NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9445 8.3544 109.7384 44.8883 0.0000 175.2207 2 S 4.3145 9.1103 111.0090 56.0928 65.7714 170.6002 3 S 4.6863 8.9667 123.3810 56.5063 66.3099 171.7793 4 G 3.8795 8.5770 108.4090 44.4480 0.0000 174.1345 5 S 4.0524 8.8149 120.7113 60.8648 62.7282 174.5815 6 S 4.6769 7.8841 119.8640 57.0527 64.1650 172.8746 7 G 4.2801 8.7603 117.6155 45.4274 0.0000 173.5331 8 K 4.5292 8.8484 114.5614 53.6693 36.9055 175.0531 9 P 4.5368 0.0000 0.0000 62.5752 31.1707 174.9064 10 E 4.3724 8.5654 113.8948 57.6153 30.9231 178.0543 11 W 4.3678 8.1181 115.5785 59.0437 28.3402 175.8051 12 M 3.5291 6.0545 117.8106 55.4333 30.5554 175.1553 13 M 4.7770 8.5180 122.5971 53.5495 36.6895 175.1304 14 I 4.0343 7.8615 120.8648 59.3132 37.4546 175.0807 15 H 4.2441 8.5519 125.9899 57.4599 29.5492 174.6742 16 R 4.7356 7.4824 110.5087 55.2372 32.0491 172.8679 17 I 3.6511 8.7339 122.6376 61.8429 36.6875 175.8165 18 L 4.0319 8.2561 128.2963 57.3500 42.1489 176.7899 19 N 4.6400 7.3079 114.3835 54.1202 42.4370 171.9983 20 H 5.8256 8.8694 114.3784 54.3645 32.0593 172.7643 21 S 4.4259 9.1262 113.5472 57.0928 66.2475 173.0103 22 V 4.6779 8.0929 126.7273 60.7844 32.2113 175.1050 23 D 4.3977 8.0046 127.8477 52.7826 39.7811 177.3854 24 K 3.6261 8.4734 120.6844 59.4247 32.3170 178.2049 25 K 4.0758 7.4222 117.7578 59.7071 32.0940 176.8269 26 G 3.6197 8.5350 109.5372 45.9872 0.0000 174.2881 27 H 4.0353 8.5132 118.4178 56.2425 29.2011 174.2696 28 V 3.9784 8.6793 124.9638 63.0004 32.5459 174.4874 29 H 5.4143 9.3296 124.8502 54.2517 32.2583 172.7503 30 Y 5.2003 9.2545 119.1932 56.0918 41.1079 175.0597 31 L 3.2173 8.6814 127.9014 55.0366 40.7638 175.2534 32 I 3.8373 7.6606 124.6215 60.3178 38.7702 174.9458 33 K 4.1430 7.5362 125.2863 53.6532 33.0896 173.2238 34 W 4.7555 7.9497 125.8510 56.8003 29.6175 176.9152 35 R 3.9600 8.9202 124.5380 59.7673 29.3806 177.6266 36 D 4.5524 8.6466 116.4194 57.2596 41.3180 176.7226 37 L 4.4240 7.9500 117.6835 53.3154 42.8559 176.2192 38 P 4.6291 0.0000 0.0000 62.8262 33.3601 176.1507 39 Y 4.1574 8.4958 116.7015 60.8022 38.5037 177.1202 40 D 4.4041 8.1652 118.2421 56.2977 41.1651 177.4551 41 Q 4.3061 7.4778 115.8560 55.4270 29.5938 175.6023 42 A 3.8794 6.3451 121.7695 51.8009 19.4173 176.1813 43 S 4.7327 7.8591 112.8492 56.2975 66.8837 172.6376 44 W 4.5297 8.7389 122.9867 55.5911 30.1556 175.7127 45 E 4.7349 8.7302 124.4741 54.1594 31.5487 176.0269 46 S 4.4801 8.8598 119.5836 58.1768 63.7412 174.0690 47 E 4.9633 9.2197 118.6303 56.8736 29.3850 176.7417 48 D 4.7859 7.8023 118.9387 55.5305 42.4292 177.4244 49 V 3.5160 7.9930 111.5905 61.8455 31.8234 175.3010 50 E 4.5162 8.6263 122.3856 54.9937 29.8318 175.1812 51 I 4.5355 7.7486 123.7529 58.4666 41.0740 174.9080 52 Q 4.1490 8.7431 122.5715 58.4641 29.2360 176.4664 53 D 4.5176 8.9237 124.7826 55.2004 39.2270 175.5364 54 Y 4.2867 8.2178 121.0796 61.0251 38.9426 176.2051 55 D 4.2195 8.1453 119.4061 57.0821 40.9110 178.5825 56 L 3.9773 7.9083 119.0173 57.8342 41.7564 178.9967 57 F 3.8241 8.2564 117.1391 60.7653 38.8066 177.9348 58 K 3.5196 7.7292 117.4772 59.5146 31.8799 179.2000 59 Q 4.1260 8.2058 119.7134 59.6883 28.8829 177.5585 60 S 4.1730 8.7519 115.1653 60.4112 62.1603 175.3043 61 Y 4.2258 8.4698 121.8140 61.1159 38.5810 178.5541 62 W 4.3206 7.7410 118.5232 59.4650 29.1904 177.4816 63 N 4.4270 8.1939 116.7465 56.7969 38.3952 175.4546 64 H 4.5351 8.4357 120.4320 55.8358 29.1901 174.8520 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 3.94 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 0.00 0.00 0.00 2 S 9.11 4.31 0.00 3.87 3.70 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 3 S 8.97 4.69 0.00 3.88 3.77 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 4 G 8.58 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 5 S 8.81 4.05 0.00 3.85 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 6 S 7.88 4.68 0.00 4.01 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 7 G 8.76 4.28 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 0.00 8 K 8.85 4.53 0.00 1.59 1.46 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.65 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.47 7.81 9 P 0.00 4.54 0.00 1.63 2.21 0.00 3.37 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.46 0.00 10 E 8.57 4.37 0.00 2.18 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 0.00 2.36 2.41 0.00 11 W 8.12 4.37 0.00 3.55 3.23 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 0.00 12 M 6.05 3.53 0.00 1.51 1.22 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.00 13 M 8.52 4.78 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 14 I 7.86 4.03 0.71 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.32 0.34 0.00 0.00 15 H 8.55 4.24 0.00 3.34 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.48 4.74 0.00 1.92 2.09 0.00 2.99 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 17 I 8.73 3.65 1.38 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 1.22 0.60 0.28 0.00 0.00 18 L 8.26 4.03 0.00 1.28 1.80 0.59 1.05 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 19 N 7.31 4.64 0.00 2.72 2.76 0.00 0.00 7.28 8.02 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 20 H 8.87 5.83 0.00 3.11 3.29 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 S 9.13 4.43 0.00 3.44 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 V 8.09 4.68 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 0.97 0.00 0.00 0.97 0.00 0.00 23 D 8.00 4.40 0.00 2.83 2.58 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 24 K 8.47 3.63 0.00 1.67 1.86 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.52 7.81 25 K 7.42 4.08 0.00 1.88 1.87 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.41 7.81 26 G 8.54 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 27 H 8.51 4.04 0.00 3.59 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.68 3.98 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 0.82 0.00 0.00 1.03 0.00 0.00 29 H 9.33 5.41 0.00 3.04 3.35 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 9.25 5.20 0.00 3.03 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 31 L 8.68 3.22 0.00 0.27 0.87 -0.14 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.66 3.84 0.94 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.81 -0.18 0.00 0.00 33 K 7.54 4.14 0.00 1.74 1.70 0.00 1.79 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.36 7.81 34 W 7.95 4.76 0.00 3.37 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 35 R 8.92 3.96 0.00 1.81 2.10 0.00 3.24 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 36 D 8.65 4.55 0.00 2.80 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 37 L 7.95 4.42 0.00 1.98 1.70 1.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.63 0.00 2.31 2.27 0.00 3.75 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 2.11 2.05 0.00 39 Y 8.50 4.16 0.00 3.02 2.99 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 40 D 8.17 4.40 0.00 2.71 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 41 Q 7.48 4.31 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 42 A 6.35 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 S 7.86 4.73 0.00 4.04 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 44 W 8.74 4.53 0.00 3.22 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 45 E 8.73 4.73 0.00 1.75 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 2.05 2.12 0.00 46 S 8.86 4.48 0.00 3.73 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 47 E 9.22 4.96 0.00 2.52 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 2.64 2.41 0.00 48 D 7.80 4.79 0.00 2.81 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 49 V 7.99 3.52 1.92 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 0.85 0.00 0.00 0.74 0.00 0.00 50 E 8.63 4.52 0.00 2.09 2.03 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 2.19 2.29 0.00 51 I 7.75 4.54 1.55 0.00 0.00 0.15 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 0.68 0.83 0.00 0.00 52 Q 8.74 4.15 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 53 D 8.92 4.52 0.00 3.08 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 54 Y 8.22 4.29 0.00 3.06 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 55 D 8.15 4.22 0.00 2.74 2.69 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 0.00 0.00 0.00 0.00 56 L 7.91 3.98 0.00 2.02 1.73 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.26 3.82 0.00 3.16 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 58 K 7.73 3.52 0.00 1.66 1.32 0.00 0.61 0.00 0.00 0.91 0.00 0.00 2.40 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.30 0.77 7.81 59 Q 8.21 4.13 0.00 2.28 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 60 S 8.75 4.17 0.00 3.79 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 61 Y 8.47 4.23 0.00 2.94 2.75 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 62 W 7.74 4.32 0.00 3.52 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 63 N 8.19 4.43 0.00 3.01 2.95 0.00 0.00 7.53 7.80 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 64 H 8.44 4.54 0.00 3.06 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00