NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4670 8.1627 120.3276 55.1344 32.9778 178.1195 2 K 3.7631 8.7159 125.1844 57.2127 32.4918 168.9949 3 V 3.2519 7.9069 120.9301 62.9807 31.8027 171.4073 4 R 4.2002 8.4738 125.7917 56.8916 30.8116 176.5219 5 A 4.3465 7.7311 118.7294 52.7211 18.4407 176.9423 6 S 4.6899 8.2251 107.0240 56.8034 63.9935 175.1687 7 V 4.4280 7.5344 129.0534 62.3548 31.6738 173.2083 8 K 4.4471 8.1286 118.4595 55.5259 33.7354 175.7275 9 K 4.1707 8.4550 119.1596 57.4939 32.6691 177.1109 10 L 3.4949 8.1427 123.0298 54.9294 42.5957 174.8674 11 C 3.8910 8.4290 120.9189 58.8747 31.4659 170.6636 12 R 4.4640 8.3008 113.1081 58.4420 31.8084 177.7275 13 N 4.8652 8.0135 113.1846 53.6637 38.4992 173.8994 14 C 5.5542 7.5102 115.2411 57.3967 30.0092 174.1973 15 K 4.4255 8.2814 123.3593 55.4893 33.1743 177.0119 16 I 3.9383 8.1327 121.0155 63.6514 37.5830 174.0137 17 V 3.4574 7.7355 125.1397 62.1805 31.8328 171.6598 18 K 4.6591 8.1989 122.0910 56.2868 33.3372 177.9899 19 R 4.0152 8.1454 117.4348 59.4360 29.0684 176.7509 20 D 4.4440 7.6771 113.5568 53.2821 42.9519 175.1156 21 G 3.6598 9.1862 110.9463 46.5959 0.0000 173.7872 22 V 3.4890 7.8689 114.6370 60.3991 29.6311 175.3277 23 I 3.6146 8.5432 119.7864 62.4152 36.9419 176.4939 24 R 4.2572 7.8213 119.3469 56.0482 30.3374 176.3817 25 V 4.5599 8.0178 116.4976 63.2103 33.6191 173.7383 26 I 3.7799 7.8576 112.5784 61.3982 37.8255 174.2386 27 C 5.3368 8.8216 119.6413 57.2743 32.1897 175.0959 28 S 4.1011 9.1683 117.5746 60.7812 63.2662 175.4976 29 A 4.0322 7.6888 122.7763 53.2663 17.2416 177.5609 30 E 4.7765 8.6931 112.8116 52.2581 33.2440 176.1566 31 P 4.0261 0.0000 0.0000 64.9258 31.5774 177.3400 32 K 3.8561 7.0057 119.8698 59.5181 32.2025 176.6061 33 H 4.7103 7.9980 122.4375 54.0822 28.0135 173.6824 34 K 4.2090 8.3733 128.0377 57.1514 34.7025 175.7666 35 Q 3.5419 7.7937 115.3647 56.7756 25.6891 173.5676 36 R 4.3157 8.8041 117.4651 54.6973 30.1018 176.4655 37 Q 4.3839 8.3078 126.2118 54.9702 26.9783 176.6226 38 G 3.7091 7.6561 113.5798 46.6131 0.0000 170.1144 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 M 8.16 4.47 0.00 2.10 1.77 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 2 K 8.72 3.76 0.00 1.84 1.80 0.00 1.89 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.43 7.81 3 V 7.91 3.25 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 0.81 0.00 0.00 0.99 0.00 0.00 4 R 8.47 4.20 0.00 1.80 1.92 0.00 3.31 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 5 A 7.73 4.35 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.69 0.00 3.81 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 7 V 7.53 4.43 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 0.82 0.00 0.00 0.94 0.00 0.00 8 K 8.13 4.45 0.00 1.72 1.58 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.43 7.81 9 K 8.46 4.17 0.00 1.72 1.79 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.43 7.81 10 L 8.14 3.49 0.00 1.75 1.66 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.43 3.89 0.00 3.16 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 12 R 8.30 4.46 0.00 1.91 1.89 0.00 3.23 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 13 N 8.01 4.87 0.00 2.78 2.81 0.00 0.00 6.86 7.66 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 14 C 7.51 5.55 0.00 3.04 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 4.43 0.00 1.71 1.72 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.50 7.81 16 I 8.13 3.94 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.34 0.91 0.00 0.00 17 V 7.74 3.46 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 0.77 0.00 0.00 0.92 0.00 0.00 18 K 8.20 4.66 0.00 1.96 1.92 0.00 1.46 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.44 7.81 19 R 8.15 4.02 0.00 1.93 2.13 0.00 3.07 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 20 D 7.68 4.44 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.19 3.66 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 0.00 0.00 0.00 22 V 7.87 3.49 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 0.80 0.00 0.00 0.93 0.00 0.00 23 I 8.54 3.61 1.96 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 0.97 0.00 0.00 24 R 7.82 4.26 0.00 2.08 2.08 0.00 3.13 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 25 V 8.02 4.56 2.31 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 0.79 0.00 0.00 0.97 0.00 0.00 26 I 7.86 3.78 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.90 0.00 0.00 27 C 8.82 5.34 0.00 2.97 3.04 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 0.00 0.00 0.00 0.00 28 S 9.17 4.10 0.00 4.00 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 29 A 7.69 4.03 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.69 4.78 0.00 2.10 2.01 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 2.26 2.22 0.00 31 P 0.00 4.03 0.00 2.21 2.23 0.00 3.82 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 32 K 7.01 3.86 0.00 1.59 1.83 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.46 7.81 33 H 8.00 4.71 0.00 3.27 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.37 4.21 0.00 2.14 1.80 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.36 7.81 35 Q 7.79 3.54 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.69 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 36 R 8.80 4.32 0.00 1.71 1.87 0.00 3.26 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 37 Q 8.31 4.38 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 38 G 7.66 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 0.00 0.00 0.00