NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4657 8.3349 116.7948 59.4383 63.6389 171.2806 2 T 4.4923 7.5145 117.7107 64.1573 76.4400 172.5938 3 N 4.4196 7.8644 118.7324 53.3196 40.3886 173.9139 4 P 4.2550 0.0000 0.0000 62.8444 31.9578 175.7229 5 K 3.7564 7.2967 120.1454 56.4278 28.9560 172.0222 6 P 4.5017 0.0000 0.0000 61.9705 32.9669 175.6317 7 Q 3.7717 8.6399 122.1855 56.3825 28.0470 176.7123 8 R 4.3043 8.1625 126.3924 56.7783 32.2981 172.1273 9 K 4.3204 7.5505 131.1275 55.1133 40.0433 176.1195 10 T 3.8946 7.8457 112.8566 61.5290 70.3626 171.3637 11 K 4.0695 8.3293 123.7614 56.9212 32.3704 177.3099 12 R 4.2762 8.0311 119.3139 56.4273 30.1593 172.4279 13 N 4.8034 8.4644 120.3373 54.5106 41.2147 175.5485 14 T 4.4319 7.2409 114.6769 59.2097 67.5881 169.8413 15 N 4.2158 8.3815 122.2302 53.2623 38.4666 174.5225 16 R 4.2413 7.8177 123.8737 54.5299 32.5141 174.7970 17 R 4.2320 8.6764 120.4414 56.9441 27.1890 175.3667 18 P 4.3884 0.0000 0.0000 64.9203 32.0860 175.9982 19 Q 4.4445 7.6545 117.7039 55.0902 29.2511 174.8405 20 D 4.5190 7.5285 116.8300 55.6833 47.3800 176.2637 21 V 3.3588 7.1615 115.0298 63.2754 31.5534 175.9705 22 K 4.5452 7.5896 116.8689 56.4119 33.5294 175.7037 23 F 3.3928 6.7306 116.5608 58.6007 36.3395 174.2768 24 P 4.5062 0.0000 0.0000 63.1545 32.0765 179.2122 25 G 3.7391 7.4664 108.4451 47.7177 0.0000 173.3225 26 G 4.1858 7.1301 109.6287 46.5238 0.0000 174.7119 27 G 3.8191 8.7338 105.7694 45.0949 0.0000 174.1131 28 Q 4.2638 8.9579 121.2710 55.0101 32.5296 175.6924 29 I 4.3622 8.2227 108.5379 62.0844 36.5431 173.6882 30 V 4.4457 7.2525 118.5688 62.5602 31.2167 176.2200 31 G 3.9123 7.8775 107.4609 45.0397 0.0000 175.5369 32 G 2.0000 7.4160 108.3126 46.7482 0.0000 175.5192 33 V 3.8330 7.6903 117.5755 64.4779 32.0077 175.6548 34 Y 4.2838 7.6905 115.7908 58.7622 39.0026 176.7504 35 L 4.4960 7.3851 118.4482 54.6818 42.0213 177.6716 36 L 4.2749 7.7389 120.3812 56.9172 43.4550 176.0894 37 P 4.2882 0.0000 0.0000 64.0797 31.3953 177.0106 38 R 4.1440 9.5328 112.4155 56.4673 28.4319 178.3341 39 R 4.2895 9.2740 118.5249 55.4504 32.0509 175.2280 40 G 4.4633 8.1657 105.9824 45.9887 0.0000 171.2439 41 P 4.4132 0.0000 0.0000 62.5204 32.7144 177.4540 42 R 4.3654 8.2998 116.4968 55.0493 29.8586 176.7869 43 L 4.7672 8.1274 125.8148 53.4225 41.8520 177.2193 44 G 3.7407 7.8061 110.7298 45.8398 0.0000 172.2726 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 8.33 4.47 0.00 3.88 3.91 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 0.00 0.00 0.00 2 T 7.51 4.49 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 1.21 0.00 0.00 3 N 7.86 4.42 0.00 2.74 2.76 0.00 0.00 6.64 8.03 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 4 P 0.00 4.25 0.00 2.17 2.16 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 5 K 7.30 3.76 0.00 1.93 1.89 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.36 7.81 6 P 0.00 4.50 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 7 Q 8.64 3.77 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 8 R 8.16 4.30 0.00 1.70 1.80 0.00 3.27 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 9 K 7.55 4.32 0.00 1.70 1.51 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.38 7.81 10 T 7.85 3.89 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 1.21 0.00 0.00 11 K 8.33 4.07 0.00 1.78 1.77 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.43 7.81 12 R 8.03 4.28 0.00 1.70 1.80 0.00 3.23 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 13 N 8.46 4.80 0.00 2.68 2.73 0.00 0.00 6.90 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 14 T 7.24 4.43 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 1.20 0.00 0.00 15 N 8.38 4.22 0.00 2.69 2.78 0.00 0.00 7.33 7.64 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 16 R 7.82 4.24 0.00 1.82 1.85 0.00 3.41 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 17 R 8.68 4.23 0.00 1.93 2.18 0.00 3.18 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 18 P 0.00 4.39 0.00 2.20 2.14 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 19 Q 7.65 4.44 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 20 D 7.53 4.52 0.00 2.58 2.58 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 21 V 7.16 3.36 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 0.86 0.00 0.00 0.91 0.00 0.00 22 K 7.59 4.55 0.00 2.01 2.01 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.62 1.35 7.81 23 F 6.73 3.39 0.00 3.44 3.23 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 24 P 0.00 4.51 0.00 2.20 2.26 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 25 G 7.47 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 26 G 7.13 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.73 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 8.96 4.26 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 5.44 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 29 I 8.22 4.36 1.99 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.97 0.00 0.00 30 V 7.25 4.45 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 0.28 0.00 0.00 0.94 0.00 0.00 31 G 7.88 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.69 3.83 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 0.44 0.00 0.00 1.22 0.00 0.00 34 Y 7.69 4.28 0.00 3.11 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 35 L 7.39 4.50 0.00 1.38 1.59 0.69 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.74 4.27 0.00 1.58 1.72 0.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.29 0.00 2.17 1.83 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.91 0.00 38 R 9.53 4.14 0.00 1.93 1.56 0.00 3.01 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 39 R 9.27 4.29 0.00 1.77 1.96 0.00 3.19 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 40 G 8.17 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.20 2.07 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 42 R 8.30 4.37 0.00 1.90 1.98 0.00 2.96 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 43 L 8.13 4.77 0.00 1.62 1.64 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.81 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