NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2273 8.2649 123.5781 52.1380 19.7981 178.1017 3 K 4.1659 7.4524 125.8036 53.4851 30.8712 174.7968 4 H 3.9424 7.4672 118.0579 57.7067 30.5714 173.0866 5 P 4.9029 0.0000 0.0000 60.9254 33.0468 174.7169 6 V 4.4648 8.0921 121.0288 60.5583 34.6818 171.7581 7 P 4.2231 0.0000 0.0000 61.2232 33.1748 177.0339 8 K 4.5691 8.0838 117.9398 52.7472 33.7489 172.8924 9 K 3.7988 8.5806 115.2479 54.0675 33.0099 174.9734 10 K 3.6993 8.7940 126.2861 56.9532 31.9975 175.8447 11 T 3.8283 8.2017 122.7930 63.7739 69.2173 174.0397 12 S 4.3985 8.3637 118.6756 56.7941 62.1345 177.0192 13 K 4.1089 8.3112 122.9987 54.0384 36.2133 179.1575 14 S 4.0039 7.8563 106.5433 57.4459 69.3122 177.1372 15 K 4.0351 9.0908 112.9675 55.3630 32.4405 179.1882 16 R 2.9406 8.4860 112.1810 55.5451 31.1245 178.1056 17 D 4.3833 6.6171 123.5607 58.7947 40.6284 178.5894 18 M 3.9110 9.0264 119.3182 57.2138 31.9307 179.1470 19 R 3.3445 8.7735 108.8383 58.8280 30.9037 178.3167 20 R 3.3677 8.5345 117.4018 57.8087 31.6353 174.3888 21 S 4.2849 12.0000 113.7513 61.6534 63.5938 175.9799 22 H 4.1007 7.5217 120.6692 58.3005 29.6266 174.8377 23 H 4.3780 8.0178 115.2318 54.8989 29.1301 174.0940 24 A 4.8617 7.6792 126.7460 52.0303 20.3185 177.0507 25 L 4.5847 7.4468 120.5450 55.9256 43.9448 176.6781 26 T 4.1080 8.4361 104.9186 61.8543 69.1461 171.6977 27 A 3.8693 8.4996 129.9119 50.6530 19.7079 175.3878 28 P 4.2374 0.0000 0.0000 63.5064 31.3431 177.0267 29 N 4.3850 9.2519 118.7449 55.8443 38.7614 175.0034 30 L 3.5806 6.6700 115.8159 50.8528 44.1923 176.4460 31 T 4.7422 7.5603 116.4823 61.9894 69.5009 175.1044 32 E 4.9919 8.8538 116.5440 54.3583 33.4384 173.4036 33 C 3.7950 9.6464 121.2223 59.0736 28.9062 173.0708 34 P 4.3059 0.0000 0.0000 65.7884 31.5687 177.3151 35 Q 4.3639 7.5058 114.9779 55.9850 33.4786 176.0854 36 C 3.9091 8.1294 114.3188 58.7264 40.3063 171.7274 37 H 3.8254 7.9858 115.9176 58.3887 26.4079 174.7225 38 G 3.8998 7.4598 111.2617 44.1191 0.0000 169.8226 39 K 4.7856 8.1349 119.7748 54.5224 33.9107 175.8218 40 K 4.6490 8.1770 121.8715 54.1434 36.0170 176.3768 41 L 4.3389 8.5269 119.6438 58.8590 39.5086 179.7557 42 S 3.6886 7.6683 105.7186 61.9850 61.2960 171.9449 43 H 4.4629 8.5114 125.1845 56.4367 26.7804 174.9333 44 H 6.3000 7.8487 115.7865 52.8037 32.9213 175.2056 45 I 3.7495 8.9533 114.6613 63.0349 38.2226 174.4587 46 C 5.0107 8.4507 117.8391 59.5190 30.4088 172.5553 47 P 4.3707 0.0000 0.0000 64.3534 30.5598 176.4741 48 N 5.0528 7.8637 114.6127 53.4207 42.3330 175.5307 49 C 4.7152 9.4459 110.3578 55.4836 39.8586 176.0013 50 G 4.1485 9.5014 122.0774 47.2229 0.0000 173.5893 51 Y 4.7120 7.6282 119.9700 56.6152 35.6668 175.5954 52 Y 4.2921 10.4681 135.0000 57.9589 35.6846 169.2263 53 D 4.8001 7.6438 118.1909 54.6448 47.3800 176.1641 54 G 4.0768 7.8056 106.6175 43.4282 0.0000 173.8673 55 R 4.2674 8.1419 122.2372 55.8535 28.3495 178.8198 56 Q 4.4448 7.9079 120.6698 52.5156 28.4600 176.7873 57 V 4.3816 7.0262 120.6528 63.4537 37.1176 168.9979 58 L 4.2660 8.3092 122.0369 53.9806 45.1432 175.4008 59 A 4.1183 9.0414 130.4555 52.8082 18.7477 176.9355 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 2 A 8.26 4.23 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 3 K 7.45 4.17 0.00 1.83 1.78 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 H 7.47 3.94 0.00 3.12 3.33 0.00 5.86 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 5 P 0.00 4.90 0.00 2.16 2.04 0.00 3.77 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 1.91 1.93 0.00 6 V 8.09 4.46 2.09 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 0.83 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.22 0.00 2.09 1.97 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 8 K 8.08 4.57 0.00 1.69 1.70 0.00 1.54 0.00 0.00 1.51 0.00 0.00 2.13 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.35 1.41 7.81 9 K 8.58 3.80 0.00 1.83 2.01 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.20 7.81 10 K 8.79 3.70 0.00 1.69 1.79 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.56 7.81 11 T 8.20 3.83 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 1.21 0.00 0.00 12 S 8.36 4.40 0.00 3.82 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 13 K 8.31 4.11 0.00 1.83 1.67 0.00 1.80 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.41 7.81 14 S 7.86 4.00 0.00 4.10 3.23 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 15 K 9.09 4.04 0.00 1.97 1.70 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.58 7.81 16 R 8.49 2.94 0.00 1.96 1.75 0.00 3.16 0.00 0.00 3.16 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 17 D 6.62 4.38 0.00 2.73 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 18 M 9.03 3.91 0.00 1.97 2.11 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 2.64 2.90 0.00 19 R 8.77 3.34 0.00 1.87 1.85 0.00 3.12 0.00 0.00 3.10 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 20 R 8.53 3.37 0.00 1.81 1.86 0.00 3.24 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 21 S 12.00 4.28 0.00 3.88 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 22 H 7.52 4.10 0.00 3.29 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.02 4.38 0.00 3.21 3.27 0.00 6.05 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.68 4.86 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 25 L 7.45 4.58 0.00 1.65 1.66 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.44 4.11 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 1.21 0.00 0.00 27 A 8.50 3.87 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 28 P 0.00 4.24 0.00 2.23 2.23 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 29 N 9.25 4.39 0.00 2.75 2.93 0.00 0.00 7.22 7.85 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 30 L 6.67 3.58 0.00 1.77 1.96 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.56 4.74 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 1.20 0.00 0.00 32 E 8.85 4.99 0.00 1.82 1.76 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 0.00 2.20 2.33 0.00 33 C 9.65 3.79 0.00 2.92 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.31 0.00 2.10 2.03 0.00 3.71 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.77 0.00 35 Q 7.51 4.36 0.00 1.87 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.88 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 36 C 8.13 3.91 0.00 2.90 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 37 H 7.99 3.83 0.00 3.32 3.25 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 7.46 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 0.00 0.00 0.00 39 K 8.13 4.79 0.00 1.72 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.49 7.81 40 K 8.18 4.65 0.00 1.72 1.66 0.00 1.56 0.00 0.00 2.06 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.37 7.81 41 L 8.53 4.34 0.00 1.72 1.63 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 42 S 7.67 3.69 0.00 4.20 4.37 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.46 0.00 3.39 3.91 0.00 5.84 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.85 6.30 0.00 3.16 3.35 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.95 3.75 2.10 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 1.21 0.00 0.00 46 C 8.45 5.01 0.00 3.09 2.96 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 47 P 0.00 4.37 0.00 2.18 2.19 0.00 3.73 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 2.01 2.03 0.00 48 N 7.86 5.05 0.00 2.65 2.81 0.00 0.00 6.96 7.66 0.00 0.00 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 C 9.45 4.72 0.00 3.02 2.29 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 50 G 9.50 4.15 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 0.00 0.00 0.00 51 Y 7.63 4.71 0.00 2.87 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 0.00 0.00 0.00 52 Y 10.47 4.29 0.00 3.17 3.29 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 53 D 7.64 4.80 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 54 G 7.81 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 0.00 0.00 0.00 55 R 8.14 4.27 0.00 1.67 1.83 0.00 3.08 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.13 0.00 56 Q 7.91 4.44 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 57 V 7.03 4.38 2.15 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 0.77 0.00 0.00 1.02 0.00 0.00 58 L 8.31 4.27 0.00 1.64 1.08 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.04 4.12 1.35 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 0.00 0.00