NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 W 5.0225 8.2744 120.6409 56.2704 30.6296 175.2143 3 D 4.4242 8.4271 120.0070 53.0771 42.9160 175.6816 4 R 3.9239 9.3633 124.2108 59.7398 30.5304 177.7896 5 E 4.0063 8.3143 117.6815 59.8552 29.3940 179.5319 6 I 3.8726 7.7523 118.9531 64.5426 37.3135 178.1624 7 N 4.6328 8.6643 119.0737 55.8344 38.3363 177.3011 8 N 4.4345 8.7741 118.6094 56.2021 38.5579 176.8847 9 Y 4.0191 8.1358 121.2021 61.0598 39.1552 178.2219 10 T 3.7440 8.4496 110.9030 64.5160 68.9426 176.8700 11 S 4.2342 8.1962 118.3901 61.2226 62.7798 176.1233 12 L 3.8796 7.7486 122.9286 58.3651 41.8291 179.1364 13 I 3.5523 7.5259 119.6362 64.4851 36.8872 178.1205 14 H 4.1721 8.1862 117.3724 58.9379 28.5827 177.9028 15 S 4.1086 8.0818 115.9022 61.5912 62.7184 176.5952 16 L 3.9834 8.2207 122.9748 57.4681 41.3731 179.5937 17 I 3.8240 8.3041 122.7213 64.8560 37.0252 178.8574 18 E 4.0417 8.4262 119.4185 61.1731 29.4213 181.1252 19 E 4.1264 8.1473 119.5911 59.4027 29.5360 179.4721 20 S 4.0766 8.0498 113.1350 61.3403 62.3143 176.2773 21 Q 3.9685 8.5834 121.1824 58.9646 28.4078 178.1421 22 N 4.2714 8.7331 117.8650 56.5571 38.5419 177.1784 23 Q 3.9436 8.3056 120.8179 59.3205 29.1076 178.3066 24 Q 3.9849 8.2585 119.1517 58.8678 28.6637 178.4018 25 E 3.9197 8.4935 120.6276 59.2094 29.6120 179.0072 26 K 3.9541 8.3620 118.8573 59.5989 32.0755 179.0791 27 N 4.3183 8.5229 117.1271 56.1355 38.4199 177.1077 28 E 3.9168 8.3667 120.7812 59.5444 29.8322 178.9870 29 Q 4.0244 8.2971 118.1957 58.8266 28.6192 178.4343 30 E 3.9635 8.5576 120.8752 59.1853 29.6664 178.8074 31 L 4.0233 8.3860 119.5501 57.7609 41.6610 179.5175 32 L 4.0300 8.1334 118.9901 57.6625 41.5075 179.2269 33 E 4.0165 8.2842 118.5162 59.6993 29.4941 179.5316 34 L 4.1289 8.3258 119.1149 57.7849 41.5189 179.1682 35 D 4.4156 8.3101 118.1995 57.3302 41.1249 178.4630 36 K 4.0340 8.1915 119.0721 59.1005 31.9370 179.2054 37 W 4.2340 8.5378 128.5739 60.4592 30.6708 177.7249 38 A 4.0379 8.6540 121.2016 55.5083 17.7987 179.7681 39 S 4.1364 8.4191 113.6649 61.6022 62.9839 176.7164 40 L 4.0131 8.1280 123.1030 57.9642 41.7983 178.8223 41 W 4.2034 8.1534 128.5804 60.5036 30.5371 177.3947 42 N 4.2031 8.7778 117.5257 56.2707 38.2746 176.5777 43 W 3.9832 8.3599 129.7877 60.5645 30.7209 177.9966 44 F 3.4913 8.2827 117.4803 60.3932 38.2050 177.4747 45 N 4.0796 8.0380 116.2914 56.1478 38.1885 177.6175 46 I 3.7134 7.8880 121.6104 64.5463 37.2137 178.4328 47 T 3.5734 7.4203 116.7576 66.5781 68.1707 175.9274 48 N 4.2962 8.1172 118.9270 56.5565 38.9705 176.6543 49 W 4.1817 8.4535 129.7903 60.5676 30.6014 177.9895 50 L 3.6437 8.5146 119.3990 57.3159 40.7703 179.2951 51 W 4.0711 8.0886 127.7538 60.5677 30.6955 177.1702 52 Y 4.0505 7.9975 119.0667 59.7392 38.3635 176.6833 53 I 3.8115 6.9789 111.4891 60.3433 38.2206 175.7836 54 K 3.8663 7.0644 125.3437 57.2975 32.2530 176.5842 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 W 8.27 5.02 0.00 3.47 3.14 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 0.00 0.00 0.00 3 D 8.43 4.42 0.00 2.89 2.57 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 4 R 9.36 3.92 0.00 1.95 1.95 0.00 3.28 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 5 E 8.31 4.01 0.00 2.03 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 2.41 2.36 0.00 6 I 7.75 3.87 2.16 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.70 0.93 0.00 0.00 7 N 8.66 4.63 0.00 2.95 2.94 0.00 0.00 6.62 6.96 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 8 N 8.77 4.43 0.00 2.93 2.93 0.00 0.00 6.58 7.10 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 9 Y 8.14 4.02 0.00 3.17 3.24 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 0.00 10 T 8.45 3.74 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 1.61 0.00 0.00 11 S 8.20 4.23 0.00 4.12 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 12 L 7.75 3.88 0.00 1.74 1.70 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.53 3.55 1.49 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.06 0.78 0.00 0.00 14 H 8.19 4.17 0.00 3.25 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.08 4.11 0.00 4.05 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 16 L 8.22 3.98 0.00 1.81 1.73 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.30 3.82 1.87 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 1.37 0.58 0.91 0.00 0.00 18 E 8.43 4.04 0.00 1.96 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 2.25 2.23 0.00 19 E 8.15 4.13 0.00 2.16 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 2.32 2.66 0.00 20 S 8.05 4.08 0.00 3.90 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 21 Q 8.58 3.97 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 22 N 8.73 4.27 0.00 2.83 2.87 0.00 0.00 6.71 8.10 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 23 Q 8.31 3.94 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 24 Q 8.26 3.98 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 25 E 8.49 3.92 0.00 2.18 2.11 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 2.30 2.22 0.00 26 K 8.36 3.95 0.00 1.96 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.64 7.81 27 N 8.52 4.32 0.00 2.87 2.87 0.00 0.00 6.68 7.44 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 28 E 8.37 3.92 0.00 2.15 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 0.00 2.31 2.36 0.00 29 Q 8.30 4.02 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 30 E 8.56 3.96 0.00 2.14 2.07 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 2.29 2.38 0.00 31 L 8.39 4.02 0.00 1.85 1.72 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.13 4.03 0.00 1.85 1.74 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.28 4.02 0.00 2.23 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 2.36 2.54 0.00 34 L 8.33 4.13 0.00 1.86 1.79 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.31 4.42 0.00 2.94 2.86 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 36 K 8.19 4.03 0.00 2.16 1.95 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.70 7.81 37 W 8.54 4.23 0.00 3.45 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.04 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.42 4.14 0.00 4.08 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 40 L 8.13 4.01 0.00 1.71 1.57 1.07 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.15 4.20 0.00 2.95 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 42 N 8.78 4.20 0.00 2.97 3.01 0.00 0.00 6.86 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 43 W 8.36 3.98 0.00 3.42 3.29 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 44 F 8.28 3.49 0.00 2.97 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 45 N 8.04 4.08 0.00 2.65 2.67 0.00 0.00 7.03 7.49 0.00 0.00 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 I 7.89 3.71 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.72 0.94 0.00 0.00 47 T 7.42 3.57 3.65 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 0.00 0.00 0.00 0.81 0.00 0.00 48 N 8.12 4.30 0.00 2.82 2.93 0.00 0.00 6.92 8.80 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 49 W 8.45 4.18 0.00 3.44 3.37 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 50 L 8.51 3.64 0.00 1.72 1.66 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.09 4.07 0.00 3.42 3.28 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 52 Y 8.00 4.05 0.00 3.11 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 53 I 6.98 3.81 1.43 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 -0.08 0.43 0.00 0.00 54 K 7.06 3.87 0.00 1.61 1.71 0.00 1.04 0.00 0.00 0.91 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.93 7.81