NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2762 8.1749 110.9397 61.5187 70.0911 172.7427 3 S 4.6939 8.0394 117.9414 56.5237 66.1143 172.1164 4 Y 4.6434 9.2042 120.4611 56.6820 42.1817 174.8220 5 T 4.8218 8.4351 120.0661 61.8317 72.1648 173.1163 6 L 4.6675 8.1346 123.9612 53.9335 45.1882 174.6915 7 N 5.1920 8.4270 121.6952 51.8862 42.2653 173.4201 8 E 4.6469 8.2411 118.2317 55.3634 33.4914 175.1285 9 V 3.9531 7.9762 121.8163 62.1269 31.6951 176.1569 10 V 4.5205 8.1954 120.6092 58.9552 34.3586 175.1130 11 P 4.6371 0.0000 0.0000 61.4470 29.4819 176.5173 12 L 4.0738 8.3009 127.4520 58.9652 41.7735 178.5189 13 K 4.0054 8.0839 117.1595 59.5830 31.9374 177.8907 14 E 3.8561 7.9247 118.2212 58.0282 29.3402 177.4080 15 F 4.8407 7.8379 116.4428 57.5773 40.8417 176.1727 16 V 4.4889 7.4118 111.7050 58.5152 33.9158 173.4140 17 P 4.5872 0.0000 0.0000 62.1310 32.0715 176.7192 18 E 3.9927 8.8805 118.6889 58.6738 29.4245 177.9312 19 W 4.6908 8.1045 117.1463 54.8372 31.1360 175.3214 20 V 4.6639 8.3226 114.8826 59.6808 35.1538 174.6730 21 R 4.7253 8.3852 119.3293 54.3584 32.5037 175.7747 22 I 4.5281 7.5211 113.6644 59.2656 40.3926 175.7367 23 G 3.7515 7.3739 107.7633 45.7810 0.0000 172.3809 24 F 4.9081 8.3703 116.8396 55.7040 42.5319 174.1061 25 S 4.7021 8.2769 115.5994 57.0020 65.6116 172.8314 26 A 4.4989 7.9749 124.5773 51.6123 21.4644 175.5953 27 T 4.7405 7.9793 109.6314 60.2779 72.0789 172.6711 28 T 4.9615 8.2861 110.9622 59.9869 73.2430 175.7081 29 G 4.2148 8.6129 111.5758 45.5899 0.0000 175.7385 30 A 4.1441 9.2527 128.3452 53.7490 18.6274 178.0427 31 E 4.7387 7.9545 114.5879 54.8842 32.1951 174.3638 32 F 5.1832 7.2755 113.7181 56.3172 40.7445 172.8538 33 A 4.4151 8.0301 120.9897 51.3133 21.3603 175.9397 34 A 4.2915 8.4203 122.9410 52.1083 19.3042 177.1691 35 H 4.8606 8.5747 117.7608 54.0149 31.8529 173.1000 36 E 4.6594 8.5238 122.4977 54.4672 33.4832 174.7177 37 V 4.1919 8.0723 120.6659 61.1220 33.6645 175.3744 38 L 4.4444 8.3398 126.1100 56.2006 42.7065 176.4916 39 S 4.7592 7.6113 109.7220 57.4905 65.3086 173.6549 40 W 5.4860 8.5853 130.0458 56.4826 33.4640 173.0986 41 Y 4.8025 9.0107 125.7522 55.6691 41.0591 174.1918 42 F 4.3785 7.3605 126.9800 56.4970 42.6773 173.0603 43 H 4.4289 6.9748 125.1523 54.2937 32.5991 172.4384 44 S 4.4913 7.8113 119.8589 56.3936 66.1428 172.9425 45 E 4.5634 8.1632 117.8042 54.7988 32.0969 174.2184 46 L 4.5722 8.2346 123.2901 52.8402 44.7640 175.7234 47 A 4.2177 8.6144 128.9464 51.8727 19.3144 177.3155 48 G 3.7314 8.4798 108.9295 45.6501 0.0000 173.3505 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 2 T 8.17 4.28 4.09 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 1.21 0.00 0.00 3 S 8.04 4.69 0.00 3.83 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 4 Y 9.20 4.64 0.00 2.89 2.84 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 0.00 0.00 0.00 5 T 8.44 4.82 4.27 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 1.24 0.00 0.00 6 L 8.13 4.67 0.00 1.57 1.51 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.43 5.19 0.00 2.69 2.67 0.00 0.00 6.83 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.24 4.65 0.00 1.92 1.81 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 2.23 2.23 0.00 9 V 7.98 3.95 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 0.80 0.00 0.00 0.95 0.00 0.00 10 V 8.20 4.52 2.15 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 0.85 0.00 0.00 1.05 0.00 0.00 11 P 0.00 4.64 0.00 2.09 2.20 0.00 4.00 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 12 L 8.30 4.07 0.00 1.73 1.84 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.08 4.01 0.00 1.68 1.78 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.48 7.81 14 E 7.92 3.86 0.00 1.16 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 2.12 2.16 0.00 15 F 7.84 4.84 0.00 3.02 3.04 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 0.00 0.00 0.00 16 V 7.41 4.49 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.00 0.00 0.00 17 P 0.00 4.59 0.00 2.28 2.06 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 18 E 8.88 3.99 0.00 2.07 1.89 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 2.28 2.35 0.00 19 W 8.10 4.69 0.00 3.23 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 20 V 8.32 4.66 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 0.81 0.00 0.00 0.95 0.00 0.00 21 R 8.39 4.73 0.00 1.77 1.80 0.00 3.15 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 22 I 7.52 4.53 1.76 0.00 0.00 -0.39 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 0.54 0.77 0.00 0.00 23 G 7.37 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 24 F 8.37 4.91 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.28 4.70 0.00 3.75 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.97 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.98 4.74 4.24 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 1.20 0.00 0.00 28 T 8.29 4.96 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 29 G 8.61 4.21 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 0.00 0.00 0.00 30 A 9.25 4.14 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 31 E 7.95 4.74 0.00 1.99 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 32 F 7.28 5.18 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.03 4.42 1.09 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 0.00 0.00 34 A 8.42 4.29 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 35 H 8.57 4.86 0.00 3.03 3.12 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.52 4.66 0.00 1.84 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 37 V 8.07 4.19 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.09 0.00 0.00 38 L 8.34 4.44 0.00 1.64 1.71 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.61 4.76 0.00 4.06 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 W 8.59 5.49 0.00 3.31 3.20 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 0.00 0.00 0.00 0.00 41 Y 9.01 4.80 0.00 3.00 2.94 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 42 F 7.36 4.38 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 6.97 4.43 0.00 2.90 2.89 0.00 5.92 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.81 4.49 0.00 3.85 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.16 4.56 0.00 2.00 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 2.09 2.25 0.00 46 L 8.23 4.57 0.00 1.44 1.44 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.61 4.22 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.48 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00