NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0117 8.2127 109.7453 45.4214 0.0000 173.6116 2 I 3.3447 8.0513 117.5091 63.1612 37.5534 173.4111 3 V 3.5290 8.4307 120.1588 65.8782 31.3394 177.3228 4 E 4.3799 7.9764 119.3049 58.9854 29.2097 178.9459 5 Q 3.8854 7.8925 116.2705 57.7594 29.0390 176.6933 6 C 4.8858 8.3992 115.4779 56.7829 42.3044 174.2901 7 C 4.4178 7.7551 118.9585 61.3288 32.4287 174.9001 8 T 4.0526 8.1697 110.0099 63.3481 68.6990 173.8824 9 S 5.0775 7.2052 114.7053 55.6430 66.1267 173.3913 10 I 3.8258 8.0875 121.5584 61.2068 37.1654 177.1677 11 C 4.7917 8.5745 125.4301 56.4808 44.8559 172.6028 12 S 4.8143 8.0493 115.7405 55.7508 66.7174 174.7385 13 L 3.9838 8.5522 124.4162 58.3802 41.6672 178.4061 14 Y 3.9417 8.1048 118.1186 61.0537 38.9779 177.9777 15 Q 4.3170 8.1259 118.7675 58.9454 28.7844 178.5527 16 L 4.1565 8.1138 120.0319 58.0689 41.6273 179.4219 17 E 4.0301 8.3209 117.6340 58.7011 29.0893 178.7908 18 N 4.2623 7.8414 115.8968 55.1063 38.5573 175.1366 19 Y 4.5342 7.5992 116.2318 57.7193 38.5613 175.6262 20 C 4.4906 7.4709 118.1857 59.1296 29.2077 173.5424 21 N 4.5283 8.5372 117.9389 53.7418 38.2482 175.3773 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 G 8.21 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.05 3.34 0.56 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.32 0.60 0.00 0.00 3 V 8.43 3.53 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 1.07 0.00 0.00 0.88 0.00 0.00 4 E 7.98 4.38 0.00 2.29 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 2.41 2.32 0.00 5 Q 7.89 3.89 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.66 2.64 0.00 6 C 8.40 4.89 0.00 3.03 3.08 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 0.00 0.00 0.00 7 C 7.76 4.42 0.00 2.89 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 8 T 8.17 4.05 4.24 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 1.21 0.00 0.00 9 S 7.21 5.08 0.00 3.80 3.86 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 I 8.09 3.83 1.88 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 1.30 0.54 0.92 0.00 0.00 11 C 8.57 4.79 0.00 3.12 3.01 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 0.00 0.00 0.00 12 S 8.05 4.81 0.00 4.10 3.93 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 13 L 8.55 3.98 0.00 1.81 1.76 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.10 3.94 0.00 3.06 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 15 Q 8.13 4.32 0.00 2.35 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 16 L 8.11 4.16 0.00 1.91 1.78 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.32 4.03 0.00 1.89 1.89 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 2.31 2.47 0.00 18 N 7.84 4.26 0.00 2.64 2.29 0.00 0.00 6.86 7.53 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 19 Y 7.60 4.53 0.00 3.09 2.98 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 0.00 0.00 0.00 20 C 7.47 4.49 0.00 2.89 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 N 8.54 4.53 0.00 2.71 2.72 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00