NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.3012 8.2033 119.6724 55.7429 31.6111 176.8323 5 E 3.0709 7.7205 116.7866 59.1846 29.4012 178.2120 6 K 4.1492 8.6359 119.0714 59.1598 32.6168 179.2926 7 T 3.9240 7.6391 116.0475 66.6362 68.6842 176.5352 8 I 3.8292 8.4947 122.5746 64.4259 37.0560 178.2373 9 L 4.1242 8.0840 120.7246 58.3370 42.1034 178.5149 10 N 4.3683 8.2943 116.3237 56.6730 38.5259 177.2859 11 M 4.0673 8.6754 119.9039 58.3897 32.1275 178.2571 12 A 4.0115 7.9023 120.5680 55.6954 18.4122 179.8190 13 R 3.3920 8.3069 116.7647 59.0032 29.9047 178.5108 14 F 4.1803 8.1036 120.8072 61.0865 39.4382 177.4087 15 I 3.6935 8.2651 119.9528 64.3694 36.5209 178.1665 16 R 3.8408 7.8722 119.5477 59.5314 29.6926 178.4492 17 S 3.8881 7.3194 112.2934 61.2303 62.4464 176.1526 18 Q 3.7913 7.8159 120.6795 58.4918 28.2268 178.5206 19 A 3.9260 8.2626 122.3998 55.3083 18.4688 179.7680 20 L 3.9125 7.4503 117.0876 58.0991 41.5226 179.7886 21 T 3.8823 7.6965 115.3962 66.7228 68.3065 176.6849 22 I 3.7695 7.7616 121.7418 63.9577 37.1719 178.1486 23 L 3.9179 8.0939 121.5932 58.3602 41.8440 179.0308 24 E 4.0046 8.7707 118.7073 59.1938 29.1983 179.4218 25 K 4.0554 7.8754 118.2082 58.9380 32.1566 179.2892 26 A 4.0049 8.3481 121.8451 55.0438 18.2903 179.3986 27 N 4.2786 8.2687 115.0497 56.5828 38.4116 177.3518 28 E 3.9979 7.7740 118.6133 58.9797 29.6259 178.5059 29 L 4.4293 7.3745 115.8957 53.6416 41.9836 176.2826 30 D 4.3527 7.7767 117.0002 55.2829 39.3226 175.1992 31 A 4.3666 7.7003 123.4906 51.1293 17.0929 178.2326 32 D 4.3710 8.2390 123.6346 56.9311 40.8216 177.8615 33 E 3.9306 8.0386 119.8776 59.4034 29.7630 178.7068 34 I 3.7824 7.7104 119.1020 64.0611 37.3744 178.1077 35 A 3.9854 7.9316 121.4730 54.8859 18.1241 179.5305 36 D 4.2489 7.8534 117.7104 57.6923 40.8716 178.9656 37 I 3.6711 7.4412 119.5977 64.3475 37.1224 178.2238 38 A 3.7792 8.1844 121.7264 55.2866 18.0349 179.3670 39 E 3.8667 8.0094 117.3450 59.1994 29.7174 178.9607 40 S 3.9479 8.0456 113.1915 61.5910 62.5619 176.1536 41 I 3.8156 8.5840 123.6275 64.5312 36.7399 177.9495 42 H 4.0549 8.1891 118.9784 59.3732 29.5602 176.9339 43 D 4.4231 8.1132 119.4206 57.8804 41.0603 178.3959 44 H 4.4197 8.6981 116.6513 58.8696 28.6283 177.7660 45 A 4.0353 8.1447 122.5966 55.2217 18.1785 179.1435 46 D 4.3450 8.2780 116.5149 57.5576 41.3320 178.4128 47 E 4.0169 8.0632 118.7221 59.1536 29.4037 179.1909 48 I 3.8884 7.6008 119.5559 64.0286 37.4285 177.4311 49 Y 4.3271 8.3376 120.8904 60.7576 38.6307 178.4696 50 R 3.7135 8.1940 118.9186 59.4363 30.1770 179.2428 51 S 3.9965 7.8632 114.2241 61.5132 62.7320 176.7356 52 A 3.4420 8.4588 123.8333 54.7573 17.9676 179.4058 53 L 3.7433 7.8713 118.7220 57.9587 41.8302 179.0133 54 A 4.0057 7.5125 119.6974 54.7924 18.8824 179.2747 55 R 3.8793 7.9642 116.4993 58.5347 30.1265 177.1458 56 F 5.0029 8.0801 115.6225 56.7398 41.2835 175.6522 57 G 4.0643 7.8295 113.7377 45.6977 0.0000 173.2622 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 4 Q 8.20 4.30 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 5 E 7.72 3.07 0.00 1.57 1.12 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 1.47 1.78 0.00 6 K 8.64 4.15 0.00 1.77 1.86 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.47 7.81 7 T 7.64 3.92 4.38 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 1.23 0.00 0.00 8 I 8.49 3.83 2.39 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.46 1.10 0.00 0.00 9 L 8.08 4.12 0.00 1.99 1.79 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.29 4.37 0.00 2.85 2.86 0.00 0.00 7.14 7.06 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 11 M 8.68 4.07 0.00 2.04 2.23 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 2.66 2.85 0.00 12 A 7.90 4.01 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 3.39 0.00 1.38 2.00 0.00 3.10 0.00 0.00 3.05 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.15 0.00 14 F 8.10 4.18 0.00 3.31 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 15 I 8.27 3.69 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.89 0.00 0.00 16 R 7.87 3.84 0.00 1.85 1.90 0.00 2.95 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 17 S 7.32 3.89 0.00 3.90 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 18 Q 7.82 3.79 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 1.89 1.54 0.00 19 A 8.26 3.93 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 20 L 7.45 3.91 0.00 1.65 1.69 0.91 0.60 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 21 T 7.70 3.88 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 1.17 0.00 0.00 22 I 7.76 3.77 2.00 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 1.38 0.71 0.89 0.00 0.00 23 L 8.09 3.92 0.00 1.84 1.78 0.92 1.04 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 24 E 8.77 4.00 0.00 1.94 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 2.54 2.47 0.00 25 K 7.88 4.06 0.00 1.89 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 26 A 8.35 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.27 4.28 0.00 2.89 2.87 0.00 0.00 7.01 7.07 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 28 E 7.77 4.00 0.00 2.05 2.02 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 2.34 2.50 0.00 29 L 7.37 4.43 0.00 1.55 1.68 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.78 4.35 0.00 2.82 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 31 A 7.70 4.37 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 32 D 8.24 4.37 0.00 2.69 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 33 E 8.04 3.93 0.00 2.07 1.93 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 2.37 2.45 0.00 34 I 7.71 3.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.41 0.90 0.00 0.00 35 A 7.93 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.25 0.00 2.80 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 37 I 7.44 3.67 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 1.45 1.01 0.90 0.00 0.00 38 A 8.18 3.78 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 3.87 0.00 2.19 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 0.00 2.27 2.48 0.00 40 S 8.05 3.95 0.00 3.88 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 41 I 8.58 3.82 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 1.42 0.88 0.90 0.00 0.00 42 H 8.19 4.05 0.00 3.23 3.48 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 8.11 4.42 0.00 2.78 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 44 H 8.70 4.42 0.00 3.13 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.14 4.04 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 46 D 8.28 4.34 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.06 4.02 0.00 2.18 1.99 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 2.55 2.53 0.00 48 I 7.60 3.89 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.96 0.00 0.00 49 Y 8.34 4.33 0.00 2.96 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.19 3.71 0.00 1.87 1.90 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 51 S 7.86 4.00 0.00 3.81 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 52 A 8.46 3.44 1.37 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 0.00 0.00 0.00 53 L 7.87 3.74 0.00 1.61 1.61 0.75 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.51 4.01 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 55 R 7.96 3.88 0.00 1.50 1.35 0.00 3.24 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.40 0.00 56 F 8.08 5.00 0.00 3.16 2.92 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 57 G 7.83 4.06 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 0.00 0.00 0.00