NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.3193 8.2127 109.7665 46.4864 0.0000 175.1528 2 I 3.2727 7.4562 121.0505 62.9416 38.3830 171.3722 3 V 3.5421 8.4131 120.0002 65.8131 31.3001 177.2694 4 E 3.8946 8.0434 117.8301 59.5385 28.6011 178.9000 5 Q 4.0559 8.2948 119.4793 58.7878 29.0019 176.7598 6 C 5.0704 8.2857 115.4539 56.0326 41.6771 174.0964 7 C 4.4175 7.9739 117.1104 59.7191 28.9412 174.5031 8 T 4.3048 7.3885 106.5634 62.6010 69.2397 175.2042 9 S 4.7915 7.2641 113.4726 55.8539 66.2013 173.2520 10 I 4.1670 8.1512 123.5087 61.1085 37.1658 176.9590 11 C 4.7215 8.6572 124.0254 56.4164 39.0590 174.4327 12 S 4.4898 9.1186 119.7431 58.0091 64.7977 175.5802 13 L 4.0611 8.4204 121.4912 57.8415 40.7338 179.1132 14 Y 3.9106 8.0421 119.1461 60.8926 38.6193 178.0498 15 Q 4.1613 8.2229 117.5667 59.0592 29.0866 178.5682 16 L 4.3767 8.1243 120.1229 57.7727 41.7479 179.1081 17 E 3.9003 8.2876 119.2185 58.9479 29.2215 178.1133 18 N 4.0177 7.3461 115.6676 56.5721 38.8844 175.4592 19 Y 4.3082 7.7110 115.5091 57.9253 38.6230 175.7417 20 C 4.3928 7.0804 117.7683 59.3039 28.9689 173.4895 21 N 4.5100 8.5965 118.1053 53.8133 38.0829 175.2309 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 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.46 3.27 1.04 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.00 0.69 0.00 0.00 3 V 8.41 3.54 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.04 3.89 0.00 2.22 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 2.43 0.00 5 Q 8.29 4.06 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 6 C 8.29 5.07 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.42 0.00 3.16 2.93 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 8 T 7.39 4.30 4.25 0.00 0.00 0.00 0.00 0.00 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 7.26 4.79 0.00 3.88 3.76 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 10 I 8.15 4.17 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 1.42 0.47 0.92 0.00 0.00 11 C 8.66 4.72 0.00 3.00 3.09 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 0.00 0.00 0.00 12 S 9.12 4.49 0.00 4.11 4.07 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 13 L 8.42 4.06 0.00 1.77 1.80 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.04 3.91 0.00 3.12 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.16 0.00 2.40 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 16 L 8.12 4.38 0.00 1.92 1.78 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.29 3.90 0.00 2.05 1.84 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 2.13 2.23 0.00 18 N 7.35 4.02 0.00 2.48 2.44 0.00 0.00 7.20 7.42 0.00 0.00 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 7.71 4.31 0.00 3.17 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 20 C 7.08 4.39 0.00 2.97 2.86 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 21 N 8.60 4.51 0.00 2.71 2.73 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