NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1205 7.8833 121.0445 60.6987 40.1275 174.2604 2 R 4.2849 8.2134 127.5677 55.2875 30.8915 173.6328 3 C 5.2963 9.3108 122.0932 54.5899 45.1939 173.2320 4 F 4.7189 8.6502 121.1178 58.0530 38.4825 175.1302 5 I 4.4329 8.3972 125.5108 60.2771 39.2120 175.4280 6 T 4.8560 8.3817 121.0008 61.5265 70.8945 172.1897 7 P 4.7423 0.0000 0.0000 62.9298 31.5847 175.4633 8 D 4.7242 7.3383 118.5599 54.1659 41.7931 177.7131 9 I 3.4460 8.1514 121.6513 63.1484 37.6723 175.9279 10 T 4.8426 7.3275 115.5724 60.4746 69.8463 173.2151 11 S 4.7585 8.3443 119.0369 57.2553 64.6173 173.4321 12 K 4.6035 8.3610 119.9467 54.8658 37.1647 175.2033 13 D 4.7094 8.6607 121.8926 53.8401 41.2440 176.5833 14 C 4.7353 8.1308 123.7664 54.2108 40.6204 172.1895 15 P 4.0260 0.0000 0.0000 64.6685 31.4937 178.2944 16 N 3.9222 7.8711 120.5929 54.6478 34.3194 173.5430 17 G 3.8000 7.8497 107.7689 45.0187 0.0000 171.6187 18 H 4.5473 8.3973 122.4855 57.0327 29.2750 176.2463 19 V 4.7667 7.9727 111.8616 59.7692 36.1945 173.6790 20 C 5.2503 8.8259 121.8056 55.9025 41.3242 172.4260 21 Y 5.3758 8.7343 121.3814 55.7898 41.1695 174.8180 22 T 4.9340 8.6254 116.9353 61.5381 70.1856 172.5534 23 K 4.6728 8.8914 124.7994 56.5780 34.1226 176.1361 24 T 5.1475 9.1509 114.4820 60.2842 72.2128 172.6945 25 W 5.4972 8.6955 122.5304 54.9938 32.2463 172.8447 26 C 4.8068 9.0124 122.5809 55.6641 43.6250 172.3893 27 D 4.9733 8.4972 129.2205 53.0668 40.0602 176.5979 28 A 4.2617 8.7591 118.7039 55.1243 18.1431 179.0785 29 F 4.5527 8.6435 115.0019 58.9395 39.0367 175.6267 30 C 5.5554 7.9951 120.3706 56.8218 44.8941 175.9824 31 S 3.9030 7.9487 114.3236 61.1254 62.0142 174.6894 32 I 3.8837 6.9056 120.9232 62.2180 37.4357 176.3263 33 R 4.0960 7.2185 121.6709 55.6043 30.9940 175.3742 34 G 3.6111 7.7591 104.1424 43.3366 0.0000 173.2216 35 K 4.1841 8.1662 117.7828 56.4379 32.7184 177.5608 36 R 3.9317 7.9618 124.1900 56.0754 31.3249 175.6573 37 V 4.9225 7.8620 123.2758 58.9165 34.3495 173.9257 38 D 4.9637 9.0821 125.4827 52.6186 42.7919 175.5681 39 L 4.8610 8.8832 126.1292 53.3891 43.8138 176.3949 40 G 3.8049 6.4964 104.2338 46.6694 0.0000 168.6526 41 C 5.5944 7.8404 113.2781 53.8860 39.4552 172.6048 42 A 4.5789 8.3906 119.3758 51.4076 22.3018 177.7483 43 A 3.9528 8.8385 121.9891 55.0659 18.5609 177.7950 44 T 4.6622 7.4198 102.0527 59.4865 72.1922 173.7820 45 C 4.3863 8.6183 122.0835 55.8552 44.0275 171.4687 46 P 4.5152 0.0000 0.0000 62.1100 31.9583 175.9740 47 T 3.9624 8.0453 115.2244 63.4760 68.8773 174.3965 48 V 4.2098 7.9181 123.3522 60.8156 32.5181 175.8661 49 K 4.1286 8.2278 126.7851 56.1044 32.7251 176.2534 50 T 4.2076 8.1806 116.7084 63.3559 67.7116 172.6739 51 G 4.1988 9.1684 116.9686 45.5190 0.0000 173.9437 52 V 3.8099 6.8383 117.0255 63.4728 32.3711 175.1498 53 D 4.9966 8.9402 125.3871 52.4867 43.7779 174.4468 54 I 5.0174 8.3404 124.9674 59.6486 41.6266 174.9530 55 Q 4.3764 8.4467 125.4237 55.9179 31.2255 172.8236 56 C 5.2670 8.6221 124.3646 56.3799 37.0174 171.4723 57 C 4.8696 8.2488 113.7831 55.7934 45.0481 174.6328 58 S 4.5987 8.5759 110.3971 58.6905 64.8658 174.0932 59 T 4.2330 7.8138 117.6905 62.1884 69.1243 173.6220 60 D 4.1890 8.7200 125.7723 55.6280 40.7322 174.8295 61 N 4.0704 8.5966 124.5987 53.4769 35.3380 171.7782 62 C 5.1295 8.4037 110.5542 54.5872 43.0683 174.7348 63 N 5.0750 8.1470 117.1057 52.0686 37.4099 172.7130 64 P 4.1994 0.0000 0.0000 62.9459 32.2563 174.8670 65 F 4.2640 8.1319 120.7649 57.4197 39.6144 173.3404 66 P 4.5490 0.0000 0.0000 62.7052 32.3947 175.5657 67 T 4.3040 7.8641 115.4308 64.6351 70.1103 175.8465 68 R 4.0730 7.6105 123.4602 56.9125 30.2761 178.6815 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 I 7.88 4.12 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 1.32 1.26 0.93 0.00 0.00 2 R 8.21 4.28 0.00 1.72 1.81 0.00 3.05 0.00 0.00 3.16 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 3 C 9.31 5.30 0.00 2.76 2.89 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 4 F 8.65 4.72 0.00 3.11 2.90 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 5 I 8.40 4.43 1.88 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 1.19 0.86 0.92 0.00 0.00 6 T 8.38 4.86 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 7 P 0.00 4.74 0.00 2.15 2.13 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 8 D 7.34 4.72 0.00 2.57 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.15 3.45 1.84 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 1.18 0.25 0.72 0.00 0.00 10 T 7.33 4.84 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 nan 0.00 0.00 11 S 8.34 4.76 0.00 3.59 3.11 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 0.00 0.00 0.00 12 K 8.36 4.60 0.00 1.63 1.64 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.32 1.34 7.81 13 D 8.66 4.71 0.00 2.63 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 14 C 8.13 4.74 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.03 0.00 2.15 1.98 0.00 3.57 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 16 N 7.87 3.92 0.00 2.67 2.66 0.00 0.00 7.14 7.65 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 17 G 7.85 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.40 4.55 0.00 3.28 3.38 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.97 4.77 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 0.94 0.00 0.00 1.15 0.00 0.00 20 C 8.83 5.25 0.00 2.96 3.18 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 0.00 0.00 0.00 0.00 21 Y 8.73 5.38 0.00 2.93 3.03 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 22 T 8.63 4.93 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 K 8.89 4.67 0.00 2.19 2.04 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.54 7.81 24 T 9.15 5.15 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 1.17 0.00 0.00 25 W 8.70 5.50 0.00 3.42 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 26 C 9.01 4.81 0.00 3.04 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 27 D 8.50 4.97 0.00 3.03 2.78 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 28 A 8.76 4.26 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 29 F 8.64 4.55 0.00 3.09 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 30 C 8.00 5.56 0.00 3.21 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 31 S 7.95 3.90 0.00 3.86 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 32 I 6.91 3.88 1.57 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.36 0.77 0.00 0.00 33 R 7.22 4.10 0.00 1.65 1.87 0.00 2.93 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 34 G 7.76 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.17 4.18 0.00 1.50 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.38 7.81 36 R 7.96 3.93 0.00 0.67 0.66 0.00 3.05 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.34 0.00 37 V 7.86 4.92 2.13 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 0.92 0.00 0.00 1.07 0.00 0.00 38 D 9.08 4.96 0.00 3.04 2.89 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 39 L 8.88 4.86 0.00 1.63 1.78 1.03 1.14 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 40 G 6.50 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 41 C 7.84 5.59 0.00 3.01 2.95 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 42 A 8.39 4.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 3.95 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 44 T 7.42 4.66 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 45 C 8.62 4.39 0.00 2.98 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 46 P 0.00 4.52 0.00 1.98 1.69 0.00 3.75 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 1.77 1.37 0.00 47 T 8.05 3.96 4.18 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 0.00 0.00 0.00 1.17 0.00 0.00 48 V 7.92 4.21 2.06 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 0.82 0.00 0.00 0.91 0.00 0.00 49 K 8.23 4.13 0.00 1.74 1.62 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.61 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.42 1.33 7.81 50 T 8.18 4.21 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 1.20 0.00 0.00 51 G 9.17 4.20 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 52 V 6.84 3.81 2.12 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 0.75 0.00 0.00 0.87 0.00 0.00 53 D 8.94 5.00 0.00 2.95 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 5.02 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.92 0.00 0.00 55 Q 8.45 4.38 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 56 C 8.62 5.27 0.00 2.94 3.05 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 0.00 0.00 0.00 0.00 57 C 8.25 4.87 0.00 2.95 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 58 S 8.58 4.60 0.00 3.83 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 59 T 7.81 4.23 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 60 D 8.72 4.19 0.00 2.62 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 61 N 8.60 4.07 0.00 2.78 2.76 0.00 0.00 6.81 7.00 0.00 0.00 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 C 8.40 5.13 0.00 3.07 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 63 N 8.15 5.07 0.00 2.90 2.97 0.00 0.00 6.16 7.75 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 64 P 0.00 4.20 0.00 2.14 2.23 0.00 3.95 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 2.03 2.06 0.00 65 F 8.13 4.26 0.00 2.68 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 66 P 0.00 4.55 0.00 2.03 1.93 0.00 2.83 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 67 T 7.86 4.30 4.21 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 1.21 0.00 0.00 68 R 7.61 4.07 0.00 1.77 1.62 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.00