NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4468 8.1776 115.4065 58.2881 64.6150 175.5533 2 E 3.7564 7.9619 118.8329 57.8192 28.7162 177.7775 3 A 3.6421 8.2882 122.4580 54.8233 19.8346 180.7999 4 V 3.6675 7.5607 114.6944 65.6753 31.6480 178.1126 5 K 3.8859 7.6695 118.1332 59.5306 32.0800 179.2609 6 F 4.3456 7.3835 111.9783 59.9542 37.4204 177.4439 7 L 4.0625 6.7058 118.5075 57.8243 41.4873 179.2656 8 T 4.0235 7.7571 108.7029 64.5718 68.7045 176.2936 9 N 4.7134 7.9720 118.3131 54.9741 39.0021 175.5226 10 E 4.4943 7.8189 125.0591 55.0951 29.8339 176.7200 11 T 4.3810 8.0871 118.1448 60.3815 68.0149 175.0463 12 R 4.3512 7.7802 126.7609 58.6847 31.5211 177.5884 13 E 4.1179 8.2999 117.3715 59.9242 29.2056 179.5478 14 R 4.0526 8.0514 116.7233 58.7078 29.2289 178.5287 15 E 4.0085 8.1453 118.8855 59.2879 29.4240 179.4298 16 V 3.6428 7.5529 111.3547 64.4204 31.6985 178.4613 17 F 4.2343 7.9450 115.8428 59.8196 38.7519 176.8605 18 D 4.7080 7.8235 117.3446 56.4324 40.5445 176.7552 19 R 4.2607 7.4904 119.7533 54.6643 27.5677 176.8166 20 L 4.0497 8.1963 124.1136 58.2109 41.2640 180.4305 21 G 3.2709 8.0270 108.1475 48.5341 0.0000 173.5047 22 M 4.3334 6.6556 119.3268 52.1582 30.7068 173.9748 23 I 4.1249 6.6115 125.4887 60.8022 46.2248 175.8348 24 Y 4.3136 7.0230 119.3330 60.2653 37.8130 178.2445 25 T 4.0288 7.5052 117.5439 66.3423 67.9834 176.7376 26 V 3.6671 7.7880 119.8261 65.9943 31.4651 178.0227 27 G 3.7439 7.7315 103.6074 48.1477 0.0000 174.4503 28 Y 4.2178 7.9267 120.9759 60.3378 38.8035 177.8339 29 S 4.3942 7.8650 112.6545 60.5059 63.2782 175.1205 30 V 4.0371 7.0953 116.1852 60.2796 30.0790 176.0226 31 C 4.2877 7.9321 120.8139 59.7912 29.0979 174.2756 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 S 8.18 4.45 0.00 4.01 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 2 E 7.96 3.76 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 3 A 8.29 3.64 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.56 3.67 1.98 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 0.94 0.00 0.00 0.85 0.00 0.00 5 K 7.67 3.89 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 6 F 7.38 4.35 0.00 3.21 3.28 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 0.00 0.00 0.00 0.00 7 L 6.71 4.06 0.00 1.69 1.72 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.76 4.02 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 1.21 0.00 0.00 9 N 7.97 4.71 0.00 2.95 2.96 0.00 0.00 6.92 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.82 4.49 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 11 T 8.09 4.38 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 1.31 0.00 0.00 12 R 7.78 4.35 0.00 1.88 2.02 0.00 3.33 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 13 E 8.30 4.12 0.00 2.37 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 0.00 2.43 2.53 0.00 14 R 8.05 4.05 0.00 2.14 2.27 0.00 3.03 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 15 E 8.15 4.01 0.00 2.18 2.04 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 2.41 2.52 0.00 16 V 7.55 3.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 17 F 7.94 4.23 0.00 3.14 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 18 D 7.82 4.71 0.00 2.83 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 19 R 7.49 4.26 0.00 1.92 1.78 0.00 3.24 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 20 L 8.20 4.05 0.00 1.92 1.96 1.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.03 3.27 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 0.00 22 M 6.66 4.33 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 23 I 6.61 4.12 1.59 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.22 0.60 0.00 0.00 24 Y 7.02 4.31 0.00 3.29 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.51 4.03 4.29 0.00 0.00 0.00 0.00 0.00 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 26 V 7.79 3.67 2.16 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 1.12 0.00 0.00 0.88 0.00 0.00 27 G 7.73 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.93 4.22 0.00 3.10 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 29 S 7.86 4.39 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.10 4.04 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 0.81 0.00 0.00 1.01 0.00 0.00 31 C 7.93 4.29 0.00 2.70 2.64 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