NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.1097 8.1600 109.1362 45.3066 0.0000 174.0566 2 I 3.4404 8.1074 117.7260 63.6186 37.6417 173.0734 3 V 3.5222 8.4122 114.1728 64.2669 31.7551 177.6659 4 E 3.9503 8.1096 117.8222 59.6307 29.4974 179.4284 5 Q 4.0272 8.3077 117.8948 58.8106 28.7110 177.2537 6 C 4.7713 8.5815 114.3331 57.4298 40.8524 174.5035 7 C 4.3256 8.1339 117.9036 59.9820 28.7904 174.8571 8 T 4.1520 7.7634 110.2727 63.4038 69.1754 174.7100 9 S 4.6890 7.1479 111.6882 55.4424 65.6681 172.7136 10 I 3.9754 8.1727 124.5356 60.6765 38.3057 176.1087 11 C 4.7699 8.6003 125.7107 56.3516 41.7641 174.3185 12 S 4.5540 9.5803 119.8719 57.6044 65.2200 175.4898 13 L 4.0656 8.3956 121.0608 57.9348 41.0025 179.1031 14 Y 4.1879 7.9887 118.4924 60.8833 39.0193 177.6954 15 Q 3.8253 7.9433 119.0766 58.8161 28.8275 178.6664 16 L 4.2597 8.0616 120.0855 57.7148 41.6199 179.2234 17 E 4.0091 8.6893 118.9506 59.2151 29.0622 178.5795 18 N 3.9504 7.3112 116.2710 56.5751 38.8483 175.4415 19 Y 4.3550 7.5484 115.0674 57.5901 38.6787 175.6741 20 C 4.4117 7.3725 118.4125 59.3856 29.0129 173.4897 21 N 4.5338 8.5942 118.6012 53.7496 38.1601 175.2291 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 8.16 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.11 3.44 1.17 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.06 0.68 0.00 0.00 3 V 8.41 3.52 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 0.70 0.00 0.00 0.91 0.00 0.00 4 E 8.11 3.95 0.00 2.27 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 2.40 2.47 0.00 5 Q 8.31 4.03 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 6 C 8.58 4.77 0.00 2.95 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.33 0.00 3.04 2.94 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 8 T 7.76 4.15 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 1.30 0.00 0.00 9 S 7.15 4.69 0.00 3.87 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 10 I 8.17 3.98 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 1.43 0.94 0.92 0.00 0.00 11 C 8.60 4.77 0.00 3.03 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 12 S 9.58 4.55 0.00 4.08 4.08 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 13 L 8.40 4.07 0.00 1.77 1.81 0.95 0.70 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 14 Y 7.99 4.19 0.00 2.91 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 15 Q 7.94 3.83 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 16 L 8.06 4.26 0.00 1.90 1.77 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.69 4.01 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 18 N 7.31 3.95 0.00 2.21 2.30 0.00 0.00 7.20 8.89 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 19 Y 7.55 4.35 0.00 3.14 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 20 C 7.37 4.41 0.00 3.02 2.87 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 21 N 8.59 4.53 0.00 2.72 2.73 0.00 0.00 6.81 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