NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.4274 8.3193 115.3020 58.0701 63.4972 172.6139 16 I 4.2520 8.4925 121.3617 58.8155 38.7321 173.5785 17 R 4.3857 8.6376 125.7899 54.4578 31.1744 177.1441 18 L 3.6818 7.8706 123.1931 52.5593 42.7674 174.4829 19 P 4.1366 0.0000 0.0000 62.2145 32.0891 177.4493 20 A 3.9235 8.6526 124.4005 55.7632 18.1937 179.6930 21 H 4.3723 7.7936 108.4148 57.4280 28.2878 175.7112 22 L 4.4697 7.6073 119.4698 54.6444 42.1664 177.6657 23 R 4.2683 7.8711 117.0735 56.8678 30.0668 176.6043 24 L 4.4004 7.4465 119.6005 54.0278 43.1057 176.4473 25 Q 3.9084 8.7416 122.7636 55.5512 29.3271 176.0686 26 P 2.0000 0.0000 0.0000 64.6436 31.3351 178.2909 27 I 3.4221 6.9643 116.6729 63.2230 37.9246 175.6985 28 Y 4.7002 7.5814 116.1477 57.5068 38.4432 175.7485 29 W 4.6757 7.6778 122.1738 56.5520 29.8539 176.3491 30 S 4.7948 9.0238 118.8350 57.4039 64.4790 175.2058 31 R 4.4620 8.5005 122.3244 59.3678 29.5885 177.9670 32 D 4.4581 8.0907 117.8832 57.2208 40.8279 178.2741 33 D 4.2263 8.0149 119.6018 57.4834 40.7182 179.2803 34 V 3.7479 7.8215 112.2844 64.1731 31.5382 178.5142 35 A 4.1069 7.8396 119.9372 55.3628 18.1473 179.7512 36 Q 4.0221 8.2477 116.6187 58.5779 28.7273 178.6951 37 W 4.1952 8.2994 129.6785 60.4082 30.7724 177.8483 38 L 3.6258 8.3494 119.2688 57.8171 40.6183 179.5717 39 K 3.9647 8.0509 119.2988 59.0459 32.0158 178.7044 40 W 4.0535 8.5897 128.7136 60.4933 30.7445 177.7855 41 A 3.5371 8.4572 121.1587 54.8945 17.4666 179.0462 42 E 3.7772 8.0750 117.7226 59.5912 29.5702 178.7544 43 N 4.1826 7.5838 116.1179 56.5362 38.8081 176.5486 44 E 3.3311 7.6064 120.0354 57.9289 29.4933 177.2226 45 F 4.6615 7.3228 114.3433 56.2457 39.9418 175.3009 46 S 3.6189 7.2472 115.2356 59.4862 60.5599 172.1936 47 L 4.4592 7.5579 118.5334 53.3306 43.0314 177.6545 48 R 4.0425 8.1609 118.9190 55.4149 30.5343 175.3597 49 P 4.6341 0.0000 0.0000 62.5487 31.7430 175.8444 50 I 4.3436 8.5898 124.5836 59.3691 38.4097 175.4210 51 D 4.5105 8.5337 125.0368 54.1612 41.7304 177.2722 52 S 4.2539 8.7153 121.4247 61.2937 63.0482 174.7939 53 N 4.9208 7.9217 116.1017 53.3989 38.3755 176.2914 54 T 3.9741 7.8028 118.2755 65.9506 68.8379 175.1271 55 F 4.7895 7.8485 118.3823 55.8085 39.3032 175.3620 56 E 4.4266 8.0002 124.4448 53.9363 28.2118 175.7271 57 M 4.4806 7.4534 117.7894 53.2011 34.0836 175.1310 58 N 5.2986 8.3259 118.6155 51.8240 40.5323 176.0395 59 G 4.2008 8.9742 108.2702 47.4762 0.0000 175.8953 60 K 3.8732 8.1168 119.1571 59.2991 32.3866 178.7073 61 A 4.1920 8.3841 120.9798 54.7635 18.0783 179.3920 62 L 4.0690 7.9597 119.0821 58.2116 41.9695 178.6473 63 L 4.0531 7.7679 116.6887 56.1521 41.7309 177.8639 64 L 4.2871 7.6448 118.7709 56.5901 42.1834 177.7280 65 L 4.3663 7.3829 118.6651 55.1072 42.1068 177.8121 66 T 4.4549 8.6255 119.9398 62.3189 71.0099 176.1273 67 K 3.2776 7.8829 121.9419 59.5553 31.9929 178.3227 68 E 4.0009 8.0959 118.4232 59.6104 29.3782 178.9708 69 D 4.4259 8.0476 118.3503 57.3402 40.9517 178.5954 70 F 4.2972 8.4683 118.0384 60.8086 38.4605 177.9414 71 R 4.1914 8.4389 117.7392 59.4363 29.6255 178.5644 72 Y 3.9908 8.0729 118.4045 60.8409 38.9223 177.9303 73 R 4.2000 8.1269 117.8970 57.5149 31.2400 176.6363 74 S 4.5544 8.5059 113.5081 55.0829 62.6726 171.9597 75 P 4.5244 0.0000 0.0000 64.4392 31.5397 177.5801 76 H 4.6223 8.0502 113.8614 57.5727 29.2544 175.9225 77 S 4.6877 8.2197 111.3378 56.8529 65.2279 175.7364 78 G 4.1564 8.9761 109.7457 48.2409 0.0000 175.4489 79 D 4.4176 8.2082 121.5920 55.9740 39.2960 178.0300 80 E 3.8254 8.1551 120.2354 58.9271 29.7311 178.5122 81 L 3.9670 8.1994 119.1995 58.0076 41.7266 178.9293 82 Y 3.1009 8.0902 119.3482 60.5872 38.6858 178.0969 83 E 3.9695 8.3102 119.4417 58.9826 29.4863 179.0870 84 L 3.9824 8.1116 120.7840 58.1128 42.1256 178.7821 85 L 3.9386 8.1032 120.2738 58.3353 42.0055 178.9858 86 Q 3.7634 7.7174 117.9555 59.1453 28.5316 178.5176 87 H 4.1799 8.3367 117.4096 58.6483 28.5039 177.9175 88 I 3.7504 7.7574 120.9065 64.4767 37.0617 178.1861 89 L 3.9741 7.7892 118.7499 57.5055 41.4248 179.2135 90 K 4.0339 7.7560 118.9260 59.3837 32.2346 177.1680 91 Q 4.2894 7.9039 121.7535 56.1862 28.7827 175.9249 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 15 S 8.32 4.43 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.49 4.25 2.26 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.19 1.17 0.00 0.00 17 R 8.64 4.39 0.00 1.90 1.97 0.00 3.38 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 18 L 7.87 3.68 0.00 0.47 0.49 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.14 0.00 1.69 1.75 0.00 2.81 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 20 A 8.65 3.92 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 21 H 7.79 4.37 0.00 3.18 3.42 0.00 5.68 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.61 4.47 0.00 1.55 1.38 0.64 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.87 4.27 0.00 1.84 1.98 0.00 3.14 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 24 L 7.45 4.40 0.00 1.80 1.89 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.74 3.91 0.00 2.13 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 26 P 0.00 2.00 0.00 1.39 0.58 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.88 0.00 27 I 6.96 3.42 1.46 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.51 -0.10 0.00 0.00 28 Y 7.58 4.70 0.00 3.01 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 29 W 7.68 4.68 0.00 3.40 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 30 S 9.02 4.79 0.00 4.12 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 31 R 8.50 4.46 0.00 2.00 2.04 0.00 3.33 0.00 0.00 3.46 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 32 D 8.09 4.46 0.00 2.81 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 33 D 8.01 4.23 0.00 2.96 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 0.00 0.00 0.00 0.00 34 V 7.82 3.75 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 1.16 0.00 0.00 1.20 0.00 0.00 35 A 7.84 4.11 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 36 Q 8.25 4.02 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 37 W 8.30 4.20 0.00 2.88 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 38 L 8.35 3.63 0.00 2.10 1.73 0.71 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.05 3.96 0.00 1.99 1.99 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 40 W 8.59 4.05 0.00 3.45 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 3.54 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.07 3.78 0.00 2.10 2.08 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 2.26 2.29 0.00 43 N 7.58 4.18 0.00 2.79 2.58 0.00 0.00 6.92 7.53 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 44 E 7.61 3.33 0.00 1.16 1.12 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 0.00 1.47 1.47 0.00 45 F 7.32 4.66 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.25 3.62 0.00 4.09 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.56 4.46 0.00 1.64 1.60 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.16 4.04 0.00 1.77 1.81 0.00 3.32 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.35 0.00 49 P 0.00 4.63 0.00 2.03 2.01 0.00 3.69 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 50 I 8.59 4.34 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.80 1.04 0.00 0.00 51 D 8.53 4.51 0.00 2.76 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.72 4.25 0.00 3.93 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 53 N 7.92 4.92 0.00 2.84 2.98 0.00 0.00 7.03 8.82 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 54 T 7.80 3.97 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 1.04 0.00 0.00 55 F 7.85 4.79 0.00 3.06 3.03 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 0.00 0.00 0.00 56 E 8.00 4.43 0.00 1.99 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 0.00 2.35 2.44 0.00 57 M 7.45 4.48 0.00 2.21 2.18 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 2.63 2.65 0.00 58 N 8.33 5.30 0.00 3.32 3.08 0.00 0.00 5.82 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 59 G 8.97 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 0.00 0.00 0.00 0.00 60 K 8.12 3.87 0.00 1.92 1.87 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.64 7.81 61 A 8.38 4.19 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.07 0.00 1.97 1.85 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.77 4.05 0.00 1.60 1.63 0.68 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.64 4.29 0.00 1.87 1.76 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.38 4.37 0.00 2.06 1.97 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.63 4.45 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 1.17 0.00 0.00 67 K 7.88 3.28 0.00 0.79 1.44 0.00 1.43 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.03 7.81 68 E 8.10 4.00 0.00 2.05 2.01 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 2.40 2.38 0.00 69 D 8.05 4.43 0.00 3.03 2.77 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 70 F 8.47 4.30 0.00 3.32 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.44 4.19 0.00 2.12 2.04 0.00 3.16 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 1.72 1.89 0.00 72 Y 8.07 3.99 0.00 3.07 3.12 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 0.00 0.00 0.00 0.00 73 R 8.13 4.20 0.00 1.47 1.37 0.00 2.67 0.00 0.00 2.33 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 74 S 8.51 4.55 0.00 3.94 4.04 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 75 P 0.00 4.52 0.00 1.84 1.99 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 76 H 8.05 4.62 0.00 3.14 3.35 0.00 5.84 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.22 4.69 0.00 3.91 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 78 G 8.98 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 0.00 0.00 0.00 0.00 79 D 8.21 4.42 0.00 2.98 2.97 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 0.00 0.00 0.00 80 E 8.16 3.83 0.00 2.02 2.10 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 2.18 2.24 0.00 81 L 8.20 3.97 0.00 2.33 2.17 0.64 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 8.09 3.10 0.00 2.15 2.87 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 83 E 8.31 3.97 0.00 2.15 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 2.62 2.51 0.00 84 L 8.11 3.98 0.00 1.97 2.16 1.22 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.10 3.94 0.00 1.93 1.58 0.33 0.84 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 86 Q 7.72 3.76 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 1.92 2.24 0.00 87 H 8.34 4.18 0.00 3.39 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.76 3.75 1.99 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.82 0.87 0.00 0.00 89 L 7.79 3.97 0.00 1.62 1.59 0.70 0.93 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 90 K 7.76 4.03 0.00 1.94 1.85 0.00 1.78 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.52 7.81 91 Q 7.90 4.29 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.32 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00