NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7895 8.3133 118.1648 56.6675 42.3725 175.1697 2 S 3.6637 7.5453 113.6173 58.9611 63.0086 172.2984 3 L 4.2940 8.0282 122.8484 53.7070 42.8612 175.1655 4 D 4.4172 9.3224 129.1303 55.9681 39.7440 172.8033 5 N 4.4024 8.3269 108.8145 53.3177 37.7818 174.3231 6 G 4.0341 8.7902 100.8131 45.6948 0.0000 174.4450 7 D 4.4700 8.3038 115.9459 54.6750 40.2578 173.1933 8 C 4.6393 7.9609 114.4171 56.1871 41.1607 173.8377 9 D 4.5194 8.6864 123.5098 57.0529 42.2049 177.2923 10 Q 4.3714 7.7070 111.4968 55.7499 30.7143 179.1572 11 F 4.7182 5.7793 126.9249 58.7025 40.4547 173.2747 12 C 5.5431 8.8411 121.7123 55.3338 46.5911 172.6462 13 H 4.9726 9.2404 121.9128 53.8862 32.6659 172.8853 14 E 4.8511 8.4621 121.0454 55.0973 28.1802 174.7264 15 E 4.1702 8.6411 121.7289 56.8406 30.7858 177.5746 16 Q 3.4241 9.2918 122.8070 57.3680 26.4691 172.6815 17 N 4.1934 8.3706 109.5698 54.1747 37.6704 173.3780 18 S 4.6011 7.7856 109.2062 56.1225 65.9707 172.6037 19 V 4.1826 8.3667 127.6730 62.8777 32.3775 175.4738 20 V 4.4130 8.9238 127.0798 60.3005 33.8681 174.2246 21 C 5.3891 8.9038 123.1294 56.3839 37.2012 172.8681 22 S 4.7822 8.8293 114.7956 57.7888 66.6637 171.7989 23 C 4.8808 8.5363 116.3000 54.5859 39.0086 173.8858 24 A 4.5198 8.8157 123.6302 51.3180 18.7792 177.2167 25 R 4.0276 8.4208 119.8992 58.2415 30.6283 176.9617 26 G 3.9677 9.4605 112.4514 45.0901 0.0000 172.0226 27 Y 5.3374 7.5705 116.1699 56.1860 41.6890 175.0442 28 T 4.7635 8.8566 111.8965 59.5590 72.1879 172.9377 29 L 4.6002 8.5404 125.9260 54.8607 42.9376 176.4168 30 A 4.2788 9.1478 128.4308 51.6749 19.3644 178.1203 31 D 4.2718 8.7843 118.9456 57.5126 40.8941 177.8805 32 N 4.4731 8.1906 113.5819 52.7544 37.6006 175.3491 33 G 4.0063 8.2814 106.8062 46.5182 0.0000 174.1992 34 K 4.4816 8.7617 118.5253 57.5619 35.5042 176.8882 35 A 4.8290 8.2567 120.5803 51.9023 20.1369 176.8297 36 C 5.3003 9.2624 117.8388 55.3167 41.8006 173.6479 37 I 4.5980 8.7815 125.8234 58.7677 38.8379 173.7094 38 P 4.0690 0.0000 0.0000 63.3891 31.2871 176.4216 39 T 3.9889 8.9835 118.7166 63.1266 67.6657 174.9855 40 G 3.9584 6.9644 107.2809 45.9109 0.0000 170.8568 41 P 4.0054 0.0000 0.0000 63.8391 32.6565 175.7911 42 Y 3.5760 7.6670 117.2575 58.5163 35.3151 168.7801 43 P 4.2584 0.0000 0.0000 62.1798 32.6513 176.5772 44 C 4.3224 8.4337 115.0577 59.6986 29.9563 174.0695 45 G 3.9595 8.8625 108.5034 45.8856 0.0000 173.2127 46 K 4.6309 7.4177 117.7289 54.0719 34.0444 176.4794 47 Q 4.2133 8.5913 122.8711 56.0323 29.3946 175.7990 48 T 4.5074 8.3107 111.4020 60.9297 70.2193 174.5332 49 L 4.5637 8.4446 123.3243 55.8443 43.5142 176.3829 50 E 4.2966 7.9537 121.5877 56.7704 30.4588 174.6860 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 C 8.31 4.79 0.00 3.16 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 2 S 7.55 3.66 0.00 3.86 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 3 L 8.03 4.29 0.00 1.66 1.56 0.92 1.21 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 4 D 9.32 4.42 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.33 4.40 0.00 2.96 2.78 0.00 0.00 7.57 7.90 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 6 G 8.79 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 7 D 8.30 4.47 0.00 2.79 2.77 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 8 C 7.96 4.64 0.00 3.07 2.97 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 9 D 8.69 4.52 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.71 4.37 0.00 1.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.94 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 11 F 5.78 4.72 0.00 3.05 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 12 C 8.84 5.54 0.00 2.96 2.93 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 0.00 0.00 0.00 13 H 9.24 4.97 0.00 3.15 3.15 0.00 5.83 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 14 E 8.46 4.85 0.00 1.83 1.89 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 2.22 2.31 0.00 15 E 8.64 4.17 0.00 1.99 1.88 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 2.34 2.31 0.00 16 Q 9.29 3.42 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 17 N 8.37 4.19 0.00 2.82 2.85 0.00 0.00 6.92 7.63 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 18 S 7.79 4.60 0.00 3.87 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 19 V 8.37 4.18 2.09 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 0.87 0.00 0.00 0.94 0.00 0.00 20 V 8.92 4.41 2.10 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 0.88 0.00 0.00 0.98 0.00 0.00 21 C 8.90 5.39 0.00 3.01 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 22 S 8.83 4.78 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 8.54 4.88 0.00 2.81 2.85 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 24 A 8.82 4.52 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 25 R 8.42 4.03 0.00 1.86 1.93 0.00 3.25 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 26 G 9.46 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 0.00 0.00 0.00 27 Y 7.57 5.34 0.00 2.83 2.77 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 28 T 8.86 4.76 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 29 L 8.54 4.60 0.00 1.67 1.63 1.01 1.08 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 30 A 9.15 4.28 1.33 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 0.00 0.00 0.00 31 D 8.78 4.27 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.19 4.47 0.00 2.81 2.93 0.00 0.00 6.00 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 33 G 8.28 4.01 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 0.00 0.00 0.00 34 K 8.76 4.48 0.00 1.76 1.93 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.55 7.81 35 A 8.26 4.83 1.23 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 0.00 0.00 36 C 9.26 5.30 0.00 2.51 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 37 I 8.78 4.60 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.09 0.92 0.00 0.00 38 P 0.00 4.07 0.00 1.79 1.70 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 39 T 8.98 3.99 4.19 0.00 0.00 0.00 0.00 0.00 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 40 G 6.96 3.96 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 0.00 0.00 0.00 41 P 0.00 4.01 0.00 2.17 1.95 0.00 3.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 42 Y 7.67 3.58 0.00 3.17 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 43 P 0.00 4.26 0.00 1.74 1.66 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.80 0.00 44 C 8.43 4.32 0.00 3.19 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 45 G 8.86 3.96 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 0.00 0.00 0.00 46 K 7.42 4.63 0.00 1.86 1.77 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.60 7.81 47 Q 8.59 4.21 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 48 T 8.31 4.51 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 49 L 8.44 4.56 0.00 1.64 1.75 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.95 4.30 0.00 1.92 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 2.24 2.32 0.00