NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4084 8.3344 115.4126 58.1263 63.1184 172.5521 3 I 4.3272 7.7828 122.8758 57.0902 40.0402 174.9895 4 S 4.1849 8.9687 122.0071 60.7228 64.0668 173.9929 5 A 3.9946 7.1919 122.5785 52.5517 17.9703 177.4925 6 R 4.1297 8.6027 121.5382 57.4374 30.9109 176.0440 7 N 4.8642 7.8380 116.4179 51.7225 40.4150 174.3353 8 Q 4.7412 8.6555 122.8044 54.3464 32.0959 174.2784 9 L 4.7161 9.0592 125.3981 52.4835 44.1415 176.5676 10 K 4.4342 8.7836 124.1402 56.6204 33.1426 176.4900 11 G 4.3154 9.2073 110.6305 45.3219 0.0000 171.2538 12 K 5.1588 8.7255 118.3382 54.5746 35.7629 176.0407 13 V 4.2318 8.9104 124.4566 63.3614 32.1696 176.3605 14 V 4.5023 8.4875 119.6997 59.9837 33.4131 175.7670 15 G 4.3117 7.8057 106.9769 44.7575 0.0000 172.1889 16 L 5.0541 8.2437 124.2399 53.5013 45.5287 174.4810 17 K 4.5438 9.3610 127.5976 54.6747 35.1661 174.6386 18 K 4.6471 8.8664 127.2385 55.1438 33.3110 176.8673 19 G 4.2739 8.6114 115.6914 45.0779 0.0000 173.3539 20 V 3.9346 8.4741 118.2266 64.5629 32.7595 177.9631 21 V 3.9722 7.7726 118.5213 64.0980 32.2987 174.7358 22 T 5.2557 7.5520 107.6581 59.8176 72.5715 172.4113 23 A 5.0280 9.0037 121.8044 50.4483 23.2880 174.5417 24 E 5.0312 9.2974 121.3453 54.4373 32.0385 174.8566 25 V 4.7934 9.1504 127.0042 61.0408 34.7069 174.0152 26 V 4.8026 8.7556 127.9240 61.1574 33.8344 174.0557 27 L 5.1930 9.1776 127.9686 52.9231 44.8757 174.9246 28 E 4.9134 9.2084 125.0891 55.1768 30.8736 175.2939 29 I 4.9865 8.5593 120.9504 58.5089 40.8985 174.6852 30 A 3.8881 8.4912 123.9113 54.0850 18.4414 178.6045 31 G 3.8888 9.0596 107.8640 45.5316 0.0000 174.8889 32 G 3.9173 7.8417 105.9953 45.2376 0.0000 174.0070 33 N 4.6783 7.6309 116.1926 53.1022 39.9152 174.1252 34 K 5.1403 8.4981 119.3557 54.7450 35.6818 175.6601 35 I 4.6032 8.9688 124.5170 59.7910 40.4178 174.5008 36 T 5.0589 8.5686 122.6359 61.8133 70.9235 173.5885 37 S 4.7609 9.2353 120.3588 56.4463 66.1227 172.5268 38 I 5.0432 8.4503 126.6181 59.6337 39.2751 174.5609 39 I 4.8690 8.4589 120.1549 58.5002 41.9715 174.9073 40 S 4.6430 8.4746 116.1388 57.9611 63.6356 175.1744 41 L 3.9930 8.9785 124.6759 58.2662 41.6728 179.1811 42 D 4.3620 8.0894 118.6224 57.5986 40.7203 178.8481 43 S 4.1357 8.0401 115.3854 61.3534 62.7947 176.7480 44 V 3.5798 7.7110 120.8571 66.1229 31.2437 178.0196 45 E 3.9600 8.3284 118.1522 59.5736 29.1334 179.2184 46 E 4.0029 8.3042 117.6563 59.1954 29.6443 178.6921 47 L 4.3292 8.2268 116.5447 54.0806 42.1779 176.8521 48 G 3.8826 7.9268 107.0467 46.1493 0.0000 174.5713 49 V 3.6768 7.7500 119.8102 62.4662 32.2199 175.0379 50 K 4.5797 8.3293 124.2819 55.1975 35.5129 174.6909 51 E 4.0839 8.6733 118.8667 58.5396 29.6617 178.8273 52 G 4.0255 8.9850 111.3685 45.1204 0.0000 173.7370 53 A 4.1264 7.8159 122.4663 52.1438 19.6733 176.5630 54 E 4.8374 8.6888 121.4818 55.6524 30.5107 175.6727 55 L 4.8925 8.9783 123.8874 53.6161 47.2119 175.1201 56 T 5.1015 8.3879 115.3920 61.8808 71.5115 173.8113 57 A 4.5306 9.1250 128.4598 50.9244 20.6089 176.1820 58 V 5.4225 8.2968 121.6307 60.0640 33.9088 174.8876 59 V 4.5368 8.1611 126.2397 60.8959 35.2658 174.7425 60 K 4.2439 8.6340 126.5262 56.0762 33.0593 178.2091 61 S 4.1456 8.8055 118.8510 62.0453 62.8761 176.5256 62 T 4.1050 7.8509 107.6663 63.2818 68.6694 174.3358 63 D 4.6397 7.9441 121.3439 54.2036 41.3875 176.0904 64 V 4.1005 7.4859 120.5588 61.6818 32.2805 175.3562 65 M 4.5277 8.3844 126.5454 54.0799 33.7281 175.1791 66 I 4.4781 8.0547 120.5875 59.3618 39.7418 174.9893 67 L 4.6203 8.5335 126.1480 53.0568 44.0795 175.8167 68 A 4.3442 8.5594 127.4196 52.3091 19.2055 175.8407 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 S 8.33 4.41 0.00 3.99 3.94 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 3 I 7.78 4.33 1.87 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 1.47 1.54 0.91 0.00 0.00 4 S 8.97 4.18 0.00 4.02 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 5 A 7.19 3.99 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 6 R 8.60 4.13 0.00 1.81 1.98 0.00 3.18 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 7 N 7.84 4.86 0.00 2.86 2.74 0.00 0.00 6.64 7.47 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 8 Q 8.66 4.74 0.00 1.86 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 9 L 9.06 4.72 0.00 1.51 1.56 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.78 4.43 0.00 1.64 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 11 G 9.21 4.32 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 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.73 5.16 0.00 1.80 1.88 0.00 1.32 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 13 V 8.91 4.23 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 1.10 0.00 0.00 0.99 0.00 0.00 14 V 8.49 4.50 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 0.85 0.00 0.00 0.98 0.00 0.00 15 G 7.81 4.31 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 0.00 16 L 8.24 5.05 0.00 1.60 1.50 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.36 4.54 0.00 1.79 1.60 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.38 7.81 18 K 8.87 4.65 0.00 1.67 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 G 8.61 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 0.00 0.00 0.00 0.00 20 V 8.47 3.93 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.77 3.97 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 0.82 0.00 0.00 0.93 0.00 0.00 22 T 7.55 5.26 4.33 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 1.21 0.00 0.00 23 A 9.00 5.03 1.20 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 24 E 9.30 5.03 0.00 2.00 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 2.21 2.34 0.00 25 V 9.15 4.79 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 0.95 0.00 0.00 0.93 0.00 0.00 26 V 8.76 4.80 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 0.87 0.00 0.00 0.93 0.00 0.00 27 L 9.18 5.19 0.00 1.56 1.52 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.21 4.91 0.00 2.01 1.81 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 2.25 2.37 0.00 29 I 8.56 4.99 1.93 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 1.30 0.77 0.91 0.00 0.00 30 A 8.49 3.89 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 31 G 9.06 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 32 G 7.84 3.92 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 0.00 0.00 0.00 33 N 7.63 4.68 0.00 2.74 2.75 0.00 0.00 6.75 7.56 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 34 K 8.50 5.14 0.00 1.59 1.67 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.37 7.81 35 I 8.97 4.60 1.87 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 1.23 1.08 0.91 0.00 0.00 36 T 8.57 5.06 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 1.24 0.00 0.00 37 S 9.24 4.76 0.00 3.82 3.75 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 0.00 0.00 0.00 38 I 8.45 5.04 1.87 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 1.40 0.79 0.91 0.00 0.00 39 I 8.46 4.87 1.87 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 1.28 1.22 0.91 0.00 0.00 40 S 8.47 4.64 0.00 4.02 4.03 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 0.00 0.00 0.00 41 L 8.98 3.99 0.00 1.72 1.70 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.09 4.36 0.00 2.72 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 43 S 8.04 4.14 0.00 4.04 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 44 V 7.71 3.58 2.23 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 1.03 0.00 0.00 0.93 0.00 0.00 45 E 8.33 3.96 0.00 2.17 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 2.56 2.49 0.00 46 E 8.30 4.00 0.00 1.99 2.01 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 2.35 2.42 0.00 47 L 8.23 4.33 0.00 1.64 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.93 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 0.00 0.00 0.00 49 V 7.75 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 0.81 0.00 0.00 0.98 0.00 0.00 50 K 8.33 4.58 0.00 1.92 1.84 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.46 7.81 51 E 8.67 4.08 0.00 2.01 1.95 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 2.41 2.28 0.00 52 G 8.99 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.82 4.13 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 54 E 8.69 4.84 0.00 1.86 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 2.28 2.33 0.00 55 L 8.98 4.89 0.00 1.53 1.51 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.39 5.10 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 1.28 0.00 0.00 57 A 9.12 4.53 1.22 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 0.00 0.00 58 V 8.30 5.42 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 0.77 0.00 0.00 0.93 0.00 0.00 59 V 8.16 4.54 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 0.96 0.00 0.00 0.93 0.00 0.00 60 K 8.63 4.24 0.00 1.86 1.71 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.46 7.81 61 S 8.81 4.15 0.00 3.88 3.92 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 62 T 7.85 4.11 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 1.21 0.00 0.00 63 D 7.94 4.64 0.00 2.85 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 64 V 7.49 4.10 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 0.77 0.00 0.00 0.93 0.00 0.00 65 M 8.38 4.53 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 66 I 8.05 4.48 1.87 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 1.30 0.88 0.91 0.00 0.00 67 L 8.53 4.62 0.00 1.54 1.52 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.56 4.34 1.21 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 0.00 0.00