NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4278 8.1627 120.3240 54.9214 33.7619 175.8771 2 I 3.5117 8.0921 118.5959 62.6570 38.0059 176.1367 3 L 4.1372 8.1769 120.1950 57.9893 40.5613 178.4972 4 G 3.4750 7.3375 107.2881 47.6971 0.0000 174.9010 5 A 4.2025 7.6630 121.7084 52.5563 19.2796 179.3932 6 V 3.4909 7.4163 117.7573 65.6098 31.4904 177.3770 7 F 4.7910 7.3424 112.1254 58.0789 38.3966 177.2316 8 Y 4.6520 6.4911 116.4477 60.3471 37.8318 177.0447 9 I 4.0128 7.3387 118.0687 61.5534 39.5676 177.6862 10 V 3.7662 7.6020 120.0041 64.6690 30.9479 178.2956 11 F 4.3451 8.0268 115.1782 59.5943 38.0736 177.9057 12 I 3.5671 6.4296 119.4659 63.7845 36.7413 178.0565 13 A 3.9726 8.4017 122.3985 54.7205 18.0664 179.3836 14 L 3.9509 7.6845 118.7875 58.5713 42.2140 178.7329 15 F 4.7412 8.6727 117.9935 61.0227 38.9313 177.1441 16 F 4.0405 8.7007 119.7302 61.6671 39.2365 177.1856 17 G 4.0587 8.5410 105.4547 48.4103 0.0000 175.2500 18 I 3.8970 8.4069 116.2411 63.2230 37.6632 177.7609 19 A 4.1215 8.5248 124.1245 54.2547 17.9905 178.4582 20 V 3.4799 8.7788 117.9164 63.8961 31.4721 177.6121 21 G 3.9410 6.7380 109.9942 48.1664 0.0000 174.9251 22 I 3.9537 8.3099 122.0349 64.2002 37.0298 178.0017 23 I 3.7006 6.9448 117.6561 64.3831 38.0006 177.6776 24 F 4.6191 7.8809 115.5771 59.1998 39.1932 176.2016 25 A 4.0651 8.5433 123.3619 54.4168 17.6446 178.4648 26 I 4.0169 8.1921 115.1860 61.3677 37.8170 177.3155 27 K 4.5136 7.9172 119.3317 56.5581 30.2178 177.4098 28 S 4.6175 7.7999 111.5566 58.7230 66.5567 175.9055 29 I 3.9025 7.8174 119.6953 63.4238 37.1070 177.2086 30 K 4.5211 7.3779 116.6891 57.0246 32.8326 177.0562 31 L 3.9575 7.2642 121.6747 57.5671 42.6361 176.8067 32 I 3.9900 7.4584 124.9896 61.5558 37.1828 176.0073 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 4.43 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 2 I 8.09 3.51 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.20 0.90 0.00 0.00 3 L 8.18 4.14 0.00 2.01 1.95 1.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.34 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.66 4.20 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 V 7.42 3.49 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 7 F 7.34 4.79 0.00 3.42 3.34 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 8 Y 6.49 4.65 0.00 2.82 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.34 4.01 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.97 0.90 0.00 0.00 10 V 7.60 3.77 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 11 F 8.03 4.35 0.00 3.12 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.43 3.57 1.39 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.40 0.88 0.00 0.00 13 A 8.40 3.97 1.32 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 14 L 7.68 3.95 0.00 1.90 1.94 1.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.67 4.74 0.00 3.40 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.70 4.04 0.00 3.39 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 17 G 8.54 4.06 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 0.00 0.00 0.00 18 I 8.41 3.90 1.94 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.09 0.98 0.00 0.00 19 A 8.52 4.12 1.18 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 0.00 0.00 0.00 0.00 0.00 20 V 8.78 3.48 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 0.90 0.00 0.00 0.73 0.00 0.00 21 G 6.74 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 3.95 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.68 0.93 0.00 0.00 23 I 6.94 3.70 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.81 0.83 0.00 0.00 24 F 7.88 4.62 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 25 A 8.54 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.19 4.02 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.92 0.00 0.00 27 K 7.92 4.51 0.00 2.00 1.79 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.55 7.81 28 S 7.80 4.62 0.00 3.77 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 3.90 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.92 0.00 0.00 30 K 7.38 4.52 0.00 1.85 1.81 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.38 7.81 31 L 7.26 3.96 0.00 1.67 1.56 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.46 3.99 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 0.90 0.00 0.00