NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4486 8.2893 120.3510 55.2359 33.6504 175.4384 2 E 4.7342 7.8640 110.8207 54.3113 31.2697 175.5943 3 I 3.6550 8.8173 122.6391 65.4166 38.4295 178.9268 4 D 4.0881 7.8740 119.1128 57.3462 40.6174 178.9175 5 V 3.9755 8.0145 118.8468 65.7378 31.8266 179.0137 6 L 3.7808 7.2307 119.3363 58.2896 43.1337 178.2046 7 G 3.5390 8.8114 102.3199 48.2776 0.0000 174.7906 8 W 4.2626 7.9696 118.4284 59.4430 29.7378 178.8269 9 V 3.5858 8.2318 117.8630 66.2923 30.9689 177.9702 10 A 3.9071 8.5610 120.6015 54.8876 18.2261 179.0960 11 L 3.9100 8.3681 119.4686 58.5748 42.1304 178.6485 12 L 4.0409 8.2349 117.9120 58.2741 41.6302 179.3631 13 V 3.6292 8.7430 117.7244 66.5963 31.3623 178.4342 14 V 3.7570 8.2083 111.7035 64.7553 31.3358 178.1183 15 F 4.0647 7.9508 118.1376 62.0114 39.3917 177.3499 16 T 3.9748 8.3406 115.0161 66.3880 68.5025 176.5325 17 W 4.6509 8.8169 129.3925 60.0807 30.4539 176.8008 18 S 4.3653 8.2960 115.3348 59.6826 61.7928 176.8540 19 I 3.4039 6.9299 121.8499 64.7269 37.6775 176.9481 20 A 3.5626 8.8169 118.5076 56.0584 17.7692 178.7529 21 M 3.6726 6.9737 118.3102 57.9886 33.1999 178.6799 22 V 3.6376 9.5615 117.6044 66.2675 31.6227 177.9142 23 V 3.5607 9.1608 118.6913 65.8786 31.2062 178.2340 24 W 4.7246 8.1853 128.2230 60.4389 31.0298 178.0298 25 G 3.5990 7.7624 105.1340 46.5242 0.0000 174.1043 26 R 4.5601 7.9483 116.8794 56.0243 30.5899 174.9497 27 N 4.1239 8.4153 111.4178 55.7659 35.7764 172.1435 28 G 4.2297 7.3721 105.2095 43.1125 0.0000 171.9818 29 L 4.1565 8.3112 117.8014 55.0091 41.6791 177.3837 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 8.29 4.45 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 2 E 7.86 4.73 0.00 2.27 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 0.00 2.18 2.43 0.00 3 I 8.82 3.65 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 1.63 1.18 0.91 0.00 0.00 4 D 7.87 4.09 0.00 2.78 2.81 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 0.00 0.00 0.00 0.00 5 V 8.01 3.98 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.00 0.00 0.00 6 L 7.23 3.78 0.00 1.78 1.57 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.81 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.97 4.26 0.00 3.61 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.23 3.59 2.33 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 1.04 0.00 0.00 1.03 0.00 0.00 10 A 8.56 3.91 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.37 3.91 0.00 1.69 2.02 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.23 4.04 0.00 1.93 1.82 1.09 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.74 3.63 2.11 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 0.89 0.00 0.00 1.04 0.00 0.00 14 V 8.21 3.76 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 1.01 0.00 0.00 1.16 0.00 0.00 15 F 7.95 4.06 0.00 3.19 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.34 3.97 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 17 W 8.82 4.65 0.00 3.44 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.37 0.00 4.12 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.93 3.40 1.85 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.82 0.00 0.00 20 A 8.82 3.56 1.11 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 0.00 0.00 21 M 6.97 3.67 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 22 V 9.56 3.64 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 0.89 0.00 0.00 0.86 0.00 0.00 23 V 9.16 3.56 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 1.06 0.00 0.00 0.96 0.00 0.00 24 W 8.19 4.72 0.00 3.20 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 25 G 7.76 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 4.56 0.00 1.82 1.89 0.00 3.17 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 27 N 8.42 4.12 0.00 2.86 2.90 0.00 0.00 6.87 7.65 0.00 0.00 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 G 7.37 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.16 0.00 1.63 1.59 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00