NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8900 8.3501 109.7375 45.3458 0.0000 172.0992 2 A 4.5623 8.1158 120.5788 48.5794 21.2932 174.8365 3 M 4.1745 8.8823 123.2815 55.8560 33.7574 171.9175 4 G 3.9653 8.6157 115.9930 44.1457 0.0000 172.4204 5 P 4.2770 0.0000 0.0000 64.2549 32.0489 176.2065 6 R 4.6523 7.9666 116.3422 54.3119 31.2299 174.7791 7 E 5.6016 9.0812 122.5307 53.6141 31.8974 175.4911 8 V 4.4887 8.5170 124.2737 60.1783 33.7089 174.6626 9 T 5.2665 8.3891 115.1869 58.8824 71.0676 173.2952 10 M 4.4367 9.0001 126.5598 54.6444 33.7493 174.9184 11 K 4.7758 8.5718 124.5563 53.9637 34.9421 174.5446 12 K 4.1051 8.8922 128.3461 59.5684 31.9511 175.9048 13 G 3.9489 9.3573 115.2805 45.2129 0.0000 171.3690 14 D 5.0327 8.2908 118.9081 52.1155 44.0672 174.9105 15 I 4.6803 8.2958 125.5720 60.2412 38.2427 175.0479 16 L 4.7803 8.3175 126.2042 52.7579 45.4408 175.9659 17 T 3.8779 8.7493 119.2849 63.6648 69.2616 174.1654 18 L 4.2604 8.6013 130.7115 54.8442 38.8846 175.7222 19 L 4.0668 7.7201 121.7786 54.0340 43.3605 175.8714 20 N 4.0890 8.6588 117.2946 53.9038 39.0560 175.4490 21 S 4.3384 8.1754 117.2207 58.2098 63.4141 175.4554 22 T 3.9798 7.8202 116.4449 65.6576 67.2468 173.7383 23 N 4.6243 8.2720 117.2889 53.7842 39.2164 175.0821 24 K 4.4207 8.8025 120.4570 58.5756 33.2457 177.5764 25 D 4.6655 8.1487 116.0244 54.3666 41.3841 175.7074 26 W 5.0365 8.0208 119.3720 55.4419 33.4850 173.8971 27 W 5.0325 9.7027 126.1321 54.5351 30.3886 175.5802 28 K 4.1386 8.5518 127.2625 56.7821 32.7715 176.0985 29 V 4.9982 8.3426 118.9989 59.3331 36.2260 174.1763 30 E 4.4398 8.7154 125.2033 55.5378 31.5963 176.2485 31 V 3.9017 8.6564 123.1391 62.0896 32.2127 173.1400 32 N 4.4947 9.1340 122.1777 53.0611 37.3503 174.3104 33 D 4.7647 7.7533 115.7628 53.4920 43.6718 175.4557 34 R 4.6362 8.5450 118.2999 55.1620 32.5667 174.7679 35 Q 4.9824 8.3732 120.6283 53.8449 32.6401 174.3714 36 G 3.9471 7.4950 107.8481 45.3238 0.0000 172.1716 37 F 4.7821 8.1649 119.7489 57.1804 39.5378 176.2230 38 V 4.5411 8.5175 115.0071 58.4737 36.5894 173.0554 39 P 3.9161 0.0000 0.0000 61.7321 31.6627 177.1555 40 A 4.0268 8.6777 127.9990 54.4392 18.4051 178.9144 41 A 4.0201 7.7265 117.5398 54.7597 18.7406 177.8031 42 Y 3.9400 8.5857 112.8732 58.4899 38.5547 175.0052 43 V 4.9247 6.8292 111.8647 59.5138 36.1378 174.8979 44 K 4.2016 8.4805 118.6045 55.3290 36.0016 174.5832 45 K 4.4536 9.1780 127.1029 57.4926 32.7379 176.4219 46 L 4.6855 7.9538 123.1021 53.3329 44.5443 175.2816 47 D 4.8134 8.5339 118.8568 53.1662 42.6422 174.4017 48 S 4.5021 9.5808 116.6391 59.6112 64.9253 173.1044 49 G 3.5828 8.5342 112.9897 46.0056 0.0000 174.5089 50 T 3.8693 7.8533 110.8742 65.2699 68.4530 174.6611 51 G 4.1010 8.2852 109.0756 45.0955 0.0000 173.6910 52 K 4.2752 7.5077 118.6047 55.9597 33.0436 177.1512 53 E 4.6914 8.3972 119.3400 54.2250 30.4107 175.2418 54 L 5.1237 8.0556 123.3945 53.8794 44.8675 176.2885 55 V 4.5236 8.0346 111.9269 60.0123 36.0077 174.3577 56 L 4.3877 8.6854 127.9610 55.0120 43.6763 176.0170 57 A 4.4182 8.6139 127.2503 50.7826 18.8651 177.9138 58 L 3.8516 8.7009 123.1711 58.1140 42.1897 177.0408 59 Y 5.1585 7.3248 113.5469 55.8768 41.8898 174.6088 60 D 5.2818 8.7706 119.9168 52.9825 40.9209 175.1536 61 Y 4.9101 9.3135 122.3118 56.2322 43.4181 173.5482 62 Q 4.6164 6.9324 122.6475 54.6739 32.1667 173.0584 63 E 4.8865 9.6344 128.0476 54.6579 32.5125 174.7416 64 S 4.4583 8.6926 122.1464 57.4516 64.3833 169.4638 65 G 3.8528 8.5288 120.6189 44.7641 0.0000 170.2199 66 D 4.5016 8.4336 125.8461 53.8753 41.2543 175.5841 67 N 5.1988 8.8277 122.7431 51.0153 42.4301 174.0249 68 A 3.2585 8.2981 124.3986 50.5834 19.3657 177.1534 69 P 3.1312 0.0000 0.0000 62.5858 28.7259 176.3409 70 S 4.1292 6.7770 119.7184 59.7627 63.6077 173.0759 71 Y 4.9705 6.1659 117.0183 54.6215 41.0731 174.9713 72 S 4.7590 8.7351 116.0260 57.5685 63.5725 172.8207 73 P 4.3099 0.0000 0.0000 61.7388 31.7357 174.6869 74 P 4.4785 0.0000 0.0000 61.7245 32.0301 174.2678 75 P 4.3745 0.0000 0.0000 61.9371 31.7040 174.6571 76 P 3.9449 0.0000 0.0000 60.9929 32.1595 174.4407 77 P 4.1889 0.0000 0.0000 62.9635 31.2217 176.2197 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 8.35 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 2 A 8.12 4.56 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 3 M 8.88 4.17 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.62 0.00 4 G 8.62 3.97 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 0.00 0.00 0.00 5 P 0.00 4.28 0.00 2.20 2.20 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 6 R 7.97 4.65 0.00 1.90 2.11 0.00 2.92 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 7 E 9.08 5.60 0.00 2.13 1.98 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 2.19 2.08 0.00 8 V 8.52 4.49 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 1.07 0.00 0.00 1.03 0.00 0.00 9 T 8.39 5.27 4.47 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 1.34 0.00 0.00 10 M 9.00 4.44 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.58 0.00 11 K 8.57 4.78 0.00 1.91 1.85 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.50 7.81 12 K 8.89 4.11 0.00 1.82 1.81 0.00 2.05 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.65 7.81 13 G 9.36 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 0.00 0.00 0.00 14 D 8.29 5.03 0.00 2.91 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.68 1.88 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 1.35 0.70 0.92 0.00 0.00 16 L 8.32 4.78 0.00 1.57 1.80 1.04 1.03 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 17 T 8.75 3.88 4.21 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 0.00 0.00 1.16 0.00 0.00 18 L 8.60 4.26 0.00 1.59 1.52 0.46 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.72 4.07 0.00 1.61 1.47 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.66 4.09 0.00 2.60 2.78 0.00 0.00 6.54 7.17 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 21 S 8.18 4.34 0.00 2.72 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 22 T 7.82 3.98 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 1.34 0.00 0.00 23 N 8.27 4.62 0.00 3.16 3.19 0.00 0.00 7.07 7.58 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 24 K 8.80 4.42 0.00 1.84 1.92 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 25 D 8.15 4.67 0.00 3.13 2.79 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 26 W 8.02 5.04 0.00 3.21 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.70 5.03 0.00 3.19 3.09 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 28 K 8.55 4.14 0.00 1.48 1.50 0.00 1.12 0.00 0.00 1.36 0.00 0.00 2.58 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.04 0.29 7.81 29 V 8.34 5.00 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 1.28 0.00 0.00 0.93 0.00 0.00 30 E 8.72 4.44 0.00 1.93 1.80 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 2.23 2.28 0.00 31 V 8.66 3.90 2.29 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 0.94 0.00 0.00 1.01 0.00 0.00 32 N 9.13 4.49 0.00 2.93 2.85 0.00 0.00 6.89 8.07 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 33 D 7.75 4.76 0.00 2.55 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.55 4.64 0.00 1.93 1.86 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 35 Q 8.37 4.98 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 36 G 7.49 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 0.00 0.00 0.00 37 F 8.16 4.78 0.00 3.11 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 38 V 8.52 4.54 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 0.38 0.00 0.00 0.96 0.00 0.00 39 P 0.00 3.92 0.00 1.66 0.96 0.00 2.63 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.02 0.00 40 A 8.68 4.03 0.64 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 41 A 7.73 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 42 Y 8.59 3.94 0.00 3.03 3.05 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 43 V 6.83 4.92 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 0.67 0.00 0.00 1.04 0.00 0.00 44 K 8.48 4.20 0.00 1.67 1.52 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 1.26 7.81 45 K 9.18 4.45 0.00 1.89 1.86 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.74 1.86 7.81 46 L 7.95 4.69 0.00 1.63 1.63 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.53 4.81 0.00 2.62 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 48 S 9.58 4.50 0.00 3.79 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 49 G 8.53 3.58 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 0.00 50 T 7.85 3.87 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 1.21 0.00 0.00 51 G 8.29 4.10 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 0.00 52 K 7.51 4.28 0.00 1.80 1.77 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.40 7.81 53 E 8.40 4.69 0.00 1.85 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 2.20 2.26 0.00 54 L 8.06 5.12 0.00 1.72 1.72 0.93 0.56 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 55 V 8.03 4.52 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 1.26 0.00 0.00 1.06 0.00 0.00 56 L 8.69 4.39 0.00 1.70 1.51 0.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.61 4.42 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.70 3.85 0.00 0.27 1.22 0.59 0.55 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 59 Y 7.32 5.16 0.00 2.21 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 5.28 0.00 2.79 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 61 Y 9.31 4.91 0.00 3.04 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 62 Q 6.93 4.62 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.51 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 63 E 9.63 4.89 0.00 2.50 1.94 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 2.72 2.60 0.00 64 S 8.69 4.46 0.00 3.89 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 65 G 8.53 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.43 4.50 0.00 2.70 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 67 N 8.83 5.20 0.00 2.67 2.54 0.00 0.00 6.94 7.55 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 68 A 8.30 3.26 0.82 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 69 P 0.00 3.13 0.00 1.34 0.63 0.00 2.56 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 70 S 6.78 4.13 0.00 3.44 3.73 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 71 Y 6.17 4.97 0.00 2.98 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 72 S 8.74 4.76 0.00 4.04 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 0.00 73 P 0.00 4.31 0.00 1.88 1.32 0.00 3.91 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 74 P 0.00 4.48 0.00 2.28 2.12 0.00 3.28 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 2.02 0.00 75 P 0.00 4.37 0.00 2.19 2.12 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 76 P 0.00 3.94 0.00 1.16 1.61 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.92 0.00 77 P 0.00 4.19 0.00 1.97 1.87 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.58 0.00