NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2858 8.1227 123.5779 52.3432 19.3283 177.2692 3 Q 3.8931 7.8169 121.6011 55.4836 29.8056 174.7013 4 I 4.0672 8.4958 110.7087 60.7832 38.4513 175.3384 5 T 3.3954 7.8752 117.7004 64.6107 65.5190 172.8056 6 G 3.7815 8.0424 111.9781 47.7447 0.0000 171.5304 7 R 4.6704 7.0914 111.1740 53.0894 32.5896 174.6505 8 P 4.7130 0.0000 0.0000 62.3189 29.3428 176.5665 9 E 4.2837 8.3870 125.4449 59.3846 30.0286 178.8323 10 W 4.3313 8.2940 129.7545 60.6412 30.7989 177.8344 11 I 3.4797 7.8894 119.4222 63.8660 36.5915 178.0297 12 W 4.1448 8.4835 129.4345 60.3008 30.4074 177.8865 13 L 4.5465 8.4737 120.6242 58.1598 41.5583 178.7683 14 A 5.0437 8.1467 122.2789 54.8613 18.2014 179.6677 15 L 3.8524 8.1932 117.9421 57.7755 41.6465 179.9844 16 G 3.0999 7.7307 105.7905 47.8133 0.0000 175.9606 17 T 3.2167 5.9856 117.9205 65.7826 68.2006 176.8843 18 A 4.0099 7.7140 122.8627 54.8983 18.3189 179.4390 19 L 3.7457 7.8806 119.0952 58.5211 42.1251 178.8195 20 M 4.0322 8.0374 118.2838 58.4402 32.0808 178.3317 21 G 3.1994 8.3905 106.0431 47.8667 0.0000 175.7090 22 L 4.0534 8.0364 122.4263 57.0847 41.5051 179.9960 23 G 3.6549 8.2460 106.0597 48.0748 0.0000 176.0120 24 T 3.8934 8.0430 118.3706 66.2614 68.4748 176.8777 25 L 3.9747 8.0103 120.9641 58.0155 41.6680 178.9497 26 Y 4.3237 8.3966 119.7895 60.7910 38.6865 177.9107 27 F 3.8561 8.5053 121.6953 61.0740 39.3289 177.1806 28 L 3.8477 8.0805 118.8802 57.5369 41.2562 179.5507 29 V 3.5488 7.7158 118.3146 65.8904 31.2300 178.3228 30 K 3.9599 7.5826 117.4584 59.3307 31.9190 179.3510 31 G 4.2382 7.5412 105.0680 46.6308 0.0000 175.1211 32 M 4.3049 8.1496 120.2284 56.1974 32.4394 177.6891 33 G 4.4739 7.5237 111.5091 46.2512 0.0000 174.7399 34 V 3.8205 7.8617 123.1677 60.0527 31.0646 176.2626 *37 P 4.4790 0.0000 0.0000 63.9029 33.3890 176.2605 38 D 4.5637 8.1106 115.4659 54.0327 46.4078 175.2940 39 A 4.6256 7.5301 117.9832 49.7506 23.3365 176.8263 40 K 4.0385 8.5940 121.6933 59.4701 32.2706 179.4360 41 K 4.0424 8.0704 118.4484 59.4935 32.0851 178.8742 42 F 4.1083 8.3725 120.4699 61.5313 39.3165 176.3539 43 Y 4.1392 8.6592 119.0712 60.4559 38.6064 177.7303 44 A 3.9579 8.3141 121.8463 55.3325 18.2218 179.6669 45 I 3.5868 7.8555 118.3661 64.8820 36.9171 178.9014 46 T 3.5649 7.5451 115.5780 66.3734 68.2667 176.2322 47 T 2.0000 7.9997 116.0316 62.1635 69.1020 175.9593 48 L 4.5406 7.2238 120.2320 54.3098 41.9879 178.2507 49 V 3.3677 6.6040 120.1825 65.5770 31.3794 176.4245 50 P 4.2815 0.0000 0.0000 65.2560 31.3509 178.1886 51 A 3.9949 7.6604 120.6755 55.1367 18.3154 179.4827 52 I 3.7539 8.2400 118.6401 64.2680 37.1794 178.4789 53 A 3.9916 8.0351 121.7824 55.1479 18.1305 179.5148 54 F 4.1174 8.5360 119.3564 61.6636 39.4161 177.5771 55 T 3.8081 8.1079 115.4865 66.8327 68.2310 176.6375 56 M 4.0107 8.3752 120.9691 58.5764 31.9235 178.2457 57 Y 3.9412 8.1547 119.7615 60.4209 38.8678 177.7425 58 L 3.6537 8.0385 121.8136 58.0554 42.0603 178.9430 59 S 3.9554 8.0782 113.2076 61.1702 62.3331 175.9145 60 M 3.5323 7.7819 121.0753 58.5350 31.9612 178.3033 61 L 3.9998 7.6505 119.3939 57.5600 41.4515 179.3388 62 L 4.0218 7.7817 120.0177 57.7146 42.0612 178.7709 63 G 3.6237 7.6654 105.2590 48.1764 0.0000 174.9537 64 Y 4.4856 7.2621 117.9836 58.1064 39.0320 175.7932 65 G 3.6759 8.2248 106.4260 46.6400 0.0000 172.4852 66 L 3.5725 6.8962 118.5728 56.1513 44.0242 179.8611 67 T 6.3000 10.7500 116.1680 68.1874 68.8930 176.4453 68 M 4.3596 8.5716 119.9774 57.5250 32.3118 176.5284 69 V 4.3689 7.4001 117.3788 59.9936 31.7193 173.1193 70 P 4.7451 0.0000 0.0000 61.8308 31.3504 177.1590 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 A 8.12 4.29 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 3 Q 7.82 3.89 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.08 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 4 I 8.50 4.07 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.89 0.00 0.00 5 T 7.88 3.40 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 6 G 8.04 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.09 4.67 0.00 1.84 1.80 0.00 2.92 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 8 P 0.00 4.71 0.00 2.43 2.38 0.00 3.74 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 9 E 8.39 4.28 0.00 2.40 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 0.00 2.40 2.53 0.00 10 W 8.29 4.33 0.00 3.40 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 11 I 7.89 3.48 2.07 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.85 0.89 0.00 0.00 12 W 8.48 4.14 0.00 3.44 3.26 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 0.00 13 L 8.47 4.55 0.00 2.11 1.92 1.68 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.15 5.04 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.19 3.85 0.00 1.42 1.37 0.91 1.04 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 16 G 7.73 3.10 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 17 T 5.99 3.22 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 1.47 0.00 0.00 18 A 7.71 4.01 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 19 L 7.88 3.75 0.00 1.66 1.49 0.78 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 20 M 8.04 4.03 0.00 2.26 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.90 0.00 21 G 8.39 3.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.04 4.05 0.00 1.79 1.66 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.25 3.65 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 0.00 0.00 0.00 24 T 8.04 3.89 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 1.29 0.00 0.00 25 L 8.01 3.97 0.00 1.80 1.71 0.82 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.40 4.32 0.00 3.05 3.21 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 0.00 27 F 8.51 3.86 0.00 3.14 3.13 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 0.00 28 L 8.08 3.85 0.00 1.90 1.67 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.72 3.55 2.31 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 1.12 0.00 0.00 1.02 0.00 0.00 30 K 7.58 3.96 0.00 1.49 1.60 0.00 1.56 0.00 0.00 1.29 0.00 0.00 2.71 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.22 0.92 7.81 31 G 7.54 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 0.00 0.00 0.00 0.00 32 M 8.15 4.30 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.69 0.00 33 G 7.52 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 0.00 0.00 0.00 0.00 34 V 7.86 3.82 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 0.78 0.00 0.00 0.93 0.00 0.00 *37 P 0.00 4.48 0.00 2.32 2.37 0.00 3.99 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 2.30 2.27 0.00 38 D 8.11 4.56 0.00 2.07 2.30 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 0.00 39 A 7.53 4.63 1.30 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 0.00 0.00 0.00 40 K 8.59 4.04 0.00 1.91 1.87 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.68 7.81 41 K 8.07 4.04 0.00 1.90 1.91 0.00 1.78 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.49 7.81 42 F 8.37 4.11 0.00 3.17 3.31 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 43 Y 8.66 4.14 0.00 3.32 3.28 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 44 A 8.31 3.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.86 3.59 1.86 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 1.48 0.94 0.71 0.00 0.00 46 T 7.55 3.56 4.37 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 1.19 0.00 0.00 47 T 8.00 2.00 4.65 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 1.01 0.00 0.00 48 L 7.22 4.54 0.00 1.67 1.60 0.95 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 V 6.60 3.37 1.69 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 0.83 0.00 0.00 0.71 0.00 0.00 50 P 0.00 4.28 0.00 2.49 2.13 0.00 3.45 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 51 A 7.66 3.99 1.35 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 52 I 8.24 3.75 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.90 0.00 0.00 53 A 8.04 3.99 1.38 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 0.00 0.00 54 F 8.54 4.12 0.00 3.17 3.27 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 55 T 8.11 3.81 4.45 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 1.22 0.00 0.00 56 M 8.38 4.01 0.00 2.01 2.32 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 57 Y 8.15 3.94 0.00 3.08 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 58 L 8.04 3.65 0.00 1.10 1.45 0.71 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.08 3.96 0.00 3.91 3.88 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 0.00 0.00 0.00 60 M 7.78 3.53 0.00 1.97 1.93 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 2.24 2.25 0.00 61 L 7.65 4.00 0.00 1.43 1.71 1.51 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.78 4.02 0.00 1.59 1.74 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 G 7.67 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.26 4.49 0.00 2.94 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 65 G 8.22 3.68 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 0.00 0.00 0.00 66 L 6.90 3.57 0.00 0.52 0.13 0.23 0.46 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 67 T 10.75 6.30 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 68 M 8.57 4.36 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 69 V 7.40 4.37 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 0.84 0.00 0.00 0.94 0.00 0.00 70 P 0.00 4.75 0.00 2.31 2.26 0.00 3.52 0.00 0.00 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.