NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.2960 7.8827 121.4013 61.4440 39.5078 173.7749 2 V 4.3226 8.3174 123.5209 61.5577 33.7871 172.1146 3 C 4.9529 9.2708 122.1766 56.1905 47.8815 172.3931 4 H 5.2113 8.7931 122.2595 55.1421 30.7978 173.6292 5 T 4.8165 8.7670 112.1912 62.7524 71.6714 172.1086 6 T 4.6940 8.0209 115.2647 60.6771 69.8548 172.8003 7 A 4.6338 8.2457 129.0345 53.7957 26.3000 177.0502 8 T 4.3605 7.5751 116.1114 62.2000 66.9532 174.6382 9 S 4.1939 8.5600 113.6159 60.0474 63.5176 173.4912 10 P 4.8574 0.0000 0.0000 61.2376 33.7950 174.5425 11 I 3.9369 8.1470 118.9248 62.1288 37.6271 176.0986 12 S 4.8214 9.3579 121.3730 57.3865 65.5627 173.3477 13 A 5.0974 8.2436 122.8705 51.1996 21.7034 175.7520 14 V 4.5610 9.0721 115.3326 60.4042 36.9090 174.5435 15 T 4.7602 8.3633 118.2283 62.7415 70.0469 175.7477 16 C 4.5480 8.4071 123.3245 55.4323 40.0255 172.1103 17 P 4.3154 0.0000 0.0000 64.8755 31.3371 175.9934 18 P 4.5962 0.0000 0.0000 62.0953 32.6600 175.6553 19 G 3.6117 8.6092 106.1090 48.6183 0.0000 173.7457 20 E 4.2274 8.0005 117.4580 56.0013 28.1662 175.7670 21 N 4.9638 8.2986 120.2047 52.8228 40.5439 174.9480 22 L 4.3273 7.9462 120.2596 55.0026 43.1865 175.4519 23 C 5.2389 9.5419 122.2649 55.8121 38.2063 172.4826 24 Y 5.6254 8.4661 122.8989 55.1885 40.3812 174.8024 25 R 4.6684 8.5388 121.7138 54.3579 30.7223 173.3235 26 K 4.9876 8.8775 125.0127 56.2315 34.2383 175.2634 27 M 5.6671 9.1135 125.1597 55.0789 37.0657 173.6361 28 W 4.9952 7.8800 121.0910 55.6594 32.0990 173.2526 29 C 5.1183 9.6801 120.0610 55.6951 41.6559 175.0542 30 D 4.7246 8.8633 125.6137 52.1477 41.0705 173.6171 31 A 4.1234 8.8201 125.4403 51.7645 17.4117 180.5996 32 F 4.4424 7.9639 116.3565 61.4986 39.7526 176.9944 33 C 4.4000 8.3803 117.2559 59.3014 39.6979 173.7435 34 S 4.4153 7.3353 113.3548 58.9855 62.9698 173.9468 35 S 4.6219 9.7379 115.4097 59.7596 67.1571 175.5209 36 R 3.9231 8.2267 119.9841 56.4274 29.2239 178.0591 37 G 4.0126 5.9401 110.4610 45.9096 0.0000 173.0355 38 K 4.5129 7.9119 119.0434 55.9133 33.0489 177.7257 39 V 3.5824 7.7210 123.5853 62.4935 32.9110 175.1017 40 V 4.7659 7.6710 124.9706 61.1149 34.4317 173.9530 41 E 4.9234 8.9621 125.4765 53.4639 32.5264 174.5586 42 L 4.5475 8.4720 124.5067 53.4233 44.0673 175.9590 43 G 4.0511 7.2035 108.9311 45.9905 0.0000 170.3996 44 C 5.7609 8.8937 119.2917 54.8217 40.5145 172.5997 45 A 4.9274 9.7779 127.1854 50.4373 22.3128 175.6833 46 A 4.4673 8.7515 118.5606 52.6263 21.5827 176.6346 47 T 4.4812 7.4660 108.6135 60.7910 67.3796 174.5837 48 C 3.8016 8.1836 122.4555 55.7845 43.5036 171.3382 49 P 4.4585 0.0000 0.0000 62.1689 32.3268 175.5561 50 S 4.5636 8.3138 114.2047 57.9358 63.8876 174.1993 51 K 4.4550 8.4760 122.7339 56.7078 32.8252 178.3383 52 K 3.9222 8.3158 122.4630 59.8743 32.4005 176.5352 53 P 4.3717 0.0000 0.0000 64.3315 31.2671 176.4670 54 Y 5.0928 7.4940 119.7532 57.1166 40.9935 172.0540 55 E 4.7619 8.2990 118.1068 55.2987 33.8325 173.5956 56 E 4.9334 9.0018 121.0143 55.3813 33.8983 176.6087 57 V 4.9513 7.9161 116.9180 62.3159 33.7650 172.3288 58 T 4.4194 8.3345 123.7631 62.1886 69.8680 174.7440 59 C 4.9664 8.7934 125.6616 56.0810 37.0367 172.3221 60 C 5.3038 8.9972 118.2817 52.7910 45.1807 174.2310 61 S 4.8235 8.3836 112.9244 58.1199 63.1420 173.6685 62 T 4.6624 7.3250 108.9898 60.1402 72.0576 172.8269 63 D 4.5070 9.1131 121.6129 56.6419 41.4876 178.2762 64 K 3.8957 8.3311 125.8525 58.0948 31.7002 172.2256 65 C 4.6283 8.1237 111.8946 56.1876 42.8201 174.7196 66 N 4.8024 7.6930 117.1048 51.3840 36.1878 171.6931 67 P 4.5666 0.0000 0.0000 62.8010 33.3163 176.0458 68 H 4.4181 8.3030 115.8317 54.6683 29.3745 173.7737 69 P 4.4658 0.0000 0.0000 65.3309 32.0529 177.8366 70 K 3.9648 7.9019 119.4522 57.4776 32.3280 177.0645 71 Q 4.4127 7.6157 117.6055 55.1337 29.2846 174.0417 72 R 4.4920 8.1222 132.0619 56.6486 32.4665 173.7030 73 P 4.6475 0.0000 0.0000 62.0510 31.2284 175.8714 74 G 3.7045 7.7798 111.0847 46.7776 0.0000 173.1088 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 I 7.88 4.30 1.87 0.00 0.00 0.86 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 0.91 0.97 0.00 0.00 2 V 8.32 4.32 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 0.89 0.00 0.00 0.98 0.00 0.00 3 C 9.27 4.95 0.00 3.01 2.89 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 4 H 8.79 5.21 0.00 3.33 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.77 4.82 4.21 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 1.24 0.00 0.00 6 T 8.02 4.69 4.22 0.00 0.00 0.00 0.00 0.00 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 7 A 8.25 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.58 4.36 4.24 0.00 0.00 0.00 0.00 0.00 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 9 S 8.56 4.19 0.00 3.89 3.85 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 0.00 0.00 0.00 0.00 10 P 0.00 4.86 0.00 2.14 2.06 0.00 3.76 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 1.90 1.95 0.00 11 I 8.15 3.94 1.79 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 1.30 0.46 0.89 0.00 0.00 12 S 9.36 4.82 0.00 3.85 3.97 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 13 A 8.24 5.10 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 14 V 9.07 4.56 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 0.98 0.00 0.00 0.93 0.00 0.00 15 T 8.36 4.76 4.24 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 16 C 8.41 4.55 0.00 3.02 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.04 2.11 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 18 P 0.00 4.60 0.00 2.18 2.11 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 19 G 8.61 3.61 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 0.00 0.00 0.00 20 E 8.00 4.23 0.00 2.22 2.04 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 2.30 2.36 0.00 21 N 8.30 4.96 0.00 2.70 2.84 0.00 0.00 7.15 7.83 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 22 L 7.95 4.33 0.00 1.92 1.67 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.54 5.24 0.00 2.80 3.07 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 24 Y 8.47 5.63 0.00 3.07 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 25 R 8.54 4.67 0.00 1.85 1.90 0.00 3.12 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 26 K 8.88 4.99 0.00 2.28 2.16 0.00 1.77 0.00 0.00 2.04 0.00 0.00 3.31 0.00 0.00 2.92 0.00 0.00 0.00 0.00 2.26 1.91 7.81 27 M 9.11 5.67 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.21 0.00 28 W 7.88 5.00 0.00 3.49 3.55 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 29 C 9.68 5.12 0.00 3.24 3.27 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 30 D 8.86 4.72 0.00 2.71 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 4.12 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 0.00 0.00 0.00 0.00 0.00 32 F 7.96 4.44 0.00 2.95 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 33 C 8.38 4.40 0.00 3.12 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 34 S 7.34 4.42 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.74 4.62 0.00 3.81 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 36 R 8.23 3.92 0.00 1.87 1.82 0.00 3.27 0.00 0.00 3.24 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 37 G 5.94 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 38 K 7.91 4.51 0.00 1.44 1.58 0.00 2.09 0.00 0.00 1.73 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.51 7.81 39 V 7.72 3.58 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 0.79 0.00 0.00 40 V 7.67 4.77 2.03 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 0.64 0.00 0.00 0.82 0.00 0.00 41 E 8.96 4.92 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 42 L 8.47 4.55 0.00 1.53 1.48 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.20 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.89 5.76 0.00 2.96 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 45 A 9.78 4.93 1.21 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 0.00 0.00 46 A 8.75 4.47 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 47 T 7.47 4.48 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 1.18 0.00 0.00 48 C 8.18 3.80 0.00 2.99 3.10 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 49 P 0.00 4.46 0.00 2.18 2.04 0.00 3.67 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 1.90 1.89 0.00 50 S 8.31 4.56 0.00 3.88 3.83 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 51 K 8.48 4.46 0.00 2.16 2.05 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.50 7.81 52 K 8.32 3.92 0.00 1.75 1.90 0.00 1.84 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.42 7.81 53 P 0.00 4.37 0.00 2.12 2.11 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 54 Y 7.49 5.09 0.00 2.88 2.89 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 55 E 8.30 4.76 0.00 2.04 2.27 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 2.51 2.39 0.00 56 E 9.00 4.93 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 57 V 7.92 4.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.05 0.00 0.00 58 T 8.33 4.42 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 59 C 8.79 4.97 0.00 2.89 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 60 C 9.00 5.30 0.00 2.95 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 61 S 8.38 4.82 0.00 3.96 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 62 T 7.32 4.66 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 1.21 0.00 0.00 63 D 9.11 4.51 0.00 2.66 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 3.90 0.00 1.41 1.67 0.00 1.59 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.27 1.29 7.81 65 C 8.12 4.63 0.00 3.13 3.26 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 66 N 7.69 4.80 0.00 2.72 2.79 0.00 0.00 6.05 7.94 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 67 P 0.00 4.57 0.00 2.19 2.12 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 68 H 8.30 4.42 0.00 3.08 3.31 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.47 0.00 2.10 2.08 0.00 3.48 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.99 0.00 70 K 7.90 3.96 0.00 1.70 1.85 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.30 7.81 71 Q 7.62 4.41 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 72 R 8.12 4.49 0.00 1.73 1.96 0.00 3.22 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.39 0.00 73 P 0.00 4.65 0.00 2.20 2.08 0.00 3.80 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 1.93 1.94 0.00 74 G 7.78 3.70 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 0.00 0.00 0.00