NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5262 8.1776 116.8090 58.4274 65.3311 174.5621 2 E 4.4224 7.8300 119.0396 56.2323 30.3122 175.8095 3 Y 3.9197 8.4590 124.1399 60.6227 40.3535 177.3739 4 A 4.6120 7.9140 117.0183 52.1367 21.5712 176.4536 5 S 4.6146 7.4222 113.1579 60.8151 64.2778 176.6791 6 K 4.1034 7.8575 120.5111 58.9649 31.6771 179.4493 7 V 3.6185 7.8449 112.2244 64.3747 31.5962 177.0361 8 D 4.5883 7.8762 116.8124 56.5176 41.3471 178.3165 9 E 4.0047 8.2271 117.3296 59.0040 29.8714 177.0452 10 Y 4.3234 8.4770 119.0561 57.8119 39.7611 177.3190 11 V 3.7262 7.6265 120.4439 65.5057 31.0351 178.3718 12 G 3.5766 7.9902 105.4216 47.7736 0.0000 175.2776 13 E 3.7653 7.6263 121.1111 58.5447 29.2429 179.3810 14 V 3.5901 7.3611 118.3056 66.0442 31.5182 177.5021 15 E 3.8650 8.2198 118.9774 59.3400 29.2938 178.0888 16 N 4.1980 7.9955 116.8550 56.8269 38.8779 176.1001 17 D 4.3272 8.2049 119.2125 57.3504 41.2517 177.9372 18 L 3.9375 8.0800 119.5994 58.0089 41.5023 178.9996 19 Q 3.9389 8.2510 119.5726 59.4644 28.6449 179.3606 20 K 3.9995 7.5270 117.4846 59.6443 32.2707 179.0059 21 S 4.4729 8.0215 114.2910 60.2609 63.8854 175.2197 22 K 4.4549 8.0776 122.8590 54.4402 32.2249 176.1437 23 V 4.0952 8.0872 129.7662 60.5862 31.3905 176.9426 24 A 3.9488 8.5801 114.3294 53.7096 16.5577 177.2864 25 V 3.4174 7.2026 120.2876 63.2518 32.7112 172.3117 26 S 4.3088 8.4964 117.2455 58.9365 62.6192 174.5241 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 8.18 4.53 0.00 3.93 3.91 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 0.00 0.00 0.00 2 E 7.83 4.42 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 3 Y 8.46 3.92 0.00 2.98 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 4 A 7.91 4.61 1.31 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 0.00 0.00 0.00 5 S 7.42 4.61 0.00 4.04 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 6 K 7.86 4.10 0.00 1.83 1.83 0.00 1.61 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.65 7.81 7 V 7.84 3.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.00 0.00 0.00 8 D 7.88 4.59 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 4.00 0.00 2.06 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 2.45 2.28 0.00 10 Y 8.48 4.32 0.00 3.01 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 11 V 7.63 3.73 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 12 G 7.99 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.63 3.77 0.00 1.16 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 14 V 7.36 3.59 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.17 0.00 0.00 15 E 8.22 3.87 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 16 N 8.00 4.20 0.00 2.74 2.87 0.00 0.00 6.86 7.77 0.00 0.00 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 D 8.20 4.33 0.00 2.76 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 18 L 8.08 3.94 0.00 1.96 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.25 3.94 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 20 K 7.53 4.00 0.00 1.86 1.85 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.57 7.81 21 S 8.02 4.47 0.00 4.03 3.95 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 22 K 8.08 4.45 0.00 1.63 1.66 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.34 7.81 23 V 8.09 4.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.93 0.00 0.00 24 A 8.58 3.95 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.20 3.42 2.08 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 0.71 0.00 0.00 0.93 0.00 0.00 26 S 8.50 4.31 0.00 3.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00