NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.5124 8.1749 117.3594 63.5884 69.2490 172.5068 10 F 4.5925 9.0200 124.5797 54.4899 42.9771 169.0583 11 V 4.6598 8.4700 122.1890 60.9425 34.8185 174.2634 12 A 4.2273 8.4716 129.8407 51.4905 17.8090 177.4147 13 L 3.4845 7.9643 122.9005 58.5794 42.1861 177.0921 14 Y 5.0238 7.0446 113.0484 56.5737 42.8850 174.2356 15 D 4.9644 9.0759 120.2725 54.8154 42.2307 175.0919 16 Y 4.5998 8.2935 125.6658 56.1324 40.4377 174.1761 17 E 4.3526 8.0252 126.8895 54.6237 29.9628 176.1065 18 S 3.9872 7.7082 119.5171 57.9232 64.2992 174.3451 19 R 4.5491 8.2675 114.9705 55.7963 31.9856 174.5914 20 T 4.5705 7.2732 107.8765 60.4249 71.5264 173.7230 21 E 4.1971 8.6040 121.3022 57.9743 30.1583 176.6320 22 T 4.5760 7.8198 108.2236 62.2180 69.0928 173.2678 23 D 5.2958 7.6648 118.6622 53.6958 45.3763 174.5841 24 L 4.8933 8.4258 120.7103 53.0727 44.4182 176.5213 25 S 4.8134 8.8976 119.3899 57.6332 64.0156 173.2631 26 F 5.2928 7.5827 118.0186 55.1800 42.0086 173.2110 27 K 5.8360 8.8448 117.2618 53.4122 35.9435 175.7968 28 K 4.9559 8.4395 122.0627 57.4007 32.2662 176.9505 29 G 3.9567 8.9046 115.2267 44.8372 0.0000 172.7731 30 E 4.1562 7.9172 121.7251 56.2814 30.7470 175.7784 31 R 5.4487 8.4577 125.5647 54.8592 31.7470 175.7787 32 L 4.8254 8.3562 122.0319 53.0092 46.3388 175.9700 33 Q 4.3127 8.6328 121.8790 54.7888 28.9855 175.5404 34 I 3.5720 8.1050 124.9367 61.8580 37.3560 174.4015 35 V 4.1754 8.7141 121.4547 62.6163 33.6598 174.5764 36 N 4.9381 7.9267 117.9977 51.1722 41.2896 174.0967 37 N 4.4619 8.5180 120.3247 52.4395 37.5923 174.7345 38 T 4.3169 7.7375 110.5666 62.3406 67.7172 174.5397 39 E 4.2782 7.8500 120.9334 58.1057 30.4655 175.9572 40 G 4.4385 7.7350 104.8916 43.5878 0.0000 172.3036 41 D 4.4006 9.0030 119.1692 57.0696 41.9279 176.6823 42 W 4.7778 7.9210 117.8044 54.8488 28.4798 176.5867 43 W 5.1964 8.0001 124.8272 56.0208 30.9635 175.1044 44 L 4.2052 8.5424 123.9601 54.1092 42.6259 175.3516 45 A 5.2273 8.5191 127.9544 50.3634 22.8135 174.2254 46 H 5.2295 8.7295 119.2704 54.3204 32.7623 173.1239 47 S 4.6382 8.4947 122.3120 58.5196 63.4778 175.2785 48 L 4.3766 8.6257 123.1089 56.1138 42.0345 178.1396 49 T 3.9753 7.7799 115.3233 66.3030 68.7158 175.0719 50 T 4.1939 7.8294 116.6907 63.6756 70.4585 175.7148 51 G 4.3224 8.5019 108.4333 46.3542 0.0000 172.8501 52 Q 4.6502 7.3639 116.2940 54.2706 32.9929 175.9526 53 T 4.5878 8.2379 117.3517 62.6740 70.0661 174.6937 54 G 4.2367 8.1666 107.3427 45.9654 0.0000 173.0125 55 Y 4.9741 8.0387 124.3923 58.9788 39.5885 175.3297 56 I 4.8563 9.0655 111.3170 59.5331 41.5182 172.4368 57 P 2.9700 0.0000 0.0000 61.5393 31.7299 177.4484 58 S 3.1859 7.2338 118.6886 60.5459 62.7850 175.7730 59 N 4.4755 7.6052 116.1225 54.3475 37.3194 174.7015 60 Y 4.4176 7.9089 116.6403 57.7980 39.1033 174.9552 61 V 5.0295 7.3242 118.3916 59.9734 35.0181 174.6064 62 A 4.7630 8.5504 121.1899 49.8161 23.0479 173.9018 63 P 3.3423 0.0000 0.0000 61.5488 32.0159 176.3989 64 S 4.0983 8.0994 118.4590 58.3179 62.3046 173.5703 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 9 T 8.17 4.51 4.28 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 1.23 0.00 0.00 10 F 9.02 4.59 0.00 3.07 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 11 V 8.47 4.66 1.96 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 0.84 0.00 0.00 0.85 0.00 0.00 12 A 8.47 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.96 3.48 0.00 0.27 0.13 0.74 0.53 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 14 Y 7.04 5.02 0.00 2.88 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 15 D 9.08 4.96 0.00 2.82 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 16 Y 8.29 4.60 0.00 2.27 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.03 4.35 0.00 1.67 1.65 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 0.00 2.09 2.15 0.00 18 S 7.71 3.99 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.55 0.00 1.69 1.85 0.00 3.18 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 20 T 7.27 4.57 4.22 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 1.17 0.00 0.00 21 E 8.60 4.20 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 22 T 7.82 4.58 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 23 D 7.66 5.30 0.00 2.76 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 4.89 0.00 1.64 1.66 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.90 4.81 0.00 3.53 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.58 5.29 0.00 3.15 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 5.84 0.00 1.84 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.27 7.81 28 K 8.44 4.96 0.00 1.97 1.81 0.00 1.80 0.00 0.00 2.47 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.53 7.81 29 G 8.90 3.96 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 0.00 0.00 0.00 30 E 7.92 4.16 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 31 R 8.46 5.45 0.00 1.76 1.87 0.00 3.26 0.00 0.00 3.90 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.50 0.00 32 L 8.36 4.83 0.00 1.55 1.51 0.71 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.63 4.31 0.00 2.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 34 I 8.11 3.57 1.27 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.36 0.49 0.00 0.00 35 V 8.71 4.18 2.12 0.00 0.00 0.00 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 0.96 0.00 0.00 36 N 7.93 4.94 0.00 2.66 2.78 0.00 0.00 6.43 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.52 4.46 0.00 1.44 1.75 0.00 0.00 5.47 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.74 4.32 4.17 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 1.24 0.00 0.00 39 E 7.85 4.28 0.00 2.10 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 2.37 2.43 0.00 40 G 7.73 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 0.00 0.00 0.00 0.00 41 D 9.00 4.40 0.00 2.69 2.49 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 42 W 7.92 4.78 0.00 2.92 3.16 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 43 W 8.00 5.20 0.00 3.39 3.05 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 44 L 8.54 4.21 0.00 1.05 1.31 -0.30 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.52 5.23 1.26 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 0.00 0.00 46 H 8.73 5.23 0.00 3.25 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.49 4.64 0.00 3.82 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.63 4.38 0.00 1.66 1.75 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.78 3.98 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 1.23 0.00 0.00 50 T 7.83 4.19 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 1.22 0.00 0.00 51 G 8.50 4.32 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 0.00 52 Q 7.36 4.65 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.87 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 53 T 8.24 4.59 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 1.16 0.00 0.00 54 G 8.17 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 0.00 0.00 0.00 0.00 55 Y 8.04 4.97 0.00 3.62 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 9.07 4.86 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 1.41 0.00 0.00 57 P 0.00 2.97 0.00 1.63 0.49 0.00 3.47 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.00 58 S 7.23 3.19 0.00 3.09 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.61 4.48 0.00 2.88 2.91 0.00 0.00 6.00 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 60 Y 7.91 4.42 0.00 3.20 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.32 5.03 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 1.22 0.00 0.00 62 A 8.55 4.76 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 63 P 0.00 3.34 0.00 1.81 1.62 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 64 S 8.10 4.10 0.00 3.73 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