NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8322 8.3249 119.3389 57.4182 39.6365 173.8283 2 L 4.5242 8.0957 126.3218 52.6736 43.4206 176.5140 3 D 4.4701 9.0350 122.9938 57.4342 41.8402 178.8383 4 G 3.6382 8.3581 105.4925 47.5952 0.0000 175.1507 5 I 3.5073 7.8251 122.1182 64.4588 36.8014 177.8780 6 D 4.3488 8.6271 119.9789 57.2354 40.9279 178.4222 7 K 4.1041 8.0020 119.7936 59.4366 32.0753 178.6650 8 A 3.9298 7.6648 120.5733 55.1747 18.1223 179.3785 9 Q 3.9346 7.7679 116.0680 59.1907 28.5329 178.8768 10 E 4.0257 7.7828 118.1903 59.0689 29.8243 178.3522 11 E 4.4981 7.9184 116.2680 56.3529 29.7622 177.3103 12 C 4.0479 7.9221 121.3085 62.9068 31.2674 175.2459 13 E 3.9241 8.1653 119.0122 59.1707 29.3105 178.1682 14 K 3.8421 7.8903 118.7594 59.4597 32.5626 177.7867 15 Y 4.0955 7.9768 115.0832 58.3900 38.4266 176.1501 16 H 3.8387 8.3942 117.1909 57.5040 27.7155 176.0632 17 S 4.5890 8.8586 121.3873 59.9927 62.6508 174.7169 18 N 4.7128 8.1476 119.3511 52.8270 36.6079 175.5868 19 W 4.3628 8.0789 119.8144 59.1864 28.6458 178.6690 20 R 3.0548 6.4988 118.4692 58.7694 29.4587 178.6185 21 A 3.9541 7.6466 120.0454 55.2630 18.4479 179.1784 22 M 3.4180 7.6409 115.1598 58.4830 32.2037 178.2062 23 A 4.0955 8.3209 121.1737 55.4375 18.3222 179.8308 24 S 4.1163 7.6440 112.7206 61.8264 62.9540 176.3766 25 D 4.3910 7.8124 120.5015 56.7493 40.6887 177.8914 26 F 4.3472 8.3514 115.0802 56.1214 40.1023 175.2284 27 N 4.2426 8.2929 115.9397 54.5566 36.5579 173.8741 28 L 4.8696 7.6149 115.2322 51.8969 45.2200 175.3948 29 P 4.5254 0.0000 0.0000 61.8725 32.2025 175.6450 30 P 4.2739 0.0000 0.0000 65.7408 31.1569 178.9579 31 V 3.4689 7.7037 116.7634 66.1169 31.4551 178.0867 32 V 3.6241 7.8006 117.6313 65.6325 31.2432 177.7683 33 A 3.9865 7.9260 120.0598 55.2937 18.3279 179.5530 34 K 3.5199 8.0814 117.3027 59.4304 32.0527 179.1918 35 E 3.8716 7.9990 119.3469 59.2971 29.5381 178.8904 36 I 3.6619 7.9747 120.1231 64.3882 36.9047 178.6160 37 V 3.5947 7.3807 118.0610 65.8560 31.4835 177.7661 38 A 4.0766 8.1248 119.6551 54.5296 18.1708 178.9179 39 S 4.3910 7.5526 112.6508 59.3370 64.0671 174.8667 40 C 4.1921 7.5765 122.3018 59.6548 31.7879 174.1587 41 D 4.3742 8.6310 126.4587 56.8943 40.6327 178.8361 42 K 4.1856 7.8990 118.1781 59.3109 32.4406 178.1569 43 C 4.4744 7.8162 113.0492 60.0332 28.4372 174.9720 44 Q 4.0514 7.4432 121.9938 58.1307 29.1875 176.1378 45 L 4.4242 7.2799 118.2204 53.2575 42.9387 176.2218 46 K 4.1613 8.6521 124.5521 57.0639 33.6762 177.9275 47 G 3.7901 8.5013 114.9570 47.0878 0.0000 171.2241 48 E 4.0647 9.2658 124.6881 57.0905 27.9159 177.1944 49 A 4.2805 8.3457 135.0000 53.6652 24.2209 180.2971 50 M 3.9997 8.8801 117.1423 58.5720 32.3747 175.5989 51 H 4.4652 7.5614 120.4538 55.6440 30.0656 174.4263 52 G 3.8117 7.5670 114.5588 45.8167 0.0000 171.0898 53 Q 4.2326 8.6948 119.6898 55.1346 28.8507 176.1776 54 V 4.5008 8.0616 122.1735 60.2003 34.3874 174.8225 55 D 4.2640 8.5163 122.5851 54.7006 41.7895 175.0068 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 F 8.32 4.83 0.00 3.14 3.07 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 2 L 8.10 4.52 0.00 1.83 1.62 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 3 D 9.03 4.47 0.00 2.72 2.74 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 4 G 8.36 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 3.51 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 0.84 0.00 0.00 6 D 8.63 4.35 0.00 2.67 2.73 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 7 K 8.00 4.10 0.00 1.94 2.10 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.55 7.81 8 A 7.66 3.93 0.44 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 9 Q 7.77 3.93 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 10 E 7.78 4.03 0.00 2.18 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 0.00 2.37 2.53 0.00 11 E 7.92 4.50 0.00 2.26 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 0.00 2.37 2.42 0.00 12 C 7.92 4.05 0.00 3.08 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 13 E 8.17 3.92 0.00 2.02 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 0.00 2.31 2.41 0.00 14 K 7.89 3.84 0.00 1.68 1.78 0.00 1.72 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.87 1.26 7.81 15 Y 7.98 4.10 0.00 3.12 3.22 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 0.00 16 H 8.39 3.84 0.00 3.36 2.96 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.86 4.59 0.00 3.92 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 18 N 8.15 4.71 0.00 3.12 2.76 0.00 0.00 6.76 7.71 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 19 W 8.08 4.36 0.00 3.65 3.36 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 0.00 20 R 6.50 3.05 0.00 1.26 1.49 0.00 2.68 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 21 A 7.65 3.95 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 22 M 7.64 3.42 0.00 2.19 1.59 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 23 A 8.32 4.10 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.12 0.00 3.96 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 25 D 7.81 4.39 0.00 2.70 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.35 0.00 2.98 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 27 N 8.29 4.24 0.00 2.82 2.87 0.00 0.00 6.72 7.42 0.00 0.00 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 L 7.61 4.87 0.00 1.66 1.58 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.53 0.00 2.22 2.18 0.00 3.73 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 1.94 0.00 30 P 0.00 4.27 0.00 2.11 2.01 0.00 3.67 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 2.23 2.50 0.00 31 V 7.70 3.47 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 1.04 0.00 0.00 0.92 0.00 0.00 32 V 7.80 3.62 2.10 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 0.98 0.00 0.00 1.02 0.00 0.00 33 A 7.93 3.99 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.08 3.52 0.00 1.58 1.57 0.00 1.32 0.00 0.00 1.22 0.00 0.00 2.29 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.46 0.58 7.81 35 E 8.00 3.87 0.00 2.12 2.05 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 2.26 2.46 0.00 36 I 7.97 3.66 1.99 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.86 0.00 0.00 37 V 7.38 3.59 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 0.77 0.00 0.00 1.07 0.00 0.00 38 A 8.12 4.08 1.31 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 39 S 7.55 4.39 0.00 3.98 3.90 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 40 C 7.58 4.19 0.00 2.99 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 41 D 8.63 4.37 0.00 2.69 2.71 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 0.00 0.00 0.00 0.00 42 K 7.90 4.19 0.00 1.75 1.89 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 43 C 7.82 4.47 0.00 2.97 3.01 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 44 Q 7.44 4.05 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 45 L 7.28 4.42 0.00 1.68 1.58 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.65 4.16 0.00 1.74 1.73 0.00 1.96 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.47 7.81 47 G 8.50 3.79 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 0.00 0.00 0.00 48 E 9.27 4.06 0.00 1.99 1.63 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 2.31 2.31 0.00 49 A 8.35 4.28 1.10 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 0.00 0.00 50 M 8.88 4.00 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 51 H 7.56 4.47 0.00 3.27 3.27 0.00 6.02 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 7.57 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 53 Q 8.69 4.23 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.61 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 54 V 8.06 4.50 2.07 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 0.81 0.00 0.00 0.93 0.00 0.00 55 D 8.52 4.26 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00