NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 Y 4.6633 8.0033 121.7002 57.7965 39.6525 174.3157 12 Q 4.0698 7.8748 126.3174 55.8908 30.0847 173.8349 13 T 3.8815 6.9070 111.6671 60.1980 71.2197 172.6582 14 A 3.8778 8.4753 127.7831 52.0872 18.4590 176.2099 15 P 4.6753 0.0000 0.0000 61.4326 32.7510 175.6851 16 F 4.2405 8.7475 120.8277 58.2938 39.8137 173.5357 17 D 4.6985 7.6395 126.7435 51.9723 42.4292 176.2094 18 S 3.9921 8.6446 122.6852 61.3940 62.7586 175.6039 19 R 3.9872 7.4797 114.1689 56.8389 29.8438 176.7996 20 F 4.9729 8.1336 117.3636 55.9010 39.5704 172.6126 21 P 4.8640 0.0000 0.0000 63.0257 32.3982 175.9750 22 N 5.1317 7.7726 116.3560 50.9820 41.6707 174.7275 23 Q 3.8410 8.7361 120.0008 58.8951 28.9429 176.3033 24 N 4.7578 7.8325 116.5358 52.7307 39.2266 174.8306 25 Q 4.5371 8.5415 123.7500 55.7146 29.5273 177.1900 26 T 4.1950 7.9994 118.5253 67.3317 68.4537 176.0747 27 R 4.1426 8.1077 118.9484 58.9985 30.0589 178.3744 28 N 3.1400 7.7398 117.0735 56.2856 38.9045 175.9437 29 C 4.3261 8.1294 119.0909 59.5265 42.2007 174.7674 30 W 4.3329 8.5837 129.9010 60.7674 30.2750 177.2395 31 Q 3.8230 9.1080 120.2919 59.6844 28.4315 178.5453 32 N 4.4816 8.0602 116.7574 56.3781 38.4027 176.8335 33 Y 3.5899 7.9985 120.9543 60.5438 38.7556 177.9309 34 L 3.6999 7.6674 119.8976 57.5220 41.6302 178.8226 35 D 4.1410 8.2412 119.0456 57.6806 40.7916 178.9710 36 F 4.3308 8.3217 120.7384 62.1052 39.5000 176.8778 37 H 3.7393 7.9159 115.4385 58.5288 28.3783 178.2047 38 R 3.8294 8.0287 120.5855 59.0852 29.8503 178.1202 39 C 4.2018 8.3199 118.6784 59.5114 41.1491 174.7829 40 E 3.6264 8.1297 121.2092 59.3749 28.9740 178.5215 41 K 3.7057 7.7385 118.8134 59.6150 31.8998 178.4184 42 A 3.9113 7.4871 119.1390 55.6132 18.5242 179.2797 43 M 4.0704 7.9755 115.8167 58.8832 32.2853 178.9311 44 T 4.0280 7.9077 116.1232 65.7651 69.8583 174.9898 45 A 4.4905 8.0243 124.9239 49.2061 17.0938 176.2771 46 K 4.4188 7.9894 130.2620 54.5723 35.2320 174.8791 47 G 3.7542 7.7391 108.7893 42.6395 0.0000 173.5849 48 G 4.1556 9.1837 105.2208 46.2026 0.0000 173.1030 49 D 4.7052 8.2156 113.2924 56.5125 38.1206 174.5161 50 V 3.5371 7.7746 108.2689 61.4585 29.9171 174.5404 51 S 4.2810 7.1640 112.5852 58.9470 63.3608 174.2884 52 V 4.4449 7.9230 113.7550 59.9871 34.2615 175.8630 53 C 4.7034 8.6344 121.5344 54.5337 41.0447 173.8275 54 E 4.0142 8.1147 125.3972 59.4573 29.8846 177.0349 55 W 4.3010 8.2322 128.2150 61.1306 30.5472 177.2866 56 Y 4.4041 7.7972 115.6690 61.3011 37.4040 178.6535 57 R 3.1110 7.3395 116.9594 58.7108 30.0869 178.7996 58 R 3.3408 7.5410 118.2613 58.9689 29.9302 178.8930 59 V 3.5106 7.2576 119.3770 65.5954 31.5676 177.5223 60 Y 4.3710 8.1921 117.4396 60.2659 37.3543 178.7249 61 K 3.9291 7.2291 119.4994 59.0604 32.1388 179.2879 62 S 4.2149 7.5829 114.2737 61.7768 62.9444 176.4237 63 L 4.1785 7.6702 120.1738 56.3750 41.7520 177.1999 64 C 4.3868 7.8005 116.9635 55.2205 36.3409 171.9197 65 P 4.2136 0.0000 0.0000 62.3119 31.7609 176.8221 66 I 3.5524 8.3142 122.1143 65.2881 37.0147 178.3385 67 S 4.2676 8.1164 114.8628 61.6532 62.5564 177.1371 68 W 3.6201 7.8777 121.1877 59.4510 28.7902 178.4657 69 V 3.4252 7.4581 117.5582 66.6101 30.8239 177.4286 70 S 4.1480 8.5101 114.9420 62.2461 62.6046 176.6912 71 T 3.9177 8.1084 111.8100 65.0020 68.3265 176.3442 72 W 4.7000 8.4821 121.9166 59.7105 29.0438 178.0076 73 D 4.4757 8.8430 119.2491 57.7437 40.2786 178.6362 74 D 4.4340 8.4189 119.2259 57.6073 40.7567 179.1916 75 R 4.0571 8.4662 118.6761 59.5757 29.9366 179.4259 76 R 3.9555 8.4242 116.7829 58.9616 30.1366 178.7807 77 A 4.1591 8.2335 121.3852 55.0619 18.3573 178.9757 78 E 4.1755 8.3990 113.6230 56.6294 29.9679 177.1884 79 G 3.9167 7.5736 107.6607 47.1645 0.0000 174.1649 80 T 4.4798 8.1921 107.2860 60.7771 68.9275 173.6561 81 F 4.4640 8.2289 124.9807 57.3963 39.3803 173.7232 82 P 4.2137 0.0000 0.0000 64.5802 31.4374 176.8616 83 G 3.7765 6.2204 107.5547 44.5836 0.0000 173.3433 84 K 4.3984 8.4428 120.4037 55.0137 32.4878 177.1301 85 I 4.0452 8.2997 124.0382 61.3166 37.4351 175.7774 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 11 Y 8.00 4.66 0.00 3.12 2.90 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 0.00 0.00 0.00 12 Q 7.87 4.07 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 13 T 6.91 3.88 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 1.10 0.00 0.00 14 A 8.48 3.88 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 15 P 0.00 4.68 0.00 2.37 2.24 0.00 3.98 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 16 F 8.75 4.24 0.00 3.05 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 17 D 7.64 4.70 0.00 2.76 2.63 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 18 S 8.64 3.99 0.00 4.07 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 19 R 7.48 3.99 0.00 1.38 1.82 0.00 2.89 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.00 20 F 8.13 4.97 0.00 2.92 2.90 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 0.00 0.00 0.00 21 P 0.00 4.86 0.00 2.37 2.37 0.00 3.77 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 2.04 0.00 22 N 7.77 5.13 0.00 2.82 2.82 0.00 0.00 6.68 7.41 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 23 Q 8.74 3.84 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 24 N 7.83 4.76 0.00 2.74 2.80 0.00 0.00 7.10 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.54 4.54 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 26 T 8.00 4.20 4.34 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 0.00 0.00 0.00 1.34 0.00 0.00 27 R 8.11 4.14 0.00 2.03 2.36 0.00 3.58 0.00 0.00 3.63 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 28 N 7.74 3.14 0.00 2.22 2.65 0.00 0.00 6.78 7.21 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 29 C 8.13 4.33 0.00 3.17 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 30 W 8.58 4.33 0.00 3.51 3.35 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 31 Q 9.11 3.82 0.00 2.48 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.57 0.00 0.00 0.00 0.00 0.00 2.67 2.75 0.00 32 N 8.06 4.48 0.00 3.00 3.08 0.00 0.00 6.76 8.76 0.00 0.00 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 Y 8.00 3.59 0.00 2.99 2.80 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 0.00 0.00 0.00 0.00 34 L 7.67 3.70 0.00 1.56 1.42 0.59 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.24 4.14 0.00 2.31 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.33 0.00 3.36 3.31 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 37 H 7.92 3.74 0.00 2.81 3.06 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.03 3.83 0.00 1.85 1.88 0.00 3.06 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 39 C 8.32 4.20 0.00 3.06 3.25 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 40 E 8.13 3.63 0.00 1.16 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 41 K 7.74 3.71 0.00 1.95 1.73 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.42 7.81 42 A 7.49 3.91 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 43 M 7.98 4.07 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.93 0.00 44 T 7.91 4.03 4.42 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 1.19 0.00 0.00 45 A 8.02 4.49 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 46 K 7.99 4.42 0.00 1.70 1.94 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.16 1.22 7.81 47 G 7.74 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.18 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 49 D 8.22 4.71 0.00 2.85 2.80 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 0.00 0.00 0.00 0.00 50 V 7.77 3.54 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 0.64 0.00 0.00 0.93 0.00 0.00 51 S 7.16 4.28 0.00 4.11 3.90 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 0.00 0.00 0.00 52 V 7.92 4.44 2.14 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 0.84 0.00 0.00 0.95 0.00 0.00 53 C 8.63 4.70 0.00 3.44 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 54 E 8.11 4.01 0.00 2.12 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 2.31 2.29 0.00 55 W 8.23 4.30 0.00 3.28 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 56 Y 7.80 4.40 0.00 3.40 3.34 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 0.00 0.00 0.00 0.00 57 R 7.34 3.11 0.00 0.67 1.37 0.00 2.53 0.00 0.00 2.43 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.50 0.00 58 R 7.54 3.34 0.00 1.11 0.66 0.00 2.91 0.00 0.00 2.76 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.09 0.00 59 V 7.26 3.51 1.87 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 1.12 0.00 0.00 0.28 0.00 0.00 60 Y 8.19 4.37 0.00 3.32 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 61 K 7.23 3.93 0.00 1.64 1.67 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.91 1.29 7.81 62 S 7.58 4.21 0.00 4.01 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 63 L 7.67 4.18 0.00 1.67 1.71 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.80 4.39 0.00 3.19 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 65 P 0.00 4.21 0.00 1.65 1.62 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 66 I 8.31 3.55 1.80 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.32 0.88 0.00 0.00 67 S 8.12 4.27 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 68 W 7.88 3.62 0.00 2.87 1.74 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 69 V 7.46 3.43 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 1.13 0.00 0.00 70 S 8.51 4.15 0.00 3.97 3.90 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 0.00 0.00 0.00 71 T 8.11 3.92 4.30 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 1.25 0.00 0.00 72 W 8.48 4.70 0.00 3.34 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 D 8.84 4.48 0.00 2.96 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.43 0.00 3.04 2.80 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 0.00 0.00 0.00 0.00 75 R 8.47 4.06 0.00 2.55 2.45 0.00 3.31 0.00 0.00 3.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 76 R 8.42 3.96 0.00 1.86 1.89 0.00 2.72 0.00 0.00 2.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.06 0.00 77 A 8.23 4.16 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 78 E 8.40 4.18 0.00 2.16 2.12 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 2.58 2.46 0.00 79 G 7.57 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 0.00 0.00 0.00 80 T 8.19 4.48 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 81 F 8.23 4.46 0.00 3.00 3.08 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 82 P 0.00 4.21 0.00 1.97 1.99 0.00 3.24 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 1.39 1.67 0.00 83 G 6.22 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.44 4.40 0.00 1.75 1.79 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.52 7.81 85 I 8.30 4.05 1.85 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.80 0.00 0.00