NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3957 8.1627 118.1889 55.1753 33.3985 177.2019 2 E 3.5813 8.2229 119.4948 58.6834 29.2757 176.1203 3 T 4.1705 7.5196 116.7366 64.1461 69.0369 176.2306 4 I 3.6023 7.4840 116.8933 64.6592 38.2790 177.9829 5 T 3.4742 7.5964 116.6947 66.1604 68.0127 176.0492 6 Y 4.4420 9.2456 117.4280 59.8242 38.2924 177.6367 7 V 3.8976 7.6356 119.2220 65.5318 31.7978 177.1712 8 F 4.3064 9.1309 121.6040 61.7785 39.0602 177.0157 9 I 3.5244 7.3958 116.3093 62.7064 37.0857 177.6094 10 F 4.1142 8.4199 122.8133 60.8167 39.6506 177.1470 11 A 4.0722 8.2152 119.7921 55.5231 17.9865 179.2956 12 C 3.8899 7.5720 115.2295 62.8157 26.7025 175.9372 13 I 3.5876 7.3050 120.2276 62.9017 36.3906 177.5659 14 I 3.6659 6.8751 119.6318 62.1856 38.1838 177.4986 15 A 3.9631 7.6415 121.9146 54.8639 17.9203 179.4227 16 L 3.9725 8.1038 118.4905 58.7928 42.3754 178.1175 17 F 4.5825 7.8771 116.7284 59.0212 38.5751 177.3822 18 F 3.6782 8.5388 120.1914 61.8235 39.7991 178.4028 19 F 3.6149 8.9332 116.9778 59.9580 38.4191 177.6084 20 A 4.1631 8.4756 120.2869 55.0180 18.6141 179.3242 21 I 4.0027 7.7406 116.6591 63.4792 37.5341 177.4058 22 F 4.8943 8.6210 116.3985 57.1547 40.2230 175.6387 23 F 4.6998 7.9722 117.5513 56.7427 39.6072 174.6022 24 R 4.3908 7.8415 119.9113 54.8627 31.6245 174.4197 25 E 4.2577 8.3921 121.4360 54.4467 30.2940 174.3586 26 P 4.3188 0.0000 0.0000 62.6120 31.9331 175.0377 27 P 4.6834 0.0000 0.0000 61.0532 30.2051 174.1719 28 R 4.6134 7.7856 124.2835 55.4652 32.5365 176.2093 29 I 4.2419 8.0757 120.7158 61.8217 37.1657 177.8499 30 T 3.9831 7.8063 118.0744 65.6162 68.5062 174.2863 31 K 4.1621 7.6310 125.6311 56.5914 32.0404 176.6523 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 4.40 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 2 E 8.22 3.58 0.00 2.05 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 0.00 2.30 2.45 0.00 3 T 7.52 4.17 4.26 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 1.26 0.00 0.00 4 I 7.48 3.60 1.84 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.81 0.88 0.00 0.00 5 T 7.60 3.47 3.87 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 1.12 0.00 0.00 6 Y 9.25 4.44 0.00 3.00 2.99 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 0.00 0.00 0.00 7 V 7.64 3.90 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 1.14 0.00 0.00 0.93 0.00 0.00 8 F 9.13 4.31 0.00 3.01 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 3.52 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.91 0.85 0.00 0.00 10 F 8.42 4.11 0.00 3.33 3.17 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 0.00 0.00 0.00 0.00 11 A 8.22 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.57 3.89 0.00 2.59 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.30 3.59 1.34 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.39 0.00 0.00 14 I 6.88 3.67 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.93 0.00 0.00 15 A 7.64 3.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.10 3.97 0.00 1.54 1.54 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.88 4.58 0.00 3.23 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.54 3.68 0.00 2.96 3.37 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 0.00 0.00 0.00 0.00 19 F 8.93 3.61 0.00 3.32 3.07 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 20 A 8.48 4.16 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.74 4.00 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.75 1.10 0.00 0.00 22 F 8.62 4.89 0.00 2.45 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 F 7.97 4.70 0.00 2.80 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.84 4.39 0.00 2.13 1.85 0.00 3.25 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 25 E 8.39 4.26 0.00 1.98 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 2.28 2.33 0.00 26 P 0.00 4.32 0.00 2.06 1.95 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 27 P 0.00 4.68 0.00 2.15 2.06 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.94 0.00 28 R 7.79 4.61 0.00 1.79 1.86 0.00 3.18 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 29 I 8.08 4.24 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 1.40 1.42 0.90 0.00 0.00 30 T 7.81 3.98 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 1.20 0.00 0.00 31 K 7.63 4.16 0.00 1.70 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.37 7.81