NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0918 7.9133 120.6521 62.7018 33.2143 173.6951 3 K 4.7991 8.6491 127.3001 53.9945 34.0335 170.4742 4 V 4.1701 8.9910 125.7401 61.4900 33.5162 173.9222 5 K 5.1025 8.5857 129.5352 54.9081 33.7359 174.9538 6 F 4.9367 8.3481 120.5780 56.0419 41.6835 172.4097 7 K 4.9781 8.7713 120.9937 54.9162 34.1651 174.8360 8 Y 4.6134 8.8801 127.6021 57.0087 41.7585 175.1038 9 K 3.6935 9.2174 126.8592 57.5787 29.7115 176.2451 10 G 3.8949 8.2480 103.9458 45.7653 0.0000 173.4941 11 E 4.5759 8.1054 120.6371 54.4762 31.0475 175.0560 12 E 4.4784 8.5350 123.3816 56.1562 30.5301 176.2467 13 K 4.6570 8.7368 122.5558 54.4346 36.9496 175.0125 14 E 5.1662 8.4473 119.4852 54.5574 32.6506 175.1762 15 V 4.4026 8.7119 122.3440 59.5742 34.7766 174.6455 16 D 4.8015 8.7144 124.6204 53.9827 42.0292 177.0725 17 T 3.7625 8.5122 116.5029 64.3997 68.8727 176.5103 18 S 4.1664 8.4410 116.3107 60.2668 63.0808 174.9442 19 K 4.4519 8.1307 119.7699 56.2391 32.6901 176.2024 20 I 4.5191 7.5465 120.8424 60.9483 37.7895 173.5910 21 K 4.4116 8.7430 121.8129 56.8541 34.0578 176.6975 22 K 4.5587 7.3503 121.0107 56.4489 34.4407 176.8335 23 V 5.1210 8.5404 123.2711 61.1079 34.6387 174.1536 24 W 5.3481 8.9993 123.6297 55.4628 32.2426 172.9812 25 R 4.8312 8.6952 120.6022 54.5792 31.4924 175.5328 26 V 4.0692 7.9176 125.4174 61.4190 34.1370 175.9261 27 G 3.9204 8.0973 118.8008 47.2083 0.0000 173.1755 28 K 4.5239 8.8015 123.7867 55.5423 32.1671 174.7955 29 F 5.5776 8.2534 114.6687 55.0559 41.9155 173.6219 30 V 4.6082 9.1346 119.4190 61.1759 33.7381 174.2516 31 S 4.8855 8.3241 122.8497 56.6045 65.3920 172.3888 32 F 4.9910 7.4927 118.8428 56.3955 41.6015 172.5742 33 T 5.3009 9.1761 109.9902 60.5132 72.0645 172.3580 34 Y 5.3493 8.3153 118.5254 55.9903 41.9062 173.4567 35 D 4.6778 9.0912 121.8555 53.5666 41.0035 177.0868 36 D 4.9432 8.9649 125.4324 54.2290 40.8930 175.2889 37 N 4.2599 9.1796 115.2072 52.6572 35.9522 175.1260 38 G 4.0172 9.4897 110.5201 45.7402 0.0000 170.7433 39 K 4.5409 7.5886 116.5189 55.6305 35.7753 174.9568 40 T 4.6402 8.2860 116.6311 62.2836 69.4991 175.2286 41 G 3.3466 8.1342 114.7744 45.0137 0.0000 172.0766 42 R 5.1094 7.7602 117.6992 54.4856 33.8567 175.0970 43 G 3.1846 7.6148 107.1001 45.4477 0.0000 171.6132 44 A 4.8710 7.3740 119.6513 50.8152 22.1036 176.1870 45 V 4.7064 8.8723 113.4392 59.2070 36.9125 175.5344 46 S 4.5595 8.6675 117.2415 58.2122 63.4021 175.0801 47 E 4.0131 9.0736 123.4899 59.2909 29.0862 179.4269 48 K 4.0947 8.0753 117.4916 59.0328 33.0056 177.7256 49 D 4.7016 7.6090 117.1586 53.1482 41.7246 176.4541 50 A 4.1601 7.1168 123.7966 50.9035 19.2263 175.9342 51 P 4.4298 0.0000 0.0000 62.1198 32.4148 177.1396 52 K 3.7969 8.8125 120.7118 60.0896 31.9041 178.6352 53 E 3.8808 8.0864 118.7724 59.0715 29.5616 178.4078 54 L 3.8874 7.8912 120.5915 57.9694 42.0614 178.9055 55 L 4.0073 7.8178 118.5409 57.8591 41.5745 179.0459 56 D 4.3566 8.3981 119.0869 57.3626 40.6362 178.6816 57 M 4.0729 7.9977 119.5498 58.0502 31.9141 178.5017 58 L 3.9354 8.0281 120.3511 58.1011 42.3155 178.7153 59 A 4.0195 8.1794 120.8744 55.4833 18.4194 179.8869 60 R 3.8844 8.2191 116.2182 59.3388 29.9037 179.2101 61 A 4.4340 8.0811 121.3554 54.6395 18.6257 179.2655 62 E 4.1101 8.4048 117.3412 59.5731 29.3106 179.7068 63 R 3.9896 7.8680 117.4422 59.0669 30.3085 178.4770 64 E 4.1146 8.1887 117.4381 57.9191 29.2139 177.1669 65 K 4.1468 7.7996 125.1049 56.3784 32.5426 175.2985 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 V 7.91 4.09 2.20 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 0.90 0.00 0.00 0.91 0.00 0.00 3 K 8.65 4.80 0.00 1.73 1.68 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.42 7.81 4 V 8.99 4.17 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 0.99 0.00 0.00 0.69 0.00 0.00 5 K 8.59 5.10 0.00 1.79 1.70 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.51 7.81 6 F 8.35 4.94 0.00 3.19 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 7 K 8.77 4.98 0.00 1.77 1.74 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 8 Y 8.88 4.61 0.00 3.37 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 9 K 9.22 3.69 0.00 2.02 1.86 0.00 1.91 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.14 1.33 7.81 10 G 8.25 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 0.00 0.00 0.00 11 E 8.11 4.58 0.00 2.26 1.87 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 2.27 2.30 0.00 12 E 8.54 4.48 0.00 1.80 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 0.00 2.26 2.24 0.00 13 K 8.74 4.66 0.00 0.79 1.18 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.14 1.17 7.81 14 E 8.45 5.17 0.00 1.85 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 2.07 2.17 0.00 15 V 8.71 4.40 1.71 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 0.85 0.00 0.00 0.72 0.00 0.00 16 D 8.71 4.80 0.00 2.76 2.56 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 17 T 8.51 3.76 4.16 0.00 0.00 0.00 0.00 0.00 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 18 S 8.44 4.17 0.00 4.00 4.08 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 0.00 0.00 0.00 0.00 19 K 8.13 4.45 0.00 1.97 1.99 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.58 7.81 20 I 7.55 4.52 1.91 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.86 0.00 0.00 21 K 8.74 4.41 0.00 1.69 1.68 0.00 1.74 0.00 0.00 2.07 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.61 7.81 22 K 7.35 4.56 0.00 2.12 2.09 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.49 7.81 23 V 8.54 5.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 24 W 9.00 5.35 0.00 3.35 3.23 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 0.00 25 R 8.70 4.83 0.00 1.83 1.86 0.00 3.16 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 26 V 7.92 4.07 0.67 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 0.83 0.00 0.00 0.78 0.00 0.00 27 G 8.10 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 28 K 8.80 4.52 0.00 1.90 1.86 0.00 1.65 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.43 7.81 29 F 8.25 5.58 0.00 3.16 3.02 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 30 V 9.13 4.61 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 1.00 0.00 0.00 0.94 0.00 0.00 31 S 8.32 4.89 0.00 3.51 2.63 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 32 F 7.49 4.99 0.00 3.08 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 33 T 9.18 5.30 4.31 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 1.43 0.00 0.00 34 Y 8.32 5.35 0.00 3.22 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 35 D 9.09 4.68 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.96 4.94 0.00 2.29 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.18 4.26 0.00 2.97 2.88 0.00 0.00 6.59 7.00 0.00 0.00 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 G 9.49 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 0.00 0.00 0.00 39 K 7.59 4.54 0.00 1.89 1.84 0.00 1.28 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.34 7.81 40 T 8.29 4.64 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 1.21 0.00 0.00 41 G 8.13 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 0.00 0.00 0.00 42 R 7.76 5.11 0.00 1.22 1.55 0.00 3.37 0.00 0.00 3.30 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 43 G 7.61 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 0.00 0.00 0.00 44 A 7.37 4.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.87 4.71 2.15 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 0.89 0.00 0.00 1.02 0.00 0.00 46 S 8.67 4.56 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 4.01 0.00 2.09 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 0.00 2.32 2.33 0.00 48 K 8.08 4.09 0.00 1.96 1.95 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.54 7.81 49 D 7.61 4.70 0.00 2.72 2.77 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 0.00 0.00 0.00 50 A 7.12 4.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.43 0.00 2.19 2.17 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.90 0.00 52 K 8.81 3.80 0.00 1.83 1.85 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.51 7.81 53 E 8.09 3.88 0.00 2.04 1.88 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 2.34 2.34 0.00 54 L 7.89 3.89 0.00 1.65 1.69 0.56 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.82 4.01 0.00 1.86 1.70 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.40 4.36 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.00 4.07 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.52 0.00 58 L 8.03 3.94 0.00 1.76 1.86 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.18 4.02 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 60 R 8.22 3.88 0.00 2.03 2.00 0.00 3.14 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 1.84 0.00 61 A 8.08 4.43 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 62 E 8.40 4.11 0.00 2.18 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 2.37 2.59 0.00 63 R 7.87 3.99 0.00 1.94 2.00 0.00 3.18 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 64 E 8.19 4.11 0.00 2.21 2.01 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 2.34 2.63 0.00 65 K 7.80 4.15 0.00 1.65 1.61 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.37 7.81