NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3953 8.3344 115.3956 57.8074 64.6271 172.9324 2 V 3.0853 8.5025 129.7181 63.0945 30.0239 174.9636 3 Q 3.6864 7.5030 116.1216 55.5145 33.0946 174.3601 4 A 3.5253 5.8000 118.4475 52.9479 17.8144 175.6844 5 R 3.9842 8.7962 109.9663 56.3576 29.0846 175.7213 6 W 4.7979 8.1291 117.1455 56.6444 31.5690 172.6091 7 E 3.3525 8.2167 117.1096 58.7045 27.8195 179.4868 8 A 4.2388 7.6815 119.6491 49.2170 18.7024 177.0498 9 A 4.5871 7.9260 122.9471 52.4381 19.3434 175.9918 10 F 4.7230 8.5368 115.5657 56.7558 41.9147 175.2121 11 D 4.8804 8.6156 127.3749 54.5710 43.9951 176.8633 12 L 4.2977 7.9583 118.2994 55.5522 42.6681 176.8838 13 D 4.7759 8.2469 114.7410 53.7408 38.4727 174.8621 14 L 4.0813 7.5688 121.9148 59.0438 41.9234 177.1774 15 Y 4.1682 7.7630 119.7434 58.5961 38.7678 173.9432 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 S 8.33 4.40 0.00 3.89 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 2 V 8.50 3.09 1.85 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 -0.03 0.00 0.00 0.18 0.00 0.00 3 Q 7.50 3.69 0.00 0.93 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 5.87 0.00 0.00 0.00 0.00 0.00 2.08 2.35 0.00 4 A 5.80 3.53 1.28 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 0.00 0.00 5 R 8.80 3.98 0.00 2.11 2.27 0.00 3.45 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 6 W 8.13 4.80 0.00 3.44 3.20 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 7 E 8.22 3.35 0.00 1.21 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.00 0.00 8 A 7.68 4.24 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.59 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.72 0.00 3.01 2.76 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 11 D 8.62 4.88 0.00 2.62 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.30 0.00 1.72 1.66 0.81 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.25 4.78 0.00 2.87 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 4.08 0.00 1.81 1.92 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.76 4.17 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00