NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4261 8.1885 116.7990 58.6247 65.0192 175.3852 1 A 3.9804 8.4276 126.9021 54.4090 19.1311 177.9034 2 R 3.9364 8.8901 118.2430 59.9452 30.4334 176.7137 3 N 4.3414 8.2875 115.3043 56.3272 38.6357 177.1754 4 A 3.9962 7.7522 120.8544 55.0802 18.3739 179.0675 5 Y 4.0352 8.5139 118.5674 60.9514 38.8926 178.4107 6 L 3.6042 8.1758 119.9939 57.5347 41.7202 179.6166 7 R 3.8542 8.0781 118.1201 59.3692 29.9289 179.3495 8 K 3.9493 7.9324 118.1566 59.1419 31.9764 179.4449 9 K 3.7805 7.8963 120.1680 59.3997 32.0650 178.9717 10 I 3.6380 8.0328 120.3486 64.3639 37.0815 178.3229 11 A 4.0256 8.1147 121.4697 54.9776 18.1216 179.8095 12 R 4.0706 7.6683 116.7502 59.0457 30.1882 179.0549 13 L 4.1060 7.9536 118.9450 57.6528 41.7164 179.5940 14 K 4.0431 8.0810 118.2952 58.8990 31.8505 179.4413 15 K 4.1007 7.6468 117.6049 58.9398 32.0290 179.1125 16 D 4.3190 8.4820 119.9071 57.2285 40.7813 178.1199 17 N 4.2719 8.4371 117.8659 56.8402 38.9951 176.7641 18 L 3.9971 7.7589 119.8655 57.9052 41.6600 179.4431 19 Q 3.9521 7.9244 119.3644 59.1772 29.0464 178.1847 20 L 4.3893 7.9901 121.3352 57.1514 41.5571 179.4438 21 E 3.9737 8.2919 118.7237 59.4523 29.4131 179.5154 22 R 3.9285 7.9503 118.0685 59.2356 29.9398 178.6434 23 D 4.3551 8.5098 119.1350 57.4503 40.7842 178.6528 24 E 3.9935 8.2500 119.4147 59.4751 29.7915 178.6955 25 Q 3.9832 8.0315 118.0318 59.2984 28.8304 178.8102 26 N 4.4875 8.2445 116.9959 55.7198 38.6206 177.6544 27 L 4.0425 8.0165 120.9503 57.6608 41.6427 179.1702 28 E 3.9909 8.4709 118.8535 59.2577 29.3766 179.5558 29 K 3.9550 7.9687 118.2422 59.5769 32.1666 179.2931 30 I 3.7034 7.8037 119.9781 64.5423 36.9221 178.6280 31 I 3.7012 7.8003 120.1819 64.3750 36.9708 178.3278 32 A 3.9825 8.3142 121.9750 55.3116 18.1488 179.4918 33 N 4.3241 8.2306 115.0474 56.3720 38.5346 177.7459 34 L 4.0376 8.1184 120.5314 57.6663 41.6698 179.7398 35 R 3.8936 8.2910 118.4302 59.0961 30.0145 178.3226 36 D 4.2623 8.2149 117.8852 57.4235 41.2453 177.6895 37 E 3.9196 8.2335 119.5680 59.6977 29.5382 178.9664 38 I 3.6916 8.0304 119.4083 64.2761 36.9320 178.1803 39 A 4.1339 8.0080 121.5787 55.4888 18.0127 179.9882 40 R 3.9304 7.9071 115.1705 59.0772 30.3963 178.9695 41 L 4.1568 8.1206 119.1424 57.7278 41.4574 179.1684 42 E 4.0231 8.4210 118.6135 59.4861 29.0967 179.1517 43 N 4.4109 7.6522 115.7475 55.9679 38.6588 177.0308 44 E 4.1282 7.8745 119.6978 59.2372 29.5854 179.3737 45 V 3.7790 7.7946 110.9969 63.6510 31.8422 175.9557 46 A 4.3062 7.5621 124.5239 52.2041 19.0981 175.4953 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 0 S 8.19 4.43 0.00 3.91 3.76 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 1 A 8.43 3.98 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 2 R 8.89 3.94 0.00 1.91 1.99 0.00 3.20 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 1.77 1.79 0.00 3 N 8.29 4.34 0.00 2.99 2.86 0.00 0.00 6.99 7.13 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 4 A 7.75 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 5 Y 8.51 4.04 0.00 3.06 3.25 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 0.00 6 L 8.18 3.60 0.00 1.72 1.65 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.08 3.85 0.00 1.82 1.95 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.91 0.00 8 K 7.93 3.95 0.00 1.97 1.80 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 7.90 3.78 0.00 1.20 1.52 0.00 1.44 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.21 1.38 7.81 10 I 8.03 3.64 2.03 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 1.41 0.59 0.88 0.00 0.00 11 A 8.11 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.67 4.07 0.00 1.90 1.96 0.00 3.12 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 13 L 7.95 4.11 0.00 1.83 1.69 0.88 0.79 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 14 K 8.08 4.04 0.00 1.81 1.84 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 15 K 7.65 4.10 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.46 7.81 16 D 8.48 4.32 0.00 2.82 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 17 N 8.44 4.27 0.00 2.78 2.96 0.00 0.00 7.27 6.40 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 18 L 7.76 4.00 0.00 1.76 1.70 0.94 0.50 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 19 Q 7.92 3.95 0.00 2.20 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 20 L 7.99 4.39 0.00 1.89 1.70 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.29 3.97 0.00 2.25 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 2.32 2.55 0.00 22 R 7.95 3.93 0.00 2.06 1.97 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 23 D 8.51 4.36 0.00 2.76 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 24 E 8.25 3.99 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.35 0.00 25 Q 8.03 3.98 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 26 N 8.24 4.49 0.00 2.75 2.86 0.00 0.00 7.06 6.90 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 27 L 8.02 4.04 0.00 1.85 1.71 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.47 3.99 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 29 K 7.97 3.95 0.00 2.04 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.48 7.81 30 I 7.80 3.70 2.02 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 0.99 0.91 0.00 0.00 31 I 7.80 3.70 2.06 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 0.77 0.91 0.00 0.00 32 A 8.31 3.98 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 33 N 8.23 4.32 0.00 2.97 2.87 0.00 0.00 7.01 6.90 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 34 L 8.12 4.04 0.00 1.70 1.71 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.29 3.89 0.00 2.04 1.97 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 36 D 8.21 4.26 0.00 2.85 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 37 E 8.23 3.92 0.00 2.16 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 2.31 2.37 0.00 38 I 8.03 3.69 1.99 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 0.51 0.91 0.00 0.00 39 A 8.01 4.13 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 40 R 7.91 3.93 0.00 1.96 2.00 0.00 3.32 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 41 L 8.12 4.16 0.00 1.84 1.71 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.42 4.02 0.00 2.20 2.01 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 2.33 2.62 0.00 43 N 7.65 4.41 0.00 2.86 2.87 0.00 0.00 7.05 7.50 0.00 0.00 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 E 7.87 4.13 0.00 2.12 2.01 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 2.60 2.49 0.00 45 V 7.79 3.78 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.00 0.00 0.00 46 A 7.56 4.31 1.18 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 0.00 0.00