NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.1056 8.3101 121.7904 54.8848 34.1719 176.2396 20 A 4.0730 7.2937 127.2626 49.6230 20.2236 174.7315 21 K 4.3387 8.5671 122.4521 57.1793 34.1885 176.8741 22 V 3.7263 8.0468 122.9951 65.4733 31.2896 177.8587 23 K 4.3997 8.3414 119.7907 59.5459 31.8596 178.6204 24 A 4.1886 7.9171 119.5915 55.1678 18.4568 179.2713 25 T 3.9905 7.7365 113.6388 64.9136 68.6519 174.5343 26 L 4.7365 6.9445 118.2680 52.7115 44.6515 176.8922 27 G 4.0993 8.1877 111.2076 45.2125 0.0000 173.1855 28 E 4.1046 8.7502 122.5835 56.4092 30.3977 176.8418 29 F 4.7248 7.5393 116.8179 56.0870 40.0379 172.8614 30 D 4.5795 8.6345 122.5138 53.7008 41.3873 176.5105 31 L 5.4371 8.2900 129.1031 55.9095 41.1560 177.3483 32 R 4.5453 7.9381 114.0495 56.9772 33.5426 175.3502 33 D 4.4524 7.7055 118.5815 53.6777 40.0503 175.1098 34 Y 4.6692 7.9681 126.5232 57.3196 38.2515 177.0045 35 R 4.4362 7.7914 118.8670 58.4511 34.7109 176.6129 36 N 4.6857 8.0819 115.2189 53.8785 35.4339 176.6017 37 V 3.4613 7.4621 114.9746 65.2121 32.0375 177.9691 38 E 4.0603 8.0833 116.9274 60.0564 29.5394 179.0012 39 V 3.3037 7.9423 118.3057 65.1145 31.4858 177.5462 40 L 4.0847 7.7648 117.7061 58.2219 41.5541 179.4533 41 K 3.7597 8.6782 118.6329 59.7922 31.9449 178.2381 42 R 3.8915 7.5978 118.4416 58.8137 30.2188 176.8755 43 F 4.7646 7.6029 116.2577 57.7149 38.6277 176.5160 44 L 4.3448 7.8236 123.9503 53.8907 43.3611 173.5140 45 S 3.8222 7.9980 119.5053 57.4593 64.4375 172.0688 46 E 4.8895 8.4794 122.3403 55.9537 28.1181 177.0814 47 T 4.7453 7.6596 112.6072 63.2427 74.8139 175.6289 48 G 4.0292 8.5042 108.8802 45.3853 0.0000 174.5947 49 K 3.7579 7.8633 117.6072 56.8569 32.3985 176.2008 50 I 3.8592 8.2674 123.5756 61.2709 37.3325 175.9099 51 L 4.1767 8.3219 127.9445 54.3763 41.7477 175.9364 52 P 4.3361 0.0000 0.0000 63.0594 32.2674 177.4095 53 R 3.8533 8.7016 119.4161 59.7776 30.3187 179.2642 54 R 4.5718 7.6791 115.7919 55.4055 29.1784 176.5771 55 R 4.8274 7.6470 116.2011 57.8045 37.7400 178.1718 56 T 4.0164 7.9484 107.8450 63.0382 69.2918 175.2768 57 G 3.6334 8.1658 108.4118 46.2843 0.0000 172.7116 58 L 4.8770 7.4580 116.6490 52.5803 44.7708 177.2596 59 S 4.4444 9.3731 115.4174 57.0951 64.6952 174.7954 60 A 3.9620 8.4927 125.6079 55.5993 17.7959 179.9462 61 K 3.9992 7.9529 117.0430 59.4885 32.3398 178.5512 62 E 3.9550 7.9913 118.6617 59.1458 29.4515 178.4084 63 Q 3.8587 8.1624 119.3957 60.3943 29.0383 178.6191 64 R 3.7785 7.6500 116.5689 60.0854 30.0426 178.4093 65 I 3.6561 7.8443 111.3370 64.9288 37.5433 177.3405 66 L 3.8889 8.1051 121.4848 57.9943 41.7633 178.5132 67 A 4.0339 8.5593 120.5421 55.2731 18.3278 179.6097 68 K 3.9645 8.3361 118.4671 59.6962 32.3976 178.9056 69 T 4.1650 8.0566 109.5381 63.7993 68.8922 177.0965 70 I 3.6760 8.0599 123.7243 64.3141 36.9615 177.9333 71 K 3.7091 8.0745 118.2784 59.8110 32.2337 178.8215 72 R 3.9724 7.6838 117.4877 59.5112 30.1263 178.7263 73 A 4.0691 7.8777 119.4678 55.4430 18.2667 179.6672 74 R 4.0559 7.8174 116.0756 57.8195 30.3947 178.2448 75 I 4.3621 7.9421 119.9215 63.0359 37.9106 177.3978 76 L 4.2385 7.7427 116.3463 54.6437 40.9036 178.8542 77 G 4.0083 8.0200 106.0033 46.1206 0.0000 175.4513 78 L 4.0355 7.3798 119.6309 57.6233 42.0434 177.5797 79 L 4.2530 7.4395 117.9046 53.8472 42.6696 175.1168 80 P 4.6129 0.0000 0.0000 62.5549 32.0782 176.8270 81 F 4.2380 8.7586 119.8854 60.3092 39.5925 176.2738 82 T 4.8630 7.4089 113.0782 62.4949 72.2290 172.9792 83 E 4.8658 8.7966 122.8841 53.9087 32.2050 175.7963 84 K 4.1229 8.7838 122.8907 56.7208 33.3981 176.4385 85 L 4.1804 8.4226 125.2754 54.9882 43.4184 178.3781 86 V 4.0737 8.0623 123.5711 60.6129 31.4657 175.7474 87 R 3.9198 8.4577 125.9246 57.9094 30.4098 176.8135 88 K 4.0291 8.3336 121.4018 57.8431 31.8955 174.4978 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 19 K 8.31 4.11 0.00 1.72 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 20 A 7.29 4.07 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 21 K 8.57 4.34 0.00 1.82 1.82 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.47 7.81 22 V 8.05 3.73 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 1.04 0.00 0.00 23 K 8.34 4.40 0.00 2.15 1.89 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.68 7.81 24 A 7.92 4.19 1.38 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 0.00 0.00 0.00 25 T 7.74 3.99 4.35 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 1.16 0.00 0.00 26 L 6.94 4.74 0.00 1.69 1.47 0.38 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.19 4.10 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 0.00 28 E 8.75 4.10 0.00 1.95 1.89 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 2.25 2.22 0.00 29 F 7.54 4.72 0.00 3.14 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 30 D 8.63 4.58 0.00 2.80 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 31 L 8.29 5.44 0.00 1.91 1.93 0.87 0.50 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 32 R 7.94 4.55 0.00 2.00 1.98 0.00 3.17 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 33 D 7.71 4.45 0.00 2.86 2.74 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 34 Y 7.97 4.67 0.00 3.10 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 35 R 7.79 4.44 0.00 1.67 1.84 0.00 3.08 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.74 0.00 36 N 8.08 4.69 0.00 2.93 3.09 0.00 0.00 6.95 7.55 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 37 V 7.46 3.46 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 38 E 8.08 4.06 0.00 1.85 1.94 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 2.27 2.38 0.00 39 V 7.94 3.30 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 0.56 0.00 0.00 0.83 0.00 0.00 40 L 7.76 4.08 0.00 1.73 1.80 1.04 0.87 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 41 K 8.68 3.76 0.00 1.54 1.93 0.00 1.75 0.00 0.00 1.58 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.42 7.81 42 R 7.60 3.89 0.00 1.47 1.17 0.00 3.03 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 43 F 7.60 4.76 0.00 3.23 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 44 L 7.82 4.34 0.00 1.77 1.66 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.00 3.82 0.00 4.22 4.07 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 0.00 0.00 0.00 0.00 46 E 8.48 4.89 0.00 1.98 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 0.00 2.30 2.26 0.00 47 T 7.66 4.75 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 1.22 0.00 0.00 48 G 8.50 4.03 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 0.00 0.00 0.00 49 K 7.86 3.76 0.00 1.77 1.81 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.45 7.81 50 I 8.27 3.86 1.87 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 1.34 0.73 0.91 0.00 0.00 51 L 8.32 4.18 0.00 1.86 1.68 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.34 0.00 2.12 2.22 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 53 R 8.70 3.85 0.00 1.90 1.96 0.00 3.22 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 54 R 7.68 4.57 0.00 1.83 1.93 0.00 3.34 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 55 R 7.65 4.83 0.00 1.98 1.93 0.00 3.30 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 56 T 7.95 4.02 4.12 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 1.34 0.00 0.00 57 G 8.17 3.63 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 0.00 0.00 0.00 58 L 7.46 4.88 0.00 1.63 1.58 0.78 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.37 4.44 0.00 3.84 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.00 0.00 1.82 1.79 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 7.99 3.96 0.00 2.23 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 63 Q 8.16 3.86 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 64 R 7.65 3.78 0.00 2.18 1.87 0.00 3.19 0.00 0.00 3.21 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 65 I 7.84 3.66 1.88 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 1.75 0.80 0.90 0.00 0.00 66 L 8.11 3.89 0.00 1.67 1.69 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.56 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.34 3.96 0.00 1.91 1.96 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 69 T 8.06 4.17 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 70 I 8.06 3.68 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.96 0.89 0.00 0.00 71 K 8.07 3.71 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.64 7.81 72 R 7.68 3.97 0.00 1.98 1.82 0.00 3.09 0.00 0.00 2.80 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 73 A 7.88 4.07 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.82 4.06 0.00 1.33 1.06 0.00 2.92 0.00 0.00 2.68 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.73 0.00 75 I 7.94 4.36 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.95 0.00 0.00 76 L 7.74 4.24 0.00 1.89 1.74 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.02 4.01 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 0.00 0.00 0.00 78 L 7.38 4.04 0.00 1.69 1.68 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.44 4.25 0.00 1.72 1.51 0.92 1.01 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 80 P 0.00 4.61 0.00 2.05 2.00 0.00 3.63 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 2.01 2.10 0.00 81 F 8.76 4.24 0.00 3.06 3.09 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 0.00 0.00 0.00 0.00 82 T 7.41 4.86 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 83 E 8.80 4.87 0.00 1.93 1.89 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 2.26 2.23 0.00 84 K 8.78 4.12 0.00 1.79 1.87 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 85 L 8.42 4.18 0.00 1.61 1.62 0.92 0.98 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 86 V 8.06 4.07 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 0.72 0.00 0.00 0.93 0.00 0.00 87 R 8.46 3.92 0.00 1.76 1.86 0.00 3.45 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 88 K 8.33 4.03 0.00 1.83 1.70 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.16 1.33 7.81