NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4613 8.2893 118.1944 54.5373 32.5825 175.0922 2 V 3.5320 8.3123 120.9489 61.8755 32.1249 173.4686 3 E 4.4833 8.2499 123.5204 53.3742 29.4364 175.4588 4 P 4.1212 0.0000 0.0000 66.1815 31.1981 177.7299 5 L 3.9303 7.9143 119.9016 57.2649 41.9496 178.6919 6 L 3.9162 7.8813 119.3314 58.5721 42.0215 178.3214 7 C 4.1302 8.6699 116.9780 62.8377 28.0714 176.3984 8 G 3.6735 8.7100 107.8241 48.0732 0.0000 175.5771 9 I 3.7238 7.9908 123.2127 64.2865 37.0508 178.2808 10 V 3.6008 8.2383 119.4197 65.8372 31.1826 177.8294 11 L 4.0813 8.3883 120.3076 57.3855 41.7147 179.7296 12 G 3.7507 7.9829 106.0603 47.5480 0.0000 176.0054 13 L 4.0072 8.1452 122.3970 56.9730 41.6604 179.4644 14 V 3.5956 8.0125 118.5878 65.7917 31.3634 176.3643 15 P 4.2719 0.0000 0.0000 65.9803 31.3732 178.5529 16 V 3.7577 7.5468 119.4410 64.6093 30.8870 178.5999 17 T 3.8615 8.0452 116.1909 66.5817 68.4665 176.6420 18 I 3.7039 7.8405 121.4305 64.6724 37.0980 177.9385 19 A 4.1735 8.8096 121.6631 55.2048 18.1983 179.5026 20 G 3.8850 8.1922 103.4667 48.2762 0.0000 175.4367 21 L 3.9995 8.2190 121.6709 57.6755 41.6142 179.8148 22 F 4.1096 8.2599 117.5611 60.0904 38.6892 178.1183 23 V 3.7251 8.1548 118.6636 66.3277 31.4615 178.2407 24 T 3.8966 8.4397 109.8333 64.7942 68.3167 176.1813 25 A 4.0217 7.9023 122.8065 54.9200 18.6483 178.7803 26 Y 4.3169 8.2658 118.0439 60.9037 39.0878 177.7479 27 L 3.8630 8.2942 120.3176 58.3479 41.5850 179.8287 28 Q 4.0122 7.9323 116.1691 58.9666 28.6962 177.8155 29 Y 4.3071 7.8007 119.7607 59.6536 38.7490 176.0302 30 L 4.0725 7.2950 123.4516 54.6348 42.0451 175.9686 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 4.46 0.00 2.14 2.14 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 2.46 2.54 0.00 2 V 8.31 3.53 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 0.71 0.00 0.00 0.93 0.00 0.00 3 E 8.25 4.48 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 4 P 0.00 4.12 0.00 2.25 2.32 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 5 L 7.91 3.93 0.00 1.77 1.72 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.88 3.92 0.00 1.79 1.85 0.92 0.96 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 7 C 8.67 4.13 0.00 3.12 2.98 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 8 G 8.71 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 3.72 2.04 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 1.41 0.76 0.91 0.00 0.00 10 V 8.24 3.60 2.23 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 1.11 0.00 0.00 0.96 0.00 0.00 11 L 8.39 4.08 0.00 1.73 1.74 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.98 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 0.00 0.00 0.00 13 L 8.15 4.01 0.00 1.77 1.74 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.01 3.60 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 15 P 0.00 4.27 0.00 2.31 2.30 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.12 0.00 16 V 7.55 3.76 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 0.91 0.00 0.00 0.94 0.00 0.00 17 T 8.05 3.86 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 18 I 7.84 3.70 2.08 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 1.50 0.87 1.16 0.00 0.00 19 A 8.81 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.22 4.00 0.00 1.80 1.54 0.84 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.26 4.11 0.00 3.35 3.06 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 23 V 8.15 3.73 2.35 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 1.22 0.00 0.00 1.00 0.00 0.00 24 T 8.44 3.90 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 1.28 0.00 0.00 25 A 7.90 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 4.32 0.00 3.26 3.26 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 27 L 8.29 3.86 0.00 1.92 1.73 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.93 4.01 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 29 Y 7.80 4.31 0.00 3.00 3.01 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 0.00 0.00 0.00 30 L 7.30 4.07 0.00 1.46 1.36 0.63 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00