NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2968 8.2493 123.5817 51.0028 19.5791 176.5463 7 P 4.4589 0.0000 0.0000 60.7912 31.9423 175.5099 8 D 4.7471 8.7484 123.6584 52.2046 43.8083 177.4394 9 F 4.0023 8.7211 119.6568 62.2691 39.2284 177.0991 10 H 4.4606 8.1798 115.1937 58.9234 28.4001 177.4597 11 D 4.2941 8.8134 121.0931 57.2702 40.4762 179.0303 12 K 3.6054 7.4718 117.3492 58.9411 32.2714 178.2608 13 Y 4.7054 7.6728 114.6376 57.2180 38.9854 177.7598 14 G 4.0051 8.1547 108.3439 48.3304 0.0000 175.2184 15 N 4.3106 8.2478 118.5889 55.6941 38.5087 177.3165 16 A 3.9818 7.9200 121.4005 55.1495 18.6569 179.4519 17 V 3.5710 8.0200 117.0233 66.1430 31.5681 177.8697 18 L 3.9376 8.2751 119.8388 58.1504 41.9846 178.7381 19 A 4.0118 8.0827 120.7230 55.3948 18.4829 179.8820 20 S 4.3429 8.5940 112.8886 60.9869 63.1190 176.9637 21 G 3.6280 8.2222 109.6930 47.8096 0.0000 175.6209 22 A 4.0883 8.1679 123.9163 55.0019 18.4001 179.8844 23 T 3.8409 8.0718 114.2144 66.6678 68.4930 176.5877 24 F 4.3055 8.4023 122.4859 61.5322 39.4766 176.3318 25 C 3.9052 8.2131 118.1657 62.7562 31.3605 175.7635 26 V 3.6293 7.8627 119.2552 65.8634 31.1149 177.7796 27 A 4.0312 8.0992 120.6454 55.3503 18.2669 180.1243 28 V 3.6219 7.8638 117.6846 64.5904 31.3054 178.6216 29 W 3.9085 8.3884 119.8083 59.4781 29.0128 178.6777 30 V 3.6823 8.1343 118.3487 65.9748 30.9028 177.4857 31 Y 4.0726 8.2220 119.3130 60.9965 38.5058 177.6216 32 M 3.7923 8.1536 117.6721 58.6775 32.3762 177.7970 33 A 4.7461 8.4744 120.3322 54.3774 18.6783 178.0087 34 T 4.5695 7.8439 104.4279 61.4089 70.4429 174.6882 35 Q 4.4251 8.2251 119.9490 55.5944 29.3839 175.7316 36 I 4.2262 7.4199 110.0338 60.2018 37.9600 175.5835 37 G 3.7551 8.1807 107.3150 46.7642 0.0000 173.8156 38 I 3.5822 7.5517 120.2107 60.2274 37.6557 175.3828 39 E 4.2097 8.2105 126.4964 54.7950 29.3330 175.6935 40 W 4.1961 8.6806 127.1855 57.2761 30.2238 176.1339 41 N 4.1002 7.9155 115.5699 53.9427 36.6730 170.6841 42 P 4.6252 0.0000 0.0000 61.6370 33.1630 176.6659 43 S 4.2447 8.3033 113.2149 57.8205 62.7830 172.4673 44 P 4.3149 0.0000 0.0000 64.7225 31.5100 176.4245 45 V 3.6319 7.1980 118.4107 64.5853 31.3274 176.2456 46 G 4.0924 9.0779 116.0052 45.3282 0.0000 173.5796 47 R 4.4275 8.0175 114.6328 56.0672 31.3967 176.3273 48 V 4.1713 7.6104 117.2898 61.2137 32.9406 174.9261 49 T 4.3560 8.2679 123.7876 61.3111 68.4689 172.9732 50 P 4.2784 0.0000 0.0000 62.8553 31.8618 175.9053 51 K 4.6786 8.3347 123.0440 53.9323 34.7405 175.4128 52 E 4.1022 8.7960 124.2928 56.5891 29.8846 176.8740 53 W 4.6752 7.9848 118.7832 57.1377 30.5276 175.3954 54 R 3.2661 6.1298 122.2989 55.9547 29.2986 175.6914 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 A 8.25 4.30 1.28 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 7 P 0.00 4.46 0.00 2.19 2.04 0.00 3.35 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 8 D 8.75 4.75 0.00 2.97 2.92 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 9 F 8.72 4.00 0.00 3.25 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 10 H 8.18 4.46 0.00 3.39 3.42 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.81 4.29 0.00 2.73 2.65 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 12 K 7.47 3.61 0.00 0.79 0.74 0.00 1.36 0.00 0.00 1.40 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.18 1.43 7.81 13 Y 7.67 4.71 0.00 2.20 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 14 G 8.15 4.01 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 0.00 0.00 0.00 15 N 8.25 4.31 0.00 2.74 2.90 0.00 0.00 6.87 7.21 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 16 A 7.92 3.98 1.40 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 17 V 8.02 3.57 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.16 0.00 0.00 18 L 8.28 3.94 0.00 1.88 1.90 0.95 1.25 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 19 A 8.08 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.59 4.34 0.00 4.07 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 21 G 8.22 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 22 A 8.17 4.09 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 3.84 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 24 F 8.40 4.31 0.00 3.15 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.21 3.91 0.00 3.23 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 26 V 7.86 3.63 2.12 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 0.98 0.00 0.00 0.96 0.00 0.00 27 A 8.10 4.03 1.44 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 28 V 7.86 3.62 1.79 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 0.33 0.00 0.00 0.78 0.00 0.00 29 W 8.39 3.91 0.00 3.50 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 30 V 8.13 3.68 2.36 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Y 8.22 4.07 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 32 M 8.15 3.79 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 33 A 8.47 4.75 1.47 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 0.00 0.00 34 T 7.84 4.57 4.27 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 1.23 0.00 0.00 35 Q 8.23 4.43 0.00 1.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.10 0.00 0.00 0.00 0.00 0.00 2.25 2.58 0.00 36 I 7.42 4.23 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.57 0.00 0.00 37 G 8.18 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 0.00 0.00 0.00 38 I 7.55 3.58 1.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 -0.34 0.00 0.00 39 E 8.21 4.21 0.00 1.80 1.75 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 2.21 2.35 0.00 40 W 8.68 4.20 0.00 3.37 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 41 N 7.92 4.10 0.00 2.79 2.83 0.00 0.00 7.23 7.36 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 42 P 0.00 4.63 0.00 2.24 2.11 0.00 3.91 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 43 S 8.30 4.24 0.00 3.86 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 44 P 0.00 4.31 0.00 2.22 2.09 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.20 3.63 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.08 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 0.00 0.00 0.00 0.00 47 R 8.02 4.43 0.00 1.87 2.03 0.00 3.12 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 48 V 7.61 4.17 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.27 4.36 4.26 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 1.23 0.00 0.00 50 P 0.00 4.28 0.00 2.08 2.06 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.33 4.68 0.00 1.71 1.71 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.80 4.10 0.00 1.96 1.78 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 2.31 2.22 0.00 53 W 7.98 4.68 0.00 3.56 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 54 R 6.13 3.27 0.00 0.67 0.69 0.00 3.04 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.11 0.00