NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0052 8.2127 109.7438 45.7415 0.0000 175.8261 2 I 4.2254 8.1460 118.3644 62.1257 39.1918 172.9022 3 V 3.5380 8.5429 120.3488 65.8335 32.3768 177.0148 4 E 3.9821 8.2556 117.8346 59.7418 28.9881 179.1361 5 Q 3.9875 7.5199 116.4443 58.5636 29.2016 176.4607 6 C 4.7071 7.3571 113.0430 57.8707 41.6487 174.7617 7 C 4.2227 9.4425 119.7698 62.2268 31.7066 174.5183 8 T 4.0022 8.0657 114.9781 66.3049 68.2267 173.9505 9 S 4.9169 7.0759 113.6517 56.5210 65.4844 173.5186 10 I 4.1827 8.0046 120.4206 61.4785 37.8651 175.5834 11 C 4.9646 8.2711 120.2648 54.2705 45.6083 173.4863 12 S 4.9126 8.3010 118.2954 56.0587 65.7755 174.4853 13 L 3.8289 8.5118 126.9446 58.6590 41.8326 178.4688 14 Y 4.4472 7.8095 115.4632 60.4656 38.0981 177.6630 15 Q 4.1455 8.1254 117.5955 58.4594 29.1106 177.8826 16 L 4.5777 8.4169 119.9887 56.6087 41.7905 178.3376 17 E 4.1890 8.0899 117.3114 58.1887 29.6910 177.2875 18 N 4.5477 8.0181 115.7694 54.5235 38.7291 175.5399 19 Y 4.6176 8.0860 116.4222 57.9848 37.9228 174.3360 20 C 4.5507 7.3091 116.2978 57.4559 30.6679 173.8675 21 N 4.4204 8.9443 119.0900 54.0817 38.1128 174.8231 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 8.15 4.23 1.96 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.84 0.00 0.00 3 V 8.54 3.54 2.04 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 0.98 0.00 0.00 0.84 0.00 0.00 4 E 8.26 3.98 0.00 2.04 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 2.41 2.34 0.00 5 Q 7.52 3.99 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 6 C 7.36 4.71 0.00 2.96 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 9.44 4.22 0.00 2.90 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 8 T 8.07 4.00 4.51 0.00 0.00 0.00 0.00 0.00 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 7.08 4.92 0.00 4.09 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 10 I 8.00 4.18 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 1.30 0.55 0.92 0.00 0.00 11 C 8.27 4.96 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.91 0.00 3.93 3.82 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 13 L 8.51 3.83 0.00 1.53 1.51 0.78 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.81 4.45 0.00 3.09 2.91 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 15 Q 8.13 4.15 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.04 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 16 L 8.42 4.58 0.00 2.01 1.77 1.07 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.09 4.19 0.00 2.25 2.10 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 2.32 2.61 0.00 18 N 8.02 4.55 0.00 2.64 2.53 0.00 0.00 7.13 7.48 0.00 0.00 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 8.09 4.62 0.00 3.22 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.31 4.55 0.00 3.01 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 21 N 8.94 4.42 0.00 2.72 2.79 0.00 0.00 6.83 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