57 4.98 4.18 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 1.29 0.00 0.00 29 P 0.00 4.21 0.00 2.17 2.20 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 30 E 8.05 4.00 0.00 1.94 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 2.13 2.22 0.00 31 N 7.47 4.20 0.00 2.97 2.74 0.00 0.00 7.20 7.32 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 32 K 8.53 3.79 0.00 2.01 1.95 0.00 1.63 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.41 1.44 7.81 33 G 8.65 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 0.00 0.00 0.00 0.00 34 F 8.04 4.28 0.00 3.36 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.41 4.85 0.00 3.34 3.20 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 0.00 36 T 8.45 3.96 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 37 L 7.90 3.98 0.00 1.54 1.54 -0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.22 3.96 0.00 3.24 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 39 F 8.87 4.10 0.00 3.16 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 40 I 7.81 3.32 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.70 0.84 0.00 0.00 41 E 8.05 3.84 0.00 2.06 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 0.00 2.29 2.31 0.00 42 Y 7.99 4.25 0.00 2.31 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 43 S 7.11 3.88 0.00 3.77 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.08 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 45 P 0.00 4.29 0.00 2.14 2.01 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 46 S 8.31 4.86 0.00 3.83 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 47 S 8.02 4.49 0.00 3.78 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 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