NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.5007 8.1293 118.3695 57.5635 38.8167 173.3936 2 P 4.5303 0.0000 0.0000 60.5076 33.4376 174.6842 3 S 4.5294 8.1761 109.6779 59.3461 65.4418 176.3596 4 K 4.4897 7.3810 117.0538 54.9890 33.0658 172.3866 5 P 4.4096 0.0000 0.0000 63.5420 32.3966 176.4872 6 D 4.3167 8.2134 115.2592 53.9007 43.9418 174.4719 7 N 4.6700 8.4396 122.8395 52.0583 41.6830 172.0548 8 P 4.4648 0.0000 0.0000 62.8383 32.6495 173.8300 9 G 3.5982 9.3428 110.6053 45.0718 0.0000 171.5437 10 E 4.4596 7.8125 118.9216 55.8521 32.9724 176.7922 11 D 4.6122 8.6242 126.1075 53.5647 38.9744 175.4452 12 A 4.1522 7.6509 124.8236 50.8164 19.4674 175.9110 13 P 4.4138 0.0000 0.0000 63.0026 32.3791 176.0956 14 A 3.8666 8.8358 117.7675 52.6008 15.4321 178.4721 15 E 4.5411 7.6226 115.4233 57.3414 31.0393 174.9050 16 D 4.4426 7.6994 124.2734 53.6904 45.4854 177.5525 17 L 4.0901 7.7465 120.2086 58.1274 41.9896 178.3741 18 A 4.0198 8.1581 120.2654 55.3626 18.2095 179.2748 19 Q 3.9137 8.0500 117.2733 59.4017 29.1913 177.5469 20 Y 4.1726 8.0142 119.9106 60.8927 38.9296 177.7587 21 A 3.7912 8.7489 121.7278 55.0825 18.4219 179.5670 22 A 3.9004 8.1326 119.1602 55.2390 18.5300 179.1041 23 D 4.2882 8.6141 116.9433 57.6539 41.1940 178.7254 24 L 3.9697 8.0356 119.4226 58.0080 41.6404 179.7055 25 R 3.9856 8.3795 118.3392 59.3261 29.9077 178.7752 26 H 4.0907 8.7979 118.4614 59.3187 29.9135 176.5435 27 Y 4.1882 8.4562 121.7527 60.7639 38.5982 177.8977 28 I 3.6622 8.2374 119.7891 64.4168 37.9498 177.5950 29 N 4.6564 7.8276 116.9239 55.7596 38.4862 176.9820 30 L 4.0924 8.0918 120.8840 57.6136 41.7869 179.1725 31 I 3.7338 8.3962 120.0496 64.6723 37.0196 178.4053 32 T 3.8063 8.5053 110.9227 64.7985 68.0165 175.2848 33 R 4.4916 7.3399 118.3929 56.0025 30.2994 176.5430 34 Q 4.4776 7.4895 114.5789 55.8855 33.2090 177.2633 35 R 4.4366 7.8938 123.9410 55.0155 29.2945 175.7307 36 Y 4.4060 8.9212 114.0899 57.3382 37.5665 176.5201 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 Y 8.13 4.50 0.00 3.01 3.02 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 0.00 0.00 0.00 2 P 0.00 4.53 0.00 2.27 2.11 0.00 3.66 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 1.97 2.00 0.00 3 S 8.18 4.53 0.00 3.96 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 4 K 7.38 4.49 0.00 1.83 1.81 0.00 1.58 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.37 7.81 5 P 0.00 4.41 0.00 2.20 2.10 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 6 D 8.21 4.32 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.67 0.00 2.65 2.61 0.00 0.00 7.24 7.69 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 8 P 0.00 4.46 0.00 2.22 2.05 0.00 3.90 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 9 G 9.34 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.46 0.00 1.91 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 2.17 2.23 0.00 11 D 8.62 4.61 0.00 2.61 2.61 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 12 A 7.65 4.15 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 13 P 0.00 4.41 0.00 2.21 2.11 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 14 A 8.84 3.87 1.44 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 15 E 7.62 4.54 0.00 1.94 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 0.00 2.22 2.33 0.00 16 D 7.70 4.44 0.00 2.69 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 4.09 0.00 1.85 1.70 1.13 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.16 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 3.91 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 20 Y 8.01 4.17 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.75 3.79 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.13 3.90 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.61 4.29 0.00 2.91 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.97 0.00 1.64 1.56 0.48 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.38 3.99 0.00 1.95 1.99 0.00 3.28 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 26 H 8.80 4.09 0.00 3.30 3.46 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.46 4.19 0.00 3.22 2.82 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 28 I 8.24 3.66 2.07 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.99 0.00 0.00 29 N 7.83 4.66 0.00 2.92 2.82 0.00 0.00 6.96 7.97 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 30 L 8.09 4.09 0.00 2.02 1.72 0.83 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.40 3.73 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 0.90 0.00 0.00 32 T 8.51 3.81 4.20 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 1.24 0.00 0.00 33 R 7.34 4.49 0.00 1.76 1.89 0.00 3.17 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 34 Q 7.49 4.48 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 35 R 7.89 4.44 0.00 1.83 1.41 0.00 3.39 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 36 Y 8.92 4.41 0.00 3.12 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