NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3854 0.0000 0.0000 61.5407 32.7836 175.9617 2 K 3.7417 8.6845 119.6991 56.4605 32.2910 175.6318 3 I 3.7642 9.3854 126.1721 61.7899 38.4668 175.5027 4 K 4.3269 8.5170 124.5702 56.0600 32.9127 176.5424 5 T 4.2333 8.2831 117.5556 60.9718 68.4696 174.8127 6 V 3.7691 8.0283 127.5017 62.8899 30.2739 176.6641 7 R 4.0240 8.6695 127.7850 58.9882 30.3750 179.7092 8 G 3.7097 8.1372 104.1361 47.3962 0.0000 175.6022 9 A 4.1758 8.1491 122.6003 54.8147 18.1211 179.5357 10 A 4.1711 7.4787 117.5964 54.7479 18.4814 178.9275 11 K 4.3935 7.3977 114.9714 56.8081 32.2586 177.6830 12 R 4.3589 7.8902 117.2280 55.2802 32.3815 174.8493 13 F 5.2686 7.8496 113.8764 54.6348 43.1009 174.9688 14 K 4.5261 9.2473 121.1083 55.3031 35.0898 174.8588 15 K 3.3791 9.0345 129.4873 57.5754 32.6746 175.9989 16 T 4.3760 7.9602 117.4373 59.7913 71.6395 175.1945 17 G 3.8724 7.8795 109.9470 49.0137 0.0000 174.8333 18 K 4.2657 8.0066 116.6908 55.6535 32.1436 177.3049 19 G 3.8098 8.3601 107.1559 45.3979 0.0000 175.1423 20 G 4.0756 7.4757 111.0054 44.8239 0.0000 174.5346 21 F 4.6506 8.6212 113.1645 55.8652 42.1115 171.5252 22 K 4.7283 8.7118 125.6117 55.7681 34.0244 173.8564 23 H 4.7778 7.8980 115.5068 54.0412 31.1285 172.8490 24 K 4.3123 8.1491 121.5593 56.2868 32.8233 176.3302 25 H 4.5627 8.3680 119.9741 55.2969 29.5812 175.2292 26 A 4.3688 8.1749 124.6172 52.6602 19.5447 177.5723 27 N 4.6162 9.0392 116.3795 52.9363 36.5129 174.8959 28 L 4.7524 7.4878 119.6978 54.7503 42.2565 176.0327 29 R 4.5501 8.2735 114.7682 54.9230 31.9695 173.5234 30 H 4.2402 8.7059 117.7196 57.7301 31.9095 175.2478 31 I 3.1677 6.8309 116.4112 62.3226 35.1419 172.6466 32 L 4.5709 7.5361 127.1280 56.5602 44.2983 179.4182 33 T 3.5741 7.7136 111.3756 64.7093 67.6689 174.1076 34 K 4.2484 7.8417 118.1557 57.4807 33.5092 176.7133 35 K 4.3465 8.3646 120.2296 54.9917 33.3847 177.0385 36 A 4.1468 8.2939 124.0558 52.1489 20.2597 178.7491 37 T 3.7974 8.5914 120.4834 67.5297 68.6063 175.8680 38 K 3.6526 8.4025 119.7412 59.3526 31.6553 178.1741 39 R 3.8532 7.7469 120.2201 59.8302 30.7599 178.5792 40 K 4.1289 8.2815 118.0514 59.2172 31.4833 179.3406 41 R 3.8810 8.3524 119.6157 59.8048 29.7848 178.0618 42 H 4.4672 8.0693 114.0101 57.7615 28.7849 176.8957 43 L 4.2348 7.7051 120.1578 56.4396 41.8409 178.5294 44 R 4.1292 7.4382 117.3332 57.9436 30.3351 175.4319 45 P 4.4549 0.0000 0.0000 62.3713 32.0771 175.6387 46 K 4.4671 8.1631 118.3258 56.4736 33.9269 175.5456 47 A 4.5196 7.9888 120.1144 51.7238 22.9309 175.9301 48 M 4.9015 8.5857 119.0938 54.8116 33.1081 177.1064 49 V 4.0407 8.4863 121.5369 61.1167 33.0787 176.2726 50 S 4.5569 8.3447 116.8336 57.3954 64.4203 175.2251 51 K 4.1258 8.6198 119.7120 59.5281 31.3993 179.8643 52 G 3.5910 8.0115 104.7736 47.3209 0.0000 174.7222 53 D 4.5466 7.9905 119.9399 55.7575 41.0798 178.2482 54 L 4.0144 7.4913 120.8354 58.1498 41.6044 179.0627 55 G 3.4994 7.9117 104.7045 47.5789 0.0000 174.9388 56 L 3.8987 7.8345 121.1275 57.6764 41.5908 179.6375 57 V 3.0874 7.6591 117.3091 66.3216 31.4023 178.4563 58 I 3.6295 7.4079 118.7568 63.7475 36.7314 177.3873 59 A 4.3383 7.9284 119.4579 53.0413 18.9501 178.0247 60 C 4.4744 7.5769 114.9717 59.4401 30.0800 173.1931 61 L 5.0411 7.3886 120.1999 52.6842 41.8375 175.0485 62 P 4.4304 0.0000 0.0000 63.8306 32.0746 177.2973 63 Y 4.6226 7.7606 115.1341 57.8754 38.6379 175.3773 64 A 4.3257 8.0240 129.1812 52.5514 18.6077 178.0818 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 P 0.00 4.39 0.00 2.08 2.07 0.00 3.68 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 1.93 2.12 0.00 2 K 8.68 3.74 0.00 1.86 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.55 7.81 3 I 9.39 3.76 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.48 0.92 0.00 0.00 4 K 8.52 4.33 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.45 7.81 5 T 8.28 4.23 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 6 V 8.03 3.77 2.21 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 0.95 0.00 0.00 0.97 0.00 0.00 7 R 8.67 4.02 0.00 1.89 1.99 0.00 3.36 0.00 0.00 3.53 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 8 G 8.14 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.18 1.48 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 0.00 0.00 10 A 7.48 4.17 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.40 4.39 0.00 1.68 1.84 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.66 7.81 12 R 7.89 4.36 0.00 1.55 1.19 0.00 2.98 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 13 F 7.85 5.27 0.00 2.89 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 14 K 9.25 4.53 0.00 1.91 1.72 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.58 7.81 15 K 9.03 3.38 0.00 1.64 1.63 0.00 0.96 0.00 0.00 1.41 0.00 0.00 2.69 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.22 7.81 16 T 7.96 4.38 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 17 G 7.88 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 18 K 8.01 4.27 0.00 1.72 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.40 7.81 19 G 8.36 3.81 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 0.00 0.00 0.00 20 G 7.48 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.62 4.65 0.00 3.18 3.21 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 22 K 8.71 4.73 0.00 2.12 2.06 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.41 7.81 23 H 7.90 4.78 0.00 3.08 3.41 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.15 4.31 0.00 1.68 1.69 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 25 H 8.37 4.56 0.00 3.33 3.20 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.17 4.37 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 27 N 9.04 4.62 0.00 2.79 3.32 0.00 0.00 6.73 7.85 0.00 0.00 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 L 7.49 4.75 0.00 1.57 1.61 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.27 4.55 0.00 1.76 1.86 0.00 3.40 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 30 H 8.71 4.24 0.00 3.17 3.20 0.00 5.78 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 6.83 3.17 1.79 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 1.40 0.72 0.94 0.00 0.00 32 L 7.54 4.57 0.00 1.68 1.61 0.92 0.64 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 33 T 7.71 3.57 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 34 K 7.84 4.25 0.00 1.89 1.90 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.45 7.81 35 K 8.36 4.35 0.00 1.76 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.55 7.81 36 A 8.29 4.15 1.27 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 0.00 0.00 0.00 37 T 8.59 3.80 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 38 K 8.40 3.65 0.00 1.80 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 39 R 7.75 3.85 0.00 1.85 2.16 0.00 3.29 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 40 K 8.28 4.13 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.66 7.81 41 R 8.35 3.88 0.00 1.87 2.04 0.00 3.04 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 42 H 8.07 4.47 0.00 3.30 3.31 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.71 4.23 0.00 1.80 1.73 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.44 4.13 0.00 1.99 2.03 0.00 3.17 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 45 P 0.00 4.45 0.00 2.20 2.09 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 46 K 8.16 4.47 0.00 1.63 1.89 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.37 7.81 47 A 7.99 4.52 1.10 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 0.00 0.00 48 M 8.59 4.90 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.51 0.00 49 V 8.49 4.04 2.20 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 0.96 0.00 0.00 0.90 0.00 0.00 50 S 8.34 4.56 0.00 4.05 4.08 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.62 4.13 0.00 1.87 1.91 0.00 1.57 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.58 7.81 52 G 8.01 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.99 4.55 0.00 2.70 2.65 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 0.00 0.00 0.00 54 L 7.49 4.01 0.00 2.04 1.69 1.11 1.04 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 55 G 7.91 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 3.90 0.00 1.62 1.64 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.66 3.09 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 -0.65 0.00 0.00 0.09 0.00 0.00 58 I 7.41 3.63 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.28 0.93 0.00 0.00 59 A 7.93 4.34 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 60 C 7.58 4.47 0.00 2.94 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 61 L 7.39 5.04 0.00 1.68 1.61 0.82 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.43 0.00 1.78 2.01 0.00 3.76 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 1.88 1.92 0.00 63 Y 7.76 4.62 0.00 3.02 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 64 A 8.02 4.33 1.56 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 0.00 0.00