NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2157 8.1733 120.1347 54.4875 34.4574 178.2371 2 K 3.6364 8.8365 120.4770 55.9954 31.2452 172.4363 3 K 3.6808 10.1624 121.0174 55.1047 33.0628 173.6443 4 P 4.5516 0.0000 0.0000 61.9996 33.1920 174.8154 5 L 4.3602 8.2102 118.7815 53.9715 41.8184 176.7843 6 D 4.5602 8.5979 123.9042 53.3731 41.6079 176.5141 7 G 3.6170 8.2481 109.8149 45.6250 0.0000 173.4631 8 E 3.7095 8.6206 122.3203 56.8842 29.9661 176.4614 9 Y 4.4212 8.0302 120.6995 57.0144 39.2839 174.9809 10 F 4.8803 8.5415 121.0166 55.8798 42.8283 174.6831 11 T 4.6207 8.4899 113.8840 60.5414 70.4182 173.9854 12 L 4.6297 8.0602 123.6760 53.5587 45.1381 175.1451 13 Q 4.2242 8.7221 127.2850 55.4674 29.7149 174.6861 14 I 4.2828 8.1352 125.7098 59.2084 39.4525 175.3919 15 R 3.9254 8.3513 125.9042 56.7954 30.9416 172.5222 16 G 3.8916 8.7407 118.4546 45.5592 0.0000 174.2383 17 R 3.9093 8.6215 125.4835 59.2600 30.1123 177.8590 18 E 3.9731 8.2051 118.6407 59.4388 29.6170 178.6042 19 R 4.0202 8.0525 118.1537 59.3177 30.0977 177.9569 20 F 4.0522 8.2107 120.4415 61.4702 39.4561 176.8989 21 E 3.9471 8.4840 118.1546 59.5545 29.2663 179.1147 22 M 4.0279 8.1773 118.0955 58.8291 32.4284 178.3074 23 F 3.8064 9.1667 118.4481 60.3770 38.9696 177.5743 24 R 3.6780 8.3249 118.7009 59.2465 29.7945 178.1172 25 E 3.8585 8.1351 118.9543 59.3802 29.5884 178.8094 26 L 3.9220 7.7257 118.8947 57.6139 41.5542 178.9636 27 N 4.2422 8.4723 117.2880 56.8979 38.9229 176.7592 28 E 3.9370 8.8742 120.0554 59.2186 29.6586 179.2125 29 A 3.9704 8.5455 121.0661 55.2873 18.3971 179.7249 30 L 3.9425 8.0875 117.5252 57.9820 41.6352 179.5781 31 E 3.9541 8.3852 118.6512 59.2069 29.4708 179.1521 32 L 3.9183 8.2760 120.7337 58.1159 42.1405 178.9443 33 K 3.9399 7.9218 119.1690 59.6483 32.0434 178.3661 34 D 4.2904 8.3526 119.1603 57.3253 40.4936 178.6311 35 A 3.9918 7.8919 120.4025 55.3645 18.6037 179.4170 36 Q 4.0913 8.0926 115.7035 58.6681 28.6118 178.5409 37 A 4.1216 8.4569 121.9090 54.7057 18.4369 179.2361 38 G 3.7300 7.8597 101.1277 44.7047 0.0000 173.5405 39 K 4.2133 7.5952 123.1178 55.3274 32.9253 176.6837 40 E 4.1089 8.6347 125.3890 55.5790 30.0264 175.1612 41 P 4.2713 0.0000 0.0000 64.0581 31.8762 176.5982 42 G 4.0544 8.5926 106.8661 46.0326 0.0000 173.4935 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 K 8.17 4.22 0.00 1.81 1.93 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.42 7.81 2 K 8.84 3.64 0.00 1.96 1.93 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.59 7.81 3 K 10.16 3.68 0.00 1.90 1.81 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.37 7.81 4 P 0.00 4.55 0.00 2.18 2.10 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 5 L 8.21 4.36 0.00 1.65 1.66 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.60 4.56 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 3.62 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 0.00 0.00 0.00 8 E 8.62 3.71 0.00 2.07 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 9 Y 8.03 4.42 0.00 2.85 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 10 F 8.54 4.88 0.00 3.07 2.99 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 11 T 8.49 4.62 4.31 0.00 0.00 0.00 0.00 0.00 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 12 L 8.06 4.63 0.00 1.64 1.61 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.72 4.22 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.47 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 14 I 8.14 4.28 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.96 0.46 0.00 0.00 15 R 8.35 3.93 0.00 1.73 1.77 0.00 3.26 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 16 G 8.74 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 0.00 0.00 0.00 17 R 8.62 3.91 0.00 1.88 1.96 0.00 3.17 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 18 E 8.21 3.97 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 19 R 8.05 4.02 0.00 1.93 2.15 0.00 3.16 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.84 0.00 20 F 8.21 4.05 0.00 3.22 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 21 E 8.48 3.95 0.00 2.31 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 2.51 2.69 0.00 22 M 8.18 4.03 0.00 2.49 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 23 F 9.17 3.81 0.00 3.03 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 24 R 8.32 3.68 0.00 1.14 1.84 0.00 3.22 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.52 0.00 25 E 8.14 3.86 0.00 2.06 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 2.27 2.33 0.00 26 L 7.73 3.92 0.00 1.68 1.53 0.51 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.47 4.24 0.00 2.75 2.95 0.00 0.00 7.27 7.76 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 28 E 8.87 3.94 0.00 2.05 1.98 0.00 0.00 0.00 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 2.44 0.00 29 A 8.55 3.97 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 30 L 8.09 3.94 0.00 1.82 1.71 0.88 0.99 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 31 E 8.39 3.95 0.00 2.17 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 2.37 2.54 0.00 32 L 8.28 3.92 0.00 1.79 1.83 0.92 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.92 3.94 0.00 1.89 1.91 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 34 D 8.35 4.29 0.00 3.00 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 35 A 7.89 3.99 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 36 Q 8.09 4.09 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 37 A 8.46 4.12 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 38 G 7.86 3.73 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 0.00 0.00 0.00 39 K 7.60 4.21 0.00 1.76 1.74 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 40 E 8.63 4.11 0.00 2.00 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 2.32 2.31 0.00 41 P 0.00 4.27 0.00 2.17 2.06 0.00 3.80 0.00 0.00 3.66 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 42 G 8.59 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 0.00 0.00 0.00