NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9764 8.2127 109.7422 45.4534 0.0000 173.7083 2 I 3.3330 8.0061 118.7912 62.2383 37.6078 173.5656 3 V 3.4593 8.3419 120.3238 65.8903 30.4104 177.2323 4 E 3.6783 7.9674 117.8173 59.5621 29.1751 179.2868 5 Q 4.3921 8.1869 117.0123 58.1199 28.9596 176.8792 6 C 5.3353 8.3045 115.4246 55.8891 41.8641 174.1917 7 C 4.3528 8.1988 117.7211 60.7335 29.3984 174.8722 8 H 4.6166 7.4960 115.5948 57.7653 28.8679 175.4279 9 S 4.7505 7.5362 113.4171 56.5503 66.9119 173.2715 10 I 4.1680 8.1579 122.8426 61.3920 37.6149 176.4042 11 C 5.2251 8.4309 120.5733 54.7198 44.1059 175.0846 12 S 4.5016 9.8757 121.0887 57.5906 64.9940 175.0130 13 L 3.8450 8.3277 122.5174 58.4965 41.3599 178.3909 14 Y 4.0911 7.6398 115.5453 61.0861 38.3058 177.8613 15 Q 4.2200 8.1152 118.6394 58.8581 28.7585 178.6172 16 L 4.2762 8.2898 120.2733 57.6657 41.6577 178.9925 17 E 3.9527 8.2998 119.1901 58.9951 29.2531 178.4126 18 N 4.3497 7.8035 115.0697 55.4522 38.4348 175.6114 19 Y 4.5069 7.9103 117.1732 57.0996 38.3188 175.2885 20 C 4.4981 7.2879 118.2237 58.8864 29.2778 173.5181 21 N 4.5353 8.5600 117.6123 53.8195 38.1135 175.3467 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 3.98 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 0.00 0.00 0.00 2 I 8.01 3.33 1.06 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.73 0.68 0.00 0.00 3 V 8.34 3.46 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 0.97 0.00 0.00 0.86 0.00 0.00 4 E 7.97 3.68 0.00 2.27 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 2.43 2.52 0.00 5 Q 8.19 4.39 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.58 2.70 0.00 6 C 8.30 5.34 0.00 2.91 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 8.20 4.35 0.00 3.01 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 H 7.50 4.62 0.00 3.42 3.33 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.54 4.75 0.00 3.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.17 1.89 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 0.48 0.93 0.00 0.00 11 C 8.43 5.23 0.00 2.94 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.88 4.50 0.00 4.17 4.12 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 0.00 0.00 0.00 13 L 8.33 3.84 0.00 1.56 1.34 0.74 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.64 4.09 0.00 3.04 3.02 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 0.00 0.00 0.00 15 Q 8.12 4.22 0.00 2.41 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.29 4.28 0.00 1.90 1.77 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.30 3.95 0.00 2.16 2.18 0.00 0.00 0.00 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 2.36 0.00 18 N 7.80 4.35 0.00 2.54 2.49 0.00 0.00 6.93 6.81 0.00 0.00 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 7.91 4.51 0.00 3.14 2.97 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 0.00 0.00 0.00 20 C 7.29 4.50 0.00 3.06 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 8.56 4.54 0.00 2.72 2.74 0.00 0.00 6.79 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