NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 T 4.4219 8.1744 110.9346 61.8933 70.6241 172.0935 14 F 4.3453 8.4400 118.5768 57.2415 43.4138 174.8906 15 L 4.0545 8.5760 121.3605 59.4923 40.9467 178.7541 16 T 3.8870 7.9802 113.7850 64.1257 67.0648 175.3958 17 Q 3.9040 7.8410 121.5748 59.3386 28.9118 178.7057 18 V 3.6216 7.6853 119.0173 65.7130 31.5092 177.7509 19 K 3.9148 8.0005 118.9328 59.7327 32.3232 178.5001 20 E 4.1330 8.5664 118.8132 58.8366 29.2746 179.4611 21 S 4.0192 7.7066 113.8122 61.2884 62.2131 175.7482 22 L 3.8975 8.2025 123.2932 58.2994 41.7585 179.1953 23 S 4.0668 8.5431 115.5466 61.6766 62.5822 176.8548 24 S 4.1801 8.0138 117.8509 61.4365 62.2896 175.7567 25 Y 3.7977 7.6326 121.7871 59.8716 38.6734 177.4608 26 W 5.0210 7.7028 117.5775 57.0100 30.3863 177.7550 27 E 4.0036 8.5154 120.5844 59.4474 28.9814 178.6381 28 S 4.1593 8.0256 112.8371 61.3489 61.9807 175.9550 29 A 3.8587 8.0389 123.0437 55.1591 17.9634 179.5210 30 K 4.0612 7.9387 116.0648 59.3911 32.3489 179.6381 31 T 4.0265 8.3860 116.5163 66.6307 68.6372 176.7446 32 A 4.0002 8.9106 123.1448 54.9382 18.3480 179.3835 33 A 4.2153 7.7539 118.9850 55.0637 18.4985 179.8074 34 Q 4.0214 8.3241 117.2514 58.9929 28.7751 178.3597 35 N 4.3103 8.1574 117.5803 56.8366 38.9247 176.6287 36 L 4.0867 7.3724 120.5937 57.0636 42.2625 177.4274 37 Y 4.5053 7.8693 114.0597 57.9876 38.2376 175.3492 38 E 4.5885 8.3187 118.4960 58.0647 33.0421 177.5274 39 K 4.3562 8.1232 114.6077 57.8531 32.4126 177.7064 40 T 4.5960 7.6548 114.0799 63.0940 70.9561 174.4168 41 Y 4.2379 7.3892 121.9539 57.0336 39.9260 174.3476 42 L 4.1011 9.0300 117.0312 57.9849 41.7323 178.0262 43 P 4.6765 0.0000 0.0000 63.3250 30.8732 176.1364 44 A 4.9526 8.2652 118.2276 50.5041 20.4668 178.9871 45 V 3.6794 7.8062 119.2001 66.6280 31.3746 177.7740 46 D 4.4734 7.9992 117.2969 56.5779 40.8574 178.2837 47 E 4.4900 8.3044 120.6435 58.7433 29.5675 178.8098 48 K 3.9682 7.6857 117.2823 59.8197 32.3939 178.0465 49 L 4.5433 7.3814 117.8700 55.8659 41.8053 177.3311 50 R 4.6788 8.1243 120.5290 54.7056 31.1729 173.0088 51 D 4.8081 8.5157 120.7637 53.9846 47.3800 177.6336 52 L 3.9537 8.2048 118.3580 59.2834 39.9830 178.4924 53 Y 4.0136 7.9532 119.3611 60.4776 38.5909 176.7836 54 S 4.7376 7.9784 113.0714 58.7240 62.7267 174.9818 55 K 4.2967 8.1874 121.7580 56.0612 33.4490 176.5469 56 S 4.7163 7.9247 112.0166 58.8884 63.8434 174.1382 57 T 4.4469 7.8763 113.1412 61.6727 69.4514 173.9354 58 A 4.6469 8.1751 119.9244 52.0090 20.5797 177.6583 59 A 4.0984 7.7284 116.7234 54.2845 18.3357 178.9277 60 M 4.6220 7.9106 115.1796 57.2208 32.3371 178.4357 61 S 4.2966 7.9425 114.7798 61.3107 63.5385 176.2017 62 T 4.0606 8.3198 119.2149 65.8874 68.1947 176.3351 63 Y 4.1630 7.5531 121.7366 60.6291 38.5687 177.6200 64 T 3.9782 7.6726 109.0523 64.5968 68.5898 175.7892 65 G 3.8860 7.8147 106.5598 46.3448 0.0000 175.1621 66 I 4.1741 7.6462 120.0037 62.0607 37.3737 177.4689 67 F 3.9575 8.6906 123.1904 61.8157 39.3305 177.1545 68 T 4.0565 8.1183 114.5733 66.3739 66.8152 176.2726 69 D 4.7495 7.9125 120.2279 56.4209 40.4899 177.6426 70 Q 4.1345 7.4718 116.7018 55.6139 29.5547 176.1534 71 V 4.0324 8.3176 120.6239 64.2473 32.4838 177.6614 72 L 4.2923 7.6682 118.5671 56.9440 41.3878 177.8112 73 S 4.3363 7.5126 111.7948 59.2416 62.5929 174.9528 74 V 4.3617 7.6479 116.2280 62.6332 33.0786 175.3880 75 L 4.7200 7.9113 115.9503 54.1521 43.4449 177.0014 76 K 4.3753 7.8961 115.7933 55.1955 33.5026 175.6635 77 G 3.8908 9.2070 108.5819 46.2514 0.0000 173.4144 78 E 4.2813 8.0885 114.3259 56.1010 27.6925 173.6235 79 E 4.2584 8.5444 122.6223 56.6338 29.6610 176.7075 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 13 T 8.17 4.42 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 1.23 0.00 0.00 14 F 8.44 4.35 0.00 3.13 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.05 0.00 1.99 1.97 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.98 3.89 4.25 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 1.21 0.00 0.00 17 Q 7.84 3.90 0.00 2.13 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 18 V 7.69 3.62 2.11 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 1.13 0.00 0.00 1.00 0.00 0.00 19 K 8.00 3.91 0.00 1.98 1.80 0.00 1.68 0.00 0.00 1.83 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.62 7.81 20 E 8.57 4.13 0.00 2.02 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 2.33 2.55 0.00 21 S 7.71 4.02 0.00 4.07 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.20 3.90 0.00 1.81 1.56 0.81 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.54 4.07 0.00 3.90 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 24 S 8.01 4.18 0.00 4.09 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 25 Y 7.63 3.80 0.00 2.85 2.35 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 26 W 7.70 5.02 0.00 3.51 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 27 E 8.52 4.00 0.00 2.24 2.11 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 2.33 2.40 0.00 28 S 8.03 4.16 0.00 3.88 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 29 A 8.04 3.86 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.94 4.06 0.00 2.10 1.89 0.00 1.88 0.00 0.00 1.95 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.73 7.81 31 T 8.39 4.03 4.35 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 1.23 0.00 0.00 32 A 8.91 4.00 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 33 A 7.75 4.22 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 34 Q 8.32 4.02 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 35 N 8.16 4.31 0.00 2.79 2.85 0.00 0.00 6.87 6.70 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 36 L 7.37 4.09 0.00 1.86 1.65 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 7.87 4.51 0.00 3.21 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.32 4.59 0.00 2.11 1.91 0.00 0.00 0.00 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 2.41 0.00 39 K 8.12 4.36 0.00 2.00 1.87 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.66 7.81 40 T 7.65 4.60 4.43 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 1.19 0.00 0.00 41 Y 7.39 4.24 0.00 2.98 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 42 L 9.03 4.10 0.00 1.88 1.77 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.68 0.00 2.22 2.19 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 44 A 8.27 4.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.81 3.68 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 1.00 0.00 0.00 0.97 0.00 0.00 46 D 8.00 4.47 0.00 2.70 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 47 E 8.30 4.49 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.24 0.00 48 K 7.69 3.97 0.00 1.95 1.98 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.60 7.81 49 L 7.38 4.54 0.00 1.93 1.91 0.91 0.92 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 50 R 8.12 4.68 0.00 1.80 1.87 0.00 3.08 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 51 D 8.52 4.81 0.00 3.01 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 52 L 8.20 3.95 0.00 1.82 1.89 1.08 0.58 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 53 Y 7.95 4.01 0.00 3.12 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 54 S 7.98 4.74 0.00 3.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.30 0.00 1.90 1.80 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.42 7.81 56 S 7.92 4.72 0.00 3.99 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 57 T 7.88 4.45 4.02 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 1.24 0.00 0.00 58 A 8.18 4.65 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 59 A 7.73 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.62 0.00 2.46 2.35 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.66 0.00 61 S 7.94 4.30 0.00 4.08 4.17 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 62 T 8.32 4.06 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 1.18 0.00 0.00 63 Y 7.55 4.16 0.00 3.44 2.98 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 64 T 7.67 3.98 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 1.32 0.00 0.00 65 G 7.81 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 66 I 7.65 4.17 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.99 0.94 0.00 0.00 67 F 8.69 3.96 0.00 3.43 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 68 T 8.12 4.06 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 1.26 0.00 0.00 69 D 7.91 4.75 0.00 2.85 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 70 Q 7.47 4.13 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 71 V 8.32 4.03 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 0.96 0.00 0.00 1.03 0.00 0.00 72 L 7.67 4.29 0.00 1.86 1.90 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.51 4.34 0.00 4.13 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 74 V 7.65 4.36 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 0.96 0.00 0.00 0.90 0.00 0.00 75 L 7.91 4.72 0.00 1.74 1.62 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.90 4.38 0.00 1.76 1.82 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.39 7.81 77 G 9.21 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 78 E 8.09 4.28 0.00 2.06 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 2.18 2.32 0.00 79 E 8.54 4.26 0.00 1.96 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 2.26 2.42 0.00