NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2436 8.4293 121.4693 56.1818 30.6050 173.6642 2 C 5.0677 8.6253 120.0764 53.1673 43.4599 171.0328 3 L 4.7743 8.6679 118.7156 52.8218 44.2973 178.9167 4 G 4.0716 8.5277 110.9684 45.1354 0.0000 172.1810 5 F 4.1063 8.5813 122.4759 58.9956 39.7396 173.5937 6 G 4.2745 7.4403 117.0019 45.9590 0.0000 174.7330 7 K 4.1164 7.9064 119.7428 56.3341 33.0668 176.9893 8 G 4.4033 8.6722 111.7464 45.9337 0.0000 171.4659 9 C 5.0704 8.4619 116.2731 54.0719 43.8523 172.9129 10 N 4.8170 8.6369 115.9802 51.9986 39.0670 175.0170 11 P 4.3638 0.0000 0.0000 65.6824 31.8560 177.9834 12 S 4.2444 8.1216 112.6850 60.2884 63.2369 173.7074 13 N 4.8021 7.3534 117.7222 50.4851 38.2403 171.1549 14 D 4.4083 8.2230 117.9748 55.0347 41.3816 176.3024 15 Q 4.5212 8.4928 122.3650 55.6456 29.1645 176.5945 16 C 4.7998 7.7932 115.6117 56.4981 39.3441 174.0793 17 C 4.4459 8.8432 123.8267 56.8676 38.0705 174.4713 18 K 4.1815 8.5345 124.6615 57.1102 32.3963 178.7362 19 S 4.0514 8.1296 114.1097 60.9393 62.3635 174.7341 20 S 4.6086 7.9472 111.7705 57.4247 62.7130 173.2663 21 N 4.0798 7.5029 114.0134 54.0931 37.0077 172.9475 22 L 4.8006 7.5673 116.2761 52.8171 44.8094 177.7744 23 V 4.4651 8.3374 115.2512 59.3571 36.1649 173.9857 24 C 4.7531 8.8679 124.0899 56.1733 39.6856 173.5388 25 S 4.4305 9.1244 121.7419 58.7776 63.0324 174.9280 26 R 4.1520 8.6655 121.2075 57.9992 30.7485 178.0516 27 A 4.2357 8.0263 119.3327 54.3914 19.1172 177.7559 28 H 4.4209 8.2426 110.9399 55.5153 30.4620 174.9599 29 R 4.4307 8.3870 118.2590 55.5165 27.9790 173.8636 30 W 5.6541 7.6757 114.1600 55.0937 32.4070 176.0161 31 C 4.5989 8.8535 119.1405 56.8454 40.9492 173.2927 32 K 4.1870 8.5174 122.7537 54.9534 36.3401 175.3162 33 Y 4.8260 8.4610 118.5881 56.7867 39.4366 175.3242 34 E 4.1938 8.7286 120.2098 56.3223 30.2742 177.4815 35 I 4.0257 8.2559 114.5988 61.2383 37.9494 175.6859 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 E 8.43 4.24 0.00 1.94 1.93 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 2.19 2.25 0.00 2 C 8.63 5.07 0.00 3.11 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 3 L 8.67 4.77 0.00 1.63 1.56 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.53 4.07 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 0.00 0.00 0.00 5 F 8.58 4.11 0.00 2.76 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 6 G 7.44 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 0.00 0.00 0.00 7 K 7.91 4.12 0.00 1.84 1.74 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.41 7.81 8 G 8.67 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 0.00 0.00 0.00 0.00 9 C 8.46 5.07 0.00 2.96 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 10 N 8.64 4.82 0.00 2.78 2.77 0.00 0.00 6.59 8.04 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 11 P 0.00 4.36 0.00 2.19 2.20 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 12 S 8.12 4.24 0.00 4.00 4.05 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 13 N 7.35 4.80 0.00 2.77 2.71 0.00 0.00 7.22 8.35 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 14 D 8.22 4.41 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.49 4.52 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.29 7.07 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 16 C 7.79 4.80 0.00 2.99 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 17 C 8.84 4.45 0.00 3.04 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 18 K 8.53 4.18 0.00 1.84 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.39 7.81 19 S 8.13 4.05 0.00 3.82 3.89 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 20 S 7.95 4.61 0.00 3.87 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 21 N 7.50 4.08 0.00 2.89 2.82 0.00 0.00 6.88 7.18 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 22 L 7.57 4.80 0.00 1.57 1.26 0.79 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.34 4.47 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 0.66 0.00 0.00 0.90 0.00 0.00 24 C 8.87 4.75 0.00 3.10 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 25 S 9.12 4.43 0.00 4.23 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 0.00 26 R 8.67 4.15 0.00 1.87 1.98 0.00 3.27 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 27 A 8.03 4.24 1.20 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 28 H 8.24 4.42 0.00 3.33 2.98 0.00 6.05 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.39 4.43 0.00 2.04 1.97 0.00 3.23 0.00 0.00 3.37 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 30 W 7.68 5.65 0.00 3.45 3.02 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 0.00 0.00 0.00 31 C 8.85 4.60 0.00 2.75 2.80 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 32 K 8.52 4.19 0.00 1.66 0.89 0.00 1.32 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.14 1.27 7.81 33 Y 8.46 4.83 0.00 2.88 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 34 E 8.73 4.19 0.00 2.01 1.91 0.00 0.00 0.00 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 2.48 0.00 35 I 8.26 4.03 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.56 0.98 0.00 0.00