NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0674 8.3393 108.0202 46.2751 0.0000 172.8264 2 E 4.7004 8.7952 121.5475 54.1140 32.9634 172.3915 3 D 4.7183 9.4773 117.3363 51.8747 45.7372 177.7936 4 G 3.7578 6.0351 106.6373 45.1204 0.0000 170.6473 5 Y 5.1377 7.6763 118.2103 56.0044 38.6588 175.5642 6 I 4.2596 8.4350 125.0668 61.8478 39.2934 174.2344 7 A 5.0878 8.4602 127.8811 51.0599 23.1635 175.4941 8 D 4.7313 8.9515 119.9970 52.2287 40.9888 177.6964 9 G 3.8160 8.5908 104.5898 46.8602 0.0000 173.5949 10 D 4.7709 8.8702 119.0536 53.2592 41.4220 175.8333 11 N 4.3448 8.0772 116.4510 55.1199 37.8496 172.7153 12 C 4.9145 8.1378 112.9967 54.8111 42.9054 174.6691 13 T 4.9118 8.0396 113.7965 60.4831 70.2725 172.7778 14 Y 4.7204 8.3506 118.2336 56.0189 40.3283 175.7952 15 I 4.4813 8.6455 126.1122 61.7609 37.9071 174.1664 16 C 5.2512 9.3943 120.9905 54.8715 44.9436 173.4763 17 T 4.4779 8.8068 111.2187 63.7637 72.9250 175.0949 18 F 5.1107 8.1103 118.7207 55.5658 42.9663 176.4473 19 N 4.6544 8.8314 118.8426 56.2899 38.2677 177.2609 20 N 4.3516 8.3773 118.3255 57.0548 38.9558 176.1452 21 Y 4.2044 8.1902 120.3230 60.7730 38.9805 178.2419 22 C 4.0241 7.9609 116.3996 59.9972 41.2240 175.4121 23 H 4.1404 8.7503 120.1498 59.1774 29.3075 177.0849 24 A 3.9698 7.6904 123.9894 54.3540 18.0782 178.9373 25 L 3.6449 7.0681 117.7952 58.6618 42.2033 178.5402 26 C 4.2231 8.0146 116.1081 60.2747 35.8830 176.1047 27 T 3.5216 7.7839 111.1207 65.0636 67.9535 175.4046 28 D 4.5860 8.7019 119.9854 55.3139 40.4195 176.8526 29 K 4.3777 8.4352 120.1547 55.6866 32.7471 177.1685 30 K 3.8322 8.2042 116.2412 56.9970 29.9007 176.4117 31 G 4.0815 7.0799 108.5492 44.3923 0.0000 174.5005 32 D 4.5806 8.8170 120.5307 57.0998 41.3983 176.5980 33 S 4.5400 7.5970 110.5733 58.1252 66.4730 172.7874 34 G 4.5459 8.5320 103.9782 45.8312 0.0000 172.4353 35 A 5.0061 9.0077 122.6928 50.2782 23.5758 173.9504 36 C 4.9957 9.7890 120.2694 55.5117 39.2257 172.6230 37 D 4.6478 8.9489 126.7232 52.3638 41.3957 176.8667 38 W 3.8946 8.4089 127.2132 58.2867 29.1510 176.5326 39 W 5.0198 7.4295 117.6236 54.7986 28.6095 174.8244 40 V 4.5007 7.9890 121.8844 60.2402 34.4111 174.3497 41 P 4.2634 0.0000 0.0000 64.2198 31.1293 176.8174 42 Y 4.6491 7.3422 114.3540 57.3947 39.1901 176.1327 43 G 3.8067 8.0136 106.8602 44.0515 0.0000 173.8817 44 V 4.8070 8.1546 122.0020 60.0847 32.4989 175.8254 45 V 5.7532 7.9380 118.1822 58.5469 36.3690 175.5299 46 C 5.1962 8.8747 118.5196 56.7251 40.5821 172.8147 47 W 5.2208 9.2595 131.7755 55.9262 33.0775 173.4076 48 C 5.1052 8.0339 123.8381 54.9484 41.6056 172.1700 49 E 4.1562 8.4424 122.7938 54.4429 31.7141 175.6563 50 D 4.4145 8.5154 126.9149 55.1889 38.6839 173.6440 51 L 4.3152 7.6486 120.9954 53.5017 43.6027 174.1876 52 P 4.6459 0.0000 0.0000 62.5946 31.8975 177.7020 53 T 3.9444 8.4305 117.9980 65.9680 68.6619 174.0152 54 P 4.3151 0.0000 0.0000 65.0917 31.5612 177.0935 55 V 3.8458 7.3778 117.5776 61.8172 32.3354 173.8195 56 P 4.7797 0.0000 0.0000 62.1804 32.8218 175.0022 57 I 4.9580 7.9757 114.5631 58.5915 40.5924 175.1279 58 R 4.1005 8.9178 124.8689 57.0577 30.5200 175.7079 59 G 4.3112 8.8644 113.3678 43.0654 0.0000 172.2214 60 S 4.1839 8.5010 113.7910 59.1964 63.4195 172.9852 61 G 3.7557 8.4184 107.5149 44.2967 0.0000 173.1008 62 K 4.4077 8.3640 118.2669 55.3335 33.4996 176.5470 63 C 4.9857 8.7772 121.2432 54.4565 44.7398 173.7681 64 R 4.2161 8.5920 122.8568 56.3064 29.0338 175.3020 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 8.34 4.07 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 0.00 0.00 0.00 2 E 8.80 4.70 0.00 2.05 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 2.30 2.25 0.00 3 D 9.48 4.72 0.00 2.67 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 4 G 6.04 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 5 Y 7.68 5.14 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 4.26 1.76 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 1.25 1.31 0.82 0.00 0.00 7 A 8.46 5.09 1.25 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 0.00 0.00 8 D 8.95 4.73 0.00 2.92 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 9 G 8.59 3.82 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 0.00 0.00 0.00 10 D 8.87 4.77 0.00 2.87 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 11 N 8.08 4.34 0.00 2.99 3.00 0.00 0.00 7.01 6.93 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 12 C 8.14 4.91 0.00 3.18 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.04 4.91 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 14 Y 8.35 4.72 0.00 3.01 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 4.48 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.38 0.93 0.00 0.00 16 C 9.39 5.25 0.00 3.18 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 17 T 8.81 4.48 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 0.30 0.00 0.00 18 F 8.11 5.11 0.00 3.21 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.83 4.65 0.00 2.79 2.91 0.00 0.00 6.62 6.92 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 20 N 8.38 4.35 0.00 2.92 2.89 0.00 0.00 6.88 7.56 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 21 Y 8.19 4.20 0.00 3.17 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 22 C 7.96 4.02 0.00 3.30 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 23 H 8.75 4.14 0.00 3.45 3.32 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.69 3.97 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 25 L 7.07 3.64 0.00 1.06 1.41 0.46 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.01 4.22 0.00 3.01 2.94 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 27 T 7.78 3.52 4.13 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 0.00 0.00 0.00 1.04 0.00 0.00 28 D 8.70 4.59 0.00 2.71 2.69 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 29 K 8.44 4.38 0.00 1.69 1.64 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.36 7.81 30 K 8.20 3.83 0.00 1.85 1.89 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.47 7.81 31 G 7.08 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 0.00 0.00 0.00 32 D 8.82 4.58 0.00 2.65 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 33 S 7.60 4.54 0.00 4.00 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 34 G 8.53 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.01 5.01 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 36 C 9.79 5.00 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 37 D 8.95 4.65 0.00 2.96 2.68 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 38 W 8.41 3.89 0.00 2.18 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 39 W 7.43 5.02 0.00 3.36 3.11 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 0.00 0.00 0.00 0.00 40 V 7.99 4.50 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 0.75 0.00 0.00 0.89 0.00 0.00 41 P 0.00 4.26 0.00 1.05 1.78 0.00 3.02 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 42 Y 7.34 4.65 0.00 2.86 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 43 G 8.01 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 44 V 8.15 4.81 1.92 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 1.08 0.00 0.00 1.09 0.00 0.00 45 V 7.94 5.75 2.26 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 1.00 0.00 0.00 0.80 0.00 0.00 46 C 8.87 5.20 0.00 2.98 3.04 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 47 W 9.26 5.22 0.00 3.57 3.08 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 48 C 8.03 5.11 0.00 2.50 2.61 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 49 E 8.44 4.16 0.00 1.85 1.68 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 2.16 2.54 0.00 50 D 8.52 4.41 0.00 2.92 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 51 L 7.65 4.32 0.00 1.49 1.35 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.65 0.00 2.17 1.91 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 53 T 8.43 3.94 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 1.19 0.00 0.00 54 P 0.00 4.32 0.00 2.01 2.09 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 55 V 7.38 3.85 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 0.71 0.00 0.00 0.88 0.00 0.00 56 P 0.00 4.78 0.00 2.12 1.94 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 57 I 7.98 4.96 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.83 0.00 0.00 58 R 8.92 4.10 0.00 1.66 1.80 0.00 3.31 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.34 0.00 59 G 8.86 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 0.00 0.00 0.00 0.00 60 S 8.50 4.18 0.00 4.04 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 61 G 8.42 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 62 K 8.36 4.41 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 63 C 8.78 4.99 0.00 3.04 2.97 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 0.00 0.00 0.00 0.00 64 R 8.59 4.22 0.00 1.90 1.83 0.00 3.14 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.68 0.00