NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3774 8.2893 118.1929 54.5152 33.0636 174.6865 2 V 3.8132 7.6557 120.2186 60.4849 31.9464 173.7558 3 K 4.5636 8.3184 123.1637 53.9670 37.3152 176.9138 4 V 3.6437 8.2243 119.5701 62.7984 32.1891 176.2043 5 K 5.0626 8.3482 132.4371 55.5294 32.0244 175.1088 6 F 4.6134 8.7897 114.8808 57.1695 39.8199 174.1560 7 K 4.6898 8.3385 117.8889 54.9530 33.6723 175.6219 8 Y 4.7968 8.7437 127.4559 56.9380 40.5185 175.7074 9 K 3.9043 9.0268 125.2150 57.7646 32.0128 174.1303 10 G 3.7316 8.3611 100.9110 46.8548 0.0000 173.8217 11 E 4.6541 7.6691 114.8300 54.6112 33.5602 174.3637 12 E 4.3635 8.7880 125.2522 56.7014 30.0913 176.3325 13 K 4.4346 8.1880 124.8448 54.7685 35.4275 174.9340 14 E 5.2835 8.9635 126.0580 53.9684 31.8095 175.7245 15 V 4.5468 8.1675 121.7485 59.8540 34.7260 174.8649 16 D 4.4965 8.7674 123.7348 54.5574 41.3457 177.7728 17 T 3.9340 8.4280 119.6711 66.2736 68.6899 176.0330 18 S 4.2371 8.0770 115.0937 60.3776 63.6042 174.7068 19 K 4.5590 7.9051 122.2807 56.2311 31.8432 176.1959 20 I 4.7301 7.5346 118.7426 59.7378 39.3706 175.6079 21 K 4.3701 8.5356 125.9241 57.7154 32.4244 176.8647 22 K 4.6678 8.1944 116.8480 54.6407 36.2448 175.5586 23 V 4.3431 8.5276 124.3090 60.0398 29.6152 174.9366 24 A 4.5529 8.0863 132.3288 51.8648 21.4837 175.6584 25 R 4.5375 8.1844 118.0366 56.8915 32.7559 173.0534 26 V 3.8354 8.5976 120.3345 62.1983 31.1499 177.0225 27 G 3.5693 9.6970 115.9235 46.6332 0.0000 174.3293 28 K 5.0921 9.2742 119.4608 55.7338 35.0953 176.9100 29 M 5.0075 7.8771 117.8673 53.7605 35.5972 174.1179 30 V 4.4196 8.6678 119.0383 61.6385 33.5262 174.6230 31 S 5.2018 8.3273 125.3179 56.8995 63.2308 173.7083 32 F 5.0918 8.3773 120.6237 55.1985 41.4490 174.8432 33 T 4.7791 9.2499 108.8922 60.2496 71.3218 172.9134 34 Y 5.0192 8.5039 125.0109 55.3761 41.1850 174.7677 35 D 4.7005 8.8389 121.5469 53.4264 40.7490 175.3284 36 D 4.6620 8.0137 122.6181 53.4209 41.1760 175.6673 37 N 4.5491 7.7456 117.5230 54.1956 37.0888 175.3536 38 G 3.9847 7.7873 107.9944 48.8130 0.0000 172.4212 39 K 4.2215 7.1964 116.1950 56.4858 34.6733 174.8779 40 T 4.2009 8.2850 115.8383 62.7127 66.4848 173.4187 41 G 2.7049 7.8518 112.0953 45.8095 0.0000 169.5204 42 R 4.8973 8.5617 125.1165 54.2789 32.7942 174.6142 43 G 3.8711 7.7575 112.6071 44.0389 0.0000 171.5146 44 A 5.9400 8.9070 123.4601 48.7728 22.3143 175.3512 45 V 4.7164 8.4250 121.0946 59.8955 35.4158 174.9126 46 S 4.4577 8.9589 119.6599 58.7237 63.4894 175.3703 47 E 4.0359 8.5393 122.0732 59.2057 29.4375 179.3494 48 K 4.0707 8.0197 117.0768 58.4632 33.0848 176.8062 49 D 4.7075 7.7534 117.4203 53.6263 41.2475 175.4366 50 A 4.3044 7.4613 121.4255 51.1860 19.2225 176.9857 51 P 4.4425 0.0000 0.0000 61.9405 33.5057 177.7999 52 K 4.0517 8.3904 122.9558 59.6614 32.2042 177.7375 53 E 3.8489 8.1636 117.5671 59.7483 29.3052 178.3802 54 L 3.9599 7.7211 119.2500 57.6064 42.2087 178.3817 55 L 3.9973 8.2055 120.8858 57.6703 41.6428 178.0675 56 D 4.5008 8.2221 117.9135 56.7262 41.0228 177.3811 57 M 4.0852 7.4462 116.6732 56.6086 32.3284 177.3044 58 L 4.4056 7.4720 117.7608 56.1005 42.5160 178.4508 59 A 3.9931 7.4269 121.0840 54.7235 18.4439 178.0540 60 R 4.4433 7.9196 110.4409 56.0984 30.1660 176.8107 61 A 4.6444 8.2966 121.3184 51.9002 20.6920 177.7100 62 E 4.8265 8.2193 112.5716 56.3037 30.1180 176.9011 63 R 4.5181 8.1177 119.9012 57.2336 32.5030 176.4900 64 E 4.6933 8.1815 112.7581 55.5772 29.8432 175.3449 65 K 4.3325 7.6294 117.5116 58.0339 34.3609 175.7794 66 K 4.0611 7.6537 123.3580 56.8044 31.9880 176.4918 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 4.38 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 2 V 7.66 3.81 2.07 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 0.77 0.00 0.00 0.96 0.00 0.00 3 K 8.32 4.56 0.00 1.69 1.69 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.39 7.81 4 V 8.22 3.64 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 0.81 0.00 0.00 0.67 0.00 0.00 5 K 8.35 5.06 0.00 1.78 1.73 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.26 1.37 7.81 6 F 8.79 4.61 0.00 3.36 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.69 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 8 Y 8.74 4.80 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.03 3.90 0.00 1.78 1.43 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.05 1.34 7.81 10 G 8.36 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 11 E 7.67 4.65 0.00 1.95 1.83 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 2.08 2.15 0.00 12 E 8.79 4.36 0.00 1.83 1.80 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 2.27 2.28 0.00 13 K 8.19 4.43 0.00 1.47 0.74 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.16 1.31 7.81 14 E 8.96 5.28 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 15 V 8.17 4.55 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 0.52 0.00 0.00 0.89 0.00 0.00 16 D 8.77 4.50 0.00 2.81 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 17 T 8.43 3.93 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 1.15 0.00 0.00 18 S 8.08 4.24 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 4.56 0.00 2.04 2.04 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.41 7.81 20 I 7.53 4.73 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.90 0.00 0.00 21 K 8.54 4.37 0.00 1.83 1.81 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.42 7.81 22 K 8.19 4.67 0.00 1.70 1.67 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.50 7.81 23 V 8.53 4.34 2.06 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 0.75 0.00 0.00 0.93 0.00 0.00 24 A 8.09 4.55 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.18 4.54 0.00 1.80 1.78 0.00 3.25 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 26 V 8.60 3.84 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 0.82 0.00 0.00 0.99 0.00 0.00 27 G 9.70 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.27 5.09 0.00 1.84 2.03 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.26 7.81 29 M 7.88 5.01 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 30 V 8.67 4.42 2.33 0.00 0.00 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 1.03 0.00 0.00 31 S 8.33 5.20 0.00 3.84 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 32 F 8.38 5.09 0.00 3.23 3.15 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 0.00 0.00 0.00 0.00 33 T 9.25 4.78 4.16 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 1.14 0.00 0.00 34 Y 8.50 5.02 0.00 3.25 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 35 D 8.84 4.70 0.00 2.68 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 36 D 8.01 4.66 0.00 2.61 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.55 0.00 2.94 2.92 0.00 0.00 6.96 7.70 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 38 G 7.79 3.98 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 0.00 0.00 0.00 39 K 7.20 4.22 0.00 1.83 1.89 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.34 7.81 40 T 8.29 4.20 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 1.11 0.00 0.00 41 G 7.85 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 0.00 0.00 0.00 42 R 8.56 4.90 0.00 1.68 1.77 0.00 3.15 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 43 G 7.76 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 0.00 0.00 0.00 0.00 44 A 8.91 5.94 1.25 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 0.00 0.00 45 V 8.43 4.72 2.34 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 1.03 0.00 0.00 1.03 0.00 0.00 46 S 8.96 4.46 0.00 3.94 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 0.00 47 E 8.54 4.04 0.00 2.28 2.24 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 2.50 2.27 0.00 48 K 8.02 4.07 0.00 1.90 2.00 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.44 7.81 49 D 7.75 4.71 0.00 2.67 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 50 A 7.46 4.30 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.44 0.00 2.19 1.96 0.00 3.63 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 52 K 8.39 4.05 0.00 1.85 1.79 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.60 7.81 53 E 8.16 3.85 0.00 2.14 1.93 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 0.00 2.24 2.38 0.00 54 L 7.72 3.96 0.00 1.59 1.65 0.45 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.21 4.00 0.00 1.90 1.63 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.22 4.50 0.00 2.83 2.75 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 57 M 7.45 4.09 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.80 0.00 58 L 7.47 4.41 0.00 1.89 1.70 0.94 0.68 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 59 A 7.43 3.99 1.23 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 0.00 0.00 0.00 60 R 7.92 4.44 0.00 1.92 2.02 0.00 3.18 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 61 A 8.30 4.64 1.28 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 0.00 0.00 62 E 8.22 4.83 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 63 R 8.12 4.52 0.00 1.78 1.97 0.00 3.22 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 64 E 8.18 4.69 0.00 2.02 1.97 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 0.00 2.15 2.25 0.00 65 K 7.63 4.33 0.00 1.68 1.89 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.45 7.81 66 K 7.65 4.06 0.00 1.79 1.69 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.40 7.81