NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4336 8.2931 120.3481 55.5029 32.1554 173.8912 2 G 3.8276 8.1604 113.5848 42.3113 0.0000 168.3425 3 K 4.3815 8.4206 126.3184 55.0112 35.7447 174.9981 4 A 4.6093 8.2537 123.5787 50.8202 18.2381 175.9917 5 T 4.9339 7.9632 109.6526 60.7563 72.5668 173.3236 6 Y 4.6355 8.4196 118.5282 56.5803 42.5438 174.7840 7 T 4.9486 8.5799 119.2875 62.0460 70.9344 173.5537 8 V 4.3267 8.6598 127.9371 61.5763 33.3630 174.5019 9 T 4.9859 8.5985 124.7524 61.7878 70.6397 173.7812 10 V 4.4532 9.5363 127.7422 61.3697 34.3013 174.4236 11 T 5.1347 8.4044 123.1326 62.0089 73.1769 172.3265 12 N 5.1578 9.8554 123.2764 52.0805 39.7553 175.9921 13 N 4.7586 8.9788 121.5597 54.9145 39.3652 176.5453 14 S 4.3293 8.0649 112.4073 59.9551 63.4240 174.3414 15 N 4.6806 8.0956 116.9832 52.1145 39.9934 175.0542 16 G 3.9791 8.4606 105.2071 46.7593 0.0000 173.1919 17 V 4.1413 7.2267 121.1877 61.5583 32.5590 174.9798 18 S 5.1498 8.4284 122.3910 56.2875 65.4147 173.9269 19 V 4.4470 8.7338 121.7085 62.0507 34.9948 172.5630 20 D 5.4937 8.9148 127.1792 52.8708 44.1989 175.0689 21 Y 4.5675 9.0514 119.3144 56.3558 42.4690 173.7906 22 E 4.7855 8.7990 125.6351 55.4832 30.6318 175.2440 23 T 4.6257 9.4027 122.6669 60.3646 70.7113 172.8633 24 E 4.7457 9.0791 128.2803 55.2021 28.8741 175.0485 25 T 4.5276 7.9940 114.6272 59.0922 71.2994 171.1973 26 P 4.1132 0.0000 0.0000 64.8264 31.1270 177.8964 27 M 4.1177 8.6309 120.4416 57.5426 33.2390 178.6716 28 T 4.0824 7.9575 115.1393 66.2360 68.8876 176.1053 29 L 3.9068 7.2969 120.0821 57.6404 41.6571 178.6601 30 L 4.0821 8.0378 117.9718 57.0032 42.0295 178.6149 31 V 3.6804 7.2977 119.3987 62.3610 32.1824 174.9584 32 P 4.2415 0.0000 0.0000 66.1323 31.6963 178.5212 33 E 4.3875 8.1558 118.1537 58.9132 29.3227 179.4288 34 V 3.6228 7.6629 117.3891 65.6759 31.7686 177.7845 35 A 3.9510 8.2738 120.7349 55.0155 18.1403 179.3862 36 A 3.9731 9.2811 119.5519 55.4672 18.4402 179.5221 37 E 3.6836 8.0232 117.2804 59.1938 29.6258 179.3110 38 V 3.6873 8.1371 118.7820 66.0741 31.6668 178.0714 39 I 3.6734 8.4076 120.4884 64.3129 36.3610 178.4621 40 K 3.9424 8.7460 121.1445 59.3366 31.9958 178.2959 41 D 4.4925 8.7634 119.4952 57.1768 41.1040 178.3414 42 L 3.5798 8.2551 119.5747 57.6804 41.6945 179.6098 43 V 3.5562 7.8207 118.1060 66.2374 31.5165 177.6351 44 N 4.4626 9.3924 116.5593 56.8137 37.8030 177.5751 45 T 3.9164 7.9237 117.1369 66.4115 67.2566 177.0639 46 V 3.6187 8.1213 120.6120 66.2317 31.5822 178.3797 47 R 4.2329 8.6398 117.8911 58.8383 29.6414 178.6888 48 S 4.0221 7.7510 112.7099 61.6639 62.3557 175.3850 49 Y 4.0156 7.6351 119.9516 59.9186 38.5425 176.8918 50 D 4.6082 7.3146 119.0861 56.4667 41.7945 176.6496 51 T 4.0766 7.3694 108.2624 62.0727 69.9748 173.4351 52 E 4.0816 8.8130 127.7428 56.3823 28.8072 174.5528 53 N 4.5462 7.2525 112.8670 51.9054 40.7408 176.0888 54 E 3.4660 9.0355 109.5747 58.1651 27.5190 173.6412 55 H 4.5469 8.2991 127.7078 56.8818 30.6827 174.1483 56 D 4.6860 8.1436 123.8189 51.9575 40.6177 176.5092 57 V 3.7143 7.9659 120.1428 62.3510 31.2648 174.1251 58 C 4.7746 8.1314 123.2368 59.9757 38.8284 174.8310 59 G 4.0454 8.2952 110.5886 48.5432 0.0000 172.6647 60 W 4.4460 8.4329 133.3831 57.3036 30.5209 175.4458 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 M 8.29 4.43 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 G 8.16 3.83 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 3 K 8.42 4.38 0.00 1.75 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.35 7.81 4 A 8.25 4.61 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 5 T 7.96 4.93 4.29 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 1.24 0.00 0.00 6 Y 8.42 4.64 0.00 3.02 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 7 T 8.58 4.95 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 1.23 0.00 0.00 8 V 8.66 4.33 2.17 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 1.16 0.00 0.00 1.05 0.00 0.00 9 T 8.60 4.99 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 1.37 0.00 0.00 10 V 9.54 4.45 2.06 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 1.15 0.00 0.00 0.93 0.00 0.00 11 T 8.40 5.13 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 12 N 9.86 5.16 0.00 2.73 2.75 0.00 0.00 7.01 6.82 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 13 N 8.98 4.76 0.00 2.72 2.87 0.00 0.00 7.18 7.57 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 14 S 8.06 4.33 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.68 0.00 2.82 2.82 0.00 0.00 7.16 8.83 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 16 G 8.46 3.98 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 0.00 0.00 0.00 17 V 7.23 4.14 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 0.91 0.00 0.00 1.01 0.00 0.00 18 S 8.43 5.15 0.00 3.86 3.80 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 19 V 8.73 4.45 2.18 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 1.06 0.00 0.00 0.89 0.00 0.00 20 D 8.91 5.49 0.00 2.57 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 21 Y 9.05 4.57 0.00 2.83 2.83 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 22 E 8.80 4.79 0.00 1.97 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 2.27 2.32 0.00 23 T 9.40 4.63 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 1.29 0.00 0.00 24 E 9.08 4.75 0.00 2.36 2.03 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 2.27 2.32 0.00 25 T 7.99 4.53 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 1.20 0.00 0.00 26 P 0.00 4.11 0.00 2.22 2.10 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 27 M 8.63 4.12 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 28 T 7.96 4.08 4.19 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 0.00 0.00 0.00 1.19 0.00 0.00 29 L 7.30 3.91 0.00 1.58 1.53 -0.53 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.04 4.08 0.00 1.61 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.30 3.68 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 1.19 0.00 0.00 0.98 0.00 0.00 32 P 0.00 4.24 0.00 2.29 2.27 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 33 E 8.16 4.39 0.00 2.02 2.04 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 2.40 2.37 0.00 34 V 7.66 3.62 2.21 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 1.06 0.00 0.00 0.92 0.00 0.00 35 A 8.27 3.95 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 36 A 9.28 3.97 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 37 E 8.02 3.68 0.00 2.31 1.96 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 2.31 2.47 0.00 38 V 8.14 3.69 2.32 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 0.74 0.00 0.00 0.96 0.00 0.00 39 I 8.41 3.67 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.67 0.91 0.00 0.00 40 K 8.75 3.94 0.00 1.76 2.04 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.61 7.81 41 D 8.76 4.49 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 42 L 8.26 3.58 0.00 1.82 1.61 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.82 3.56 2.24 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 0.94 0.00 0.00 0.97 0.00 0.00 44 N 9.39 4.46 0.00 3.05 2.85 0.00 0.00 7.37 7.08 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 45 T 7.92 3.92 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 1.34 0.00 0.00 46 V 8.12 3.62 2.22 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 1.14 0.00 0.00 0.95 0.00 0.00 47 R 8.64 4.23 0.00 1.85 1.95 0.00 3.50 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 48 S 7.75 4.02 0.00 4.11 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 49 Y 7.64 4.02 0.00 2.98 2.99 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 0.00 0.00 0.00 50 D 7.31 4.61 0.00 2.90 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 51 T 7.37 4.08 3.99 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 0.00 0.00 0.96 0.00 0.00 52 E 8.81 4.08 0.00 2.03 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 0.00 2.08 2.24 0.00 53 N 7.25 4.55 0.00 2.48 2.49 0.00 0.00 6.95 7.54 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 54 E 9.04 3.47 0.00 2.12 2.21 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 2.25 2.43 0.00 55 H 8.30 4.55 0.00 3.29 3.41 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.14 4.69 0.00 2.79 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 57 V 7.97 3.71 1.96 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 0.66 0.00 0.00 0.95 0.00 0.00 58 C 8.13 4.77 0.00 2.90 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 59 G 8.30 4.05 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 0.00 0.00 0.00 60 W 8.43 4.45 0.00 3.44 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