NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 W 4.8049 8.2744 117.8726 56.5260 30.0141 175.4483 2 S 4.3888 7.1162 112.1931 56.4561 62.1698 172.1363 3 T 4.0574 9.0346 118.4823 66.7314 69.7155 176.9925 4 I 3.6283 7.5085 121.5480 64.2275 37.4503 178.3076 5 V 3.5590 7.7210 118.3416 66.0992 31.3568 177.4207 6 K 2.6578 7.7253 118.4385 59.6796 31.5968 178.3990 7 L 3.9066 7.0021 115.9656 57.9010 41.5588 179.6722 8 T 3.9429 7.4309 114.9737 66.6475 68.7684 176.3163 9 I 3.8684 7.7298 120.2953 64.1094 38.1068 176.9214 10 C 3.9273 7.9071 117.8506 59.6961 35.0165 174.4531 11 P 4.1666 0.0000 0.0000 66.3887 30.6122 178.3636 12 T 3.8496 7.8407 114.9656 66.3277 68.4180 176.3060 13 L 4.0433 7.9361 120.7803 57.7612 41.3072 179.8084 14 K 3.9586 8.2313 118.3765 59.6363 31.7979 179.4212 15 S 4.1364 7.5920 114.1492 61.8183 63.1537 176.1861 16 M 4.1447 8.1321 120.5580 58.6851 31.8020 177.9969 17 A 4.0347 7.9090 119.6953 55.1447 18.4870 179.0520 18 K 3.9851 7.4585 116.0720 58.6980 33.5543 177.3975 19 K 4.5420 7.7460 116.7825 54.8205 31.9161 174.1267 20 C 4.6701 7.6300 118.5760 57.9116 31.2473 173.6657 21 E 4.3013 8.4214 119.9805 56.2998 30.8936 178.1532 22 G 4.0650 8.8912 110.3543 45.9138 0.0000 174.8042 23 S 4.5944 8.0379 111.8630 55.3022 63.9819 176.6722 24 I 3.7351 7.9123 122.9204 63.9520 37.0281 177.3703 25 A 4.0106 8.1721 121.4859 55.7258 18.0145 179.5193 26 T 3.8069 7.6394 113.6214 67.1612 68.5749 176.5918 27 M 4.0825 8.0382 119.8521 58.4521 32.0457 178.4396 28 I 3.7317 7.7422 119.8446 64.6073 37.1508 178.3254 29 K 3.9440 7.7672 118.5869 59.1991 32.0550 178.2624 30 K 4.0462 7.8848 119.0666 59.5524 32.1928 178.5990 31 K 4.2401 7.6566 116.4594 60.1895 32.4727 177.7873 32 C 4.6440 8.0418 114.5041 56.0720 43.0493 171.3333 33 D 4.7342 7.8955 119.8795 52.9680 42.1912 175.2782 34 K 4.0340 8.2610 117.1859 57.6243 31.9543 175.1583 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 W 8.27 4.80 0.00 3.40 3.47 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 2 S 7.12 4.39 0.00 4.20 3.87 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 3 T 9.03 4.06 4.23 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 1.19 0.00 0.00 4 I 7.51 3.63 1.87 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 1.52 0.84 0.90 0.00 0.00 5 V 7.72 3.56 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 1.26 0.00 0.00 1.02 0.00 0.00 6 K 7.73 2.66 0.00 1.46 1.57 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.22 1.11 7.81 7 L 7.00 3.91 0.00 1.66 1.65 0.89 0.85 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 8 T 7.43 3.94 4.37 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 1.21 0.00 0.00 9 I 7.73 3.87 1.94 0.00 0.00 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 1.73 1.32 0.93 0.00 0.00 10 C 7.91 3.93 0.00 2.95 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 11 P 0.00 4.17 0.00 2.23 2.29 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 12 T 7.84 3.85 4.40 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 1.22 0.00 0.00 13 L 7.94 4.04 0.00 1.89 1.77 1.09 1.13 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 14 K 8.23 3.96 0.00 1.94 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.61 7.81 15 S 7.59 4.14 0.00 3.95 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 16 M 8.13 4.14 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 17 A 7.91 4.03 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 18 K 7.46 3.99 0.00 1.80 1.92 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.70 1.65 7.81 19 K 7.75 4.54 0.00 1.68 1.66 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.39 7.81 20 C 7.63 4.67 0.00 3.00 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 21 E 8.42 4.30 0.00 2.00 1.86 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 2.38 2.25 0.00 22 G 8.89 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 23 S 8.04 4.59 0.00 3.81 3.74 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 24 I 7.91 3.74 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.66 0.93 0.00 0.00 25 A 8.17 4.01 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 26 T 7.64 3.81 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 1.22 0.00 0.00 27 M 8.04 4.08 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.71 0.00 28 I 7.74 3.73 2.07 0.00 0.00 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 1.65 1.20 0.99 0.00 0.00 29 K 7.77 3.94 0.00 1.79 1.99 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 30 K 7.88 4.05 0.00 1.95 2.06 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.57 7.81 31 K 7.66 4.24 0.00 2.10 2.22 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.78 1.81 7.81 32 C 8.04 4.64 0.00 3.08 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 33 D 7.90 4.73 0.00 2.68 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 34 K 8.26 4.03 0.00 1.79 1.73 0.00 1.48 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.44 7.81