NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9668 8.3393 109.7350 45.4313 0.0000 173.0957 2 S 4.4267 8.5467 117.0088 56.3049 65.4594 172.9761 3 S 4.3973 8.2707 120.6535 57.0581 65.4310 176.9154 4 G 3.7158 8.3915 116.0104 45.7197 0.0000 171.0810 5 S 4.6479 8.1645 118.8423 57.4071 64.5687 173.4013 6 S 4.4262 8.8445 119.1164 58.3576 66.6272 175.6397 7 G 4.4314 8.9224 109.1092 46.0131 0.0000 172.4541 8 Q 4.1331 7.6206 117.1033 56.1586 30.8898 177.7426 9 K 5.0775 8.5149 118.0291 54.8929 35.7528 176.0093 10 V 4.9184 8.2709 115.2920 59.5223 36.3199 174.3186 11 K 4.8788 9.5152 124.6862 54.6042 34.8650 175.1084 12 T 4.6836 8.2850 118.3191 60.9627 69.5472 175.0984 13 I 3.9638 8.1415 118.5573 61.1943 38.6953 175.4710 14 F 5.3028 7.4700 120.2913 55.1332 42.8650 172.5917 15 P 4.6405 0.0000 0.0000 63.5981 32.4088 175.9327 16 H 4.4875 8.0486 118.7188 56.4912 32.3822 173.1788 17 T 4.3255 8.2748 122.1141 62.3226 69.5428 175.1650 18 A 4.0074 8.1712 126.6204 54.1430 19.3072 177.3643 19 G 3.4986 7.7105 103.4393 45.7092 0.0000 171.4520 20 N 4.8221 8.1909 124.8333 54.1964 38.7953 174.2324 21 N 4.1793 7.8514 112.4620 54.0913 38.8976 174.7520 22 K 4.6408 8.6949 121.1276 56.9421 33.3007 176.7087 23 T 4.7458 7.9524 110.0512 62.1304 71.0940 173.3380 24 L 5.5133 7.9895 121.0628 52.0631 44.6079 175.4604 25 L 4.7131 8.9175 124.3857 54.2300 43.3569 175.6245 26 S 4.8016 8.7032 121.4326 57.0542 64.2094 173.1258 27 F 5.0717 7.6392 118.3835 56.1383 41.7696 172.3865 28 A 5.1436 9.3834 120.0328 49.6001 22.1619 175.7215 29 Q 4.1587 8.2708 120.8071 57.2259 28.8081 175.6520 30 G 4.1351 9.2708 115.7860 45.9979 0.0000 173.9878 31 D 4.4551 8.0493 118.9295 54.8163 42.1106 176.2623 32 V 4.4554 8.1389 120.1646 61.0740 34.5024 174.1752 33 L 4.9255 8.0543 126.3198 53.1283 45.2011 175.5003 34 T 4.6200 8.6635 120.5204 62.3791 69.9697 174.6691 35 L 4.6376 8.9511 127.1481 54.6918 42.5987 177.1441 36 L 4.5429 8.7247 120.1991 55.9416 42.8904 176.9147 37 I 4.4499 7.6461 112.0708 58.4796 39.2038 174.6154 38 P 4.1689 0.0000 0.0000 64.3791 31.6626 175.6530 39 E 4.5560 7.3422 120.1197 54.5663 31.5194 174.1302 40 E 4.9085 8.2160 116.9018 54.2717 32.7830 175.9599 41 K 4.3037 9.3631 124.2654 56.2791 31.0119 176.7959 42 D 4.3219 8.8876 120.8999 55.2363 38.6577 172.8044 43 G 4.8496 8.2659 111.4780 45.6820 0.0000 173.0820 44 W 4.6483 8.1771 118.9854 56.3588 30.5646 175.4452 45 L 5.2084 9.5665 122.7196 53.2110 45.4058 175.1169 46 Y 4.3081 7.9783 122.0129 56.0764 41.4816 174.6213 47 G 4.0522 6.0714 108.7126 46.4759 0.0000 171.1850 48 E 4.7528 8.8926 121.3629 54.3186 32.7371 174.9406 49 H 4.5858 8.7636 126.5672 55.2821 31.3440 174.6356 50 D 4.4383 7.7228 126.0118 54.3417 39.8096 176.2303 51 T 4.7807 7.9592 115.1898 65.0391 76.4400 175.6628 52 T 3.8588 7.4674 115.2317 62.9808 69.3377 175.9417 53 K 4.0725 7.7187 117.8969 56.1652 30.8880 175.6330 54 A 4.7235 7.4402 121.1814 50.6609 21.2905 176.2850 55 R 4.7764 7.9200 118.1214 53.7492 31.7026 175.8047 56 G 4.3916 8.0418 108.7375 44.7128 0.0000 170.2255 57 W 5.4557 8.8318 118.6161 54.9555 31.5916 175.5947 58 F 5.5474 8.8575 118.4916 54.5385 41.6235 172.0945 59 P 4.0565 0.0000 0.0000 61.8792 31.8312 177.3065 60 S 4.0375 8.4818 118.3678 60.4116 62.9241 176.8108 61 S 4.1824 7.9950 114.6792 61.2423 62.4070 173.8871 62 Y 4.6305 9.1815 118.0423 58.1540 37.8535 174.4751 63 T 4.8392 7.8064 109.7452 60.1990 72.3489 172.9178 64 K 4.9020 8.9133 121.6339 54.3277 36.7982 175.6213 65 L 4.3260 8.4155 122.4365 54.6055 42.3434 177.3313 66 L 4.1151 8.3417 123.7526 55.0060 42.6446 177.8810 67 S 4.4708 8.4821 113.8968 54.5480 62.9348 174.0376 68 G 4.0177 8.2574 109.7317 43.6921 0.0000 169.8477 69 P 4.5900 0.0000 0.0000 62.5408 33.1298 176.8555 70 S 4.6258 7.9544 109.2476 57.4954 62.8211 172.8625 71 S 4.5127 7.8208 117.1659 57.0410 64.6486 175.5340 72 G 3.7443 8.3671 111.2695 46.5273 0.0000 173.0602 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 G 8.34 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 0.00 0.00 0.00 2 S 8.55 4.43 0.00 4.00 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 3 S 8.27 4.40 0.00 3.81 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 4 G 8.39 3.72 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 0.00 0.00 0.00 5 S 8.16 4.65 0.00 3.83 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 6 S 8.84 4.43 0.00 3.80 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 7 G 8.92 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.62 4.13 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 9 K 8.51 5.08 0.00 1.62 1.59 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.39 7.81 10 V 8.27 4.92 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 0.80 0.00 0.00 0.75 0.00 0.00 11 K 9.52 4.88 0.00 1.48 1.49 0.00 1.53 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.16 1.20 7.81 12 T 8.29 4.68 4.39 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 0.00 0.00 0.00 0.27 0.00 0.00 13 I 8.14 3.96 1.03 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.36 0.63 0.00 0.00 14 F 7.47 5.30 0.00 2.41 2.50 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 15 P 0.00 4.64 0.00 2.13 2.13 0.00 3.92 0.00 0.00 3.74 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 16 H 8.05 4.49 0.00 3.76 3.20 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.27 4.33 4.17 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 0.00 0.00 0.00 1.19 0.00 0.00 18 A 8.17 4.01 1.36 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 0.00 0.00 0.00 19 G 7.71 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 20 N 8.19 4.82 0.00 2.89 3.03 0.00 0.00 7.28 7.79 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 21 N 7.85 4.18 0.00 2.74 2.82 0.00 0.00 6.79 7.60 0.00 0.00 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 8.69 4.64 0.00 1.89 1.90 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.38 7.81 23 T 7.95 4.75 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 1.23 0.00 0.00 24 L 7.99 5.51 0.00 1.64 1.86 1.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.92 4.71 0.00 1.85 2.09 1.03 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.70 4.80 0.00 3.86 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 27 F 7.64 5.07 0.00 3.16 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 28 A 9.38 5.14 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 29 Q 8.27 4.16 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 5.95 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 30 G 9.27 4.14 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 0.00 0.00 0.00 31 D 8.05 4.46 0.00 2.59 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 0.00 0.00 0.00 0.00 32 V 8.14 4.46 1.97 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 0.85 0.00 0.00 0.90 0.00 0.00 33 L 8.05 4.93 0.00 1.18 1.30 -0.37 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.66 4.62 4.19 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 1.23 0.00 0.00 35 L 8.95 4.64 0.00 1.78 1.64 0.95 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.72 4.54 0.00 1.62 1.73 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.65 4.45 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.12 0.95 0.00 0.00 38 P 0.00 4.17 0.00 2.23 2.24 0.00 3.79 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 39 E 7.34 4.56 0.00 2.07 1.97 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 2.29 2.31 0.00 40 E 8.22 4.91 0.00 2.43 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 2.32 0.00 41 K 9.36 4.30 0.00 1.44 1.51 0.00 1.48 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.65 1.10 7.81 42 D 8.89 4.32 0.00 2.86 2.75 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 43 G 8.27 4.85 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 0.00 0.00 0.00 44 W 8.18 4.65 0.00 3.38 3.36 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 0.00 45 L 9.57 5.21 0.00 1.38 1.43 1.05 0.79 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 46 Y 7.98 4.31 0.00 1.98 2.41 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 47 G 6.07 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 48 E 8.89 4.75 0.00 1.83 1.70 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 2.15 2.16 0.00 49 H 8.76 4.59 0.00 3.36 3.16 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.72 4.44 0.00 2.86 2.59 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 51 T 7.96 4.78 4.14 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 1.22 0.00 0.00 52 T 7.47 3.86 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 1.11 0.00 0.00 53 K 7.72 4.07 0.00 2.02 2.06 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.51 7.81 54 A 7.44 4.72 1.23 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 0.00 0.00 0.00 55 R 7.92 4.78 0.00 1.48 1.07 0.00 3.19 0.00 0.00 3.15 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.31 0.00 56 G 8.04 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 8.83 5.46 0.00 3.57 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.86 5.55 0.00 3.32 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.06 0.00 1.67 0.51 0.00 3.62 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.44 0.00 60 S 8.48 4.04 0.00 4.13 4.39 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 0.00 0.00 0.00 0.00 61 S 8.00 4.18 0.00 3.88 4.14 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 62 Y 9.18 4.63 0.00 3.19 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.84 4.09 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 0.77 0.00 0.00 64 K 8.91 4.90 0.00 1.52 1.61 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.21 7.81 65 L 8.42 4.33 0.00 1.51 1.59 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.34 4.12 0.00 1.50 1.61 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.48 4.47 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.18 2.10 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 1.97 1.94 0.00 70 S 7.95 4.63 0.00 3.77 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.51 0.00 4.01 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 72 G 8.37 3.74 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 0.00 0.00 0.00