NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3399 8.2644 123.5828 51.2780 20.3806 176.0456 3 K 4.2734 8.0309 120.8640 57.5585 35.7440 172.8152 4 H 3.3877 8.7994 112.1488 57.7869 31.2961 174.9069 5 P 4.4845 0.0000 0.0000 62.5878 32.6867 176.8672 6 V 4.5583 7.9112 120.0953 58.9095 34.4889 173.0152 7 P 4.3628 0.0000 0.0000 62.9871 31.6644 176.2979 8 K 4.2621 8.5011 121.0900 57.7647 32.8641 176.8087 9 K 4.5747 7.5568 116.1758 54.1772 36.0109 175.4930 10 K 3.8940 8.6245 124.2869 56.5044 32.3451 176.4129 11 T 3.8490 8.6089 123.7130 63.7322 68.8282 174.6155 12 S 4.2055 8.7476 121.8459 58.7079 64.6996 175.4954 13 K 3.9023 8.6785 122.3265 60.2879 31.7888 178.5231 14 A 3.9068 8.1900 119.9185 55.6146 18.2485 179.0939 15 R 3.8585 8.3857 115.9249 58.9111 30.0485 179.3100 16 R 3.8393 7.5690 117.8644 59.6898 30.4032 177.9079 17 D 4.4237 8.1222 118.4344 57.2225 40.9338 178.5005 18 A 3.9336 8.3926 121.7583 55.3066 18.0255 179.6959 19 R 3.9505 7.6038 116.1344 59.2911 30.3784 178.0645 20 R 3.9917 8.0050 115.9469 56.1437 29.7634 177.8777 21 S 3.9902 7.3967 114.7654 61.9990 62.3313 175.0695 22 H 4.7208 8.0160 114.3892 56.5722 28.4150 175.9114 23 H 4.3797 8.4149 116.0644 55.6606 28.6177 175.1157 24 A 3.9413 7.3419 123.3342 52.4394 18.2913 177.5123 25 L 4.2397 8.4392 125.3890 55.0406 43.0348 176.0307 26 T 4.5813 8.1095 115.4644 59.0142 70.6675 172.7809 27 P 4.3999 0.0000 0.0000 61.6933 32.0499 174.4484 28 P 4.2965 0.0000 0.0000 63.1776 31.6334 175.7704 29 T 4.2548 8.3173 111.5397 61.2221 69.5925 173.8101 30 L 4.9955 8.2280 124.7610 53.1133 46.3265 175.4709 31 V 4.6267 8.3824 112.9151 58.0718 37.1372 175.6983 32 P 5.3886 0.0000 0.0000 60.8977 33.1373 179.0414 33 C 4.5713 8.8881 125.0950 59.2519 33.2036 170.5618 34 P 3.6725 0.0000 0.0000 66.1973 31.6111 175.5628 35 E 4.2919 8.3613 126.7517 58.4599 29.8933 174.8164 36 C 4.9390 8.3779 118.0693 57.4483 28.4412 174.1627 37 K 4.1706 8.6692 120.9204 57.9455 33.1676 176.3032 38 A 3.8906 6.9089 123.3555 50.5390 20.8845 176.5770 39 M 5.6545 7.9097 116.3449 53.3168 32.8436 175.7240 40 K 4.2093 7.6342 119.0227 55.5420 33.4608 175.5362 41 P 4.8845 0.0000 0.0000 60.8281 32.6018 174.2583 42 P 4.2833 0.0000 0.0000 64.3360 31.6504 175.1362 43 H 4.1984 8.6033 113.7441 57.2348 26.5873 174.6686 44 T 4.4099 7.4132 111.4200 61.0244 69.9302 172.3905 45 V 3.8770 7.7501 119.1083 62.7363 34.3724 172.7053 46 C 4.4426 8.3632 119.6447 59.3255 34.6976 173.9598 47 P 4.3308 0.0000 0.0000 63.9363 31.0076 174.3650 48 E 4.7204 10.5819 122.4755 56.4373 34.7468 177.5358 49 C 3.6714 9.7966 125.3149 59.9347 30.6857 177.8262 50 G 3.7145 9.5525 109.7475 46.6604 0.0000 174.7160 51 Y 4.4828 8.4305 119.9994 57.3402 41.6217 172.5953 52 Y 4.2878 6.7224 120.2672 57.6290 38.2763 174.5595 53 A 3.7810 8.7556 128.0721 52.7327 16.4301 176.9164 54 G 3.8850 7.7744 106.4714 45.8316 0.0000 174.4149 55 R 4.1735 8.1394 120.3235 55.1185 31.1208 176.8451 56 K 4.2351 7.6647 116.5437 56.8655 35.5268 175.3419 57 V 4.0118 7.7595 112.0993 59.9357 30.2725 175.1691 58 L 3.9723 7.7286 124.7071 53.5723 43.0779 176.7121 59 E 4.6764 8.2029 116.6738 54.5020 32.4268 175.4207 60 V 3.7401 8.5727 119.9602 63.6056 31.4175 175.5962 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 4.34 1.30 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 0.00 0.00 3 K 8.03 4.27 0.00 1.74 1.70 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.53 7.81 4 H 8.80 3.39 0.00 3.17 2.96 0.00 5.80 0.00 0.00 0.00 0.00 6.69 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 4.48 0.00 2.22 2.03 0.00 3.82 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 1.99 1.95 0.00 6 V 7.91 4.56 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 0.79 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.36 0.00 2.20 2.10 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 K 8.50 4.26 0.00 1.71 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.51 7.81 9 K 7.56 4.57 0.00 1.73 1.63 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.62 3.89 0.00 1.71 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.46 7.81 11 T 8.61 3.85 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 8.75 4.21 0.00 4.03 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 13 K 8.68 3.90 0.00 1.81 1.90 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.51 7.81 14 A 8.19 3.91 1.28 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 0.00 0.00 0.00 15 R 8.39 3.86 0.00 1.92 1.95 0.00 3.10 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 R 7.57 3.84 0.00 1.86 2.13 0.00 3.30 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 17 D 8.12 4.42 0.00 2.73 2.67 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 0.00 0.00 0.00 0.00 18 A 8.39 3.93 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 19 R 7.60 3.95 0.00 1.87 2.27 0.00 3.29 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 20 R 8.00 3.99 0.00 1.92 1.74 0.00 3.14 0.00 0.00 2.98 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.74 0.00 21 S 7.40 3.99 0.00 3.84 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 22 H 8.02 4.72 0.00 3.26 3.29 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.41 4.38 0.00 3.20 3.36 0.00 5.87 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 7.34 3.94 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 25 L 8.44 4.24 0.00 1.63 1.58 0.93 1.00 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 26 T 8.11 4.58 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 P 0.00 4.40 0.00 2.20 2.10 0.00 3.78 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 1.99 1.95 0.00 28 P 0.00 4.30 0.00 2.19 2.10 0.00 3.76 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 1.99 1.96 0.00 29 T 8.32 4.25 4.25 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 1.22 0.00 0.00 30 L 8.23 5.00 0.00 1.49 1.55 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.38 4.63 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 0.85 0.00 0.00 0.98 0.00 0.00 32 P 0.00 5.39 0.00 2.07 1.26 0.00 3.91 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.92 0.00 33 C 8.89 4.57 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 3.67 0.00 2.21 2.11 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 2.26 2.27 0.00 35 E 8.36 4.29 0.00 1.98 1.93 0.00 0.00 0.00 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 2.32 0.00 36 C 8.38 4.94 0.00 3.03 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 37 K 8.67 4.17 0.00 1.85 1.92 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 38 A 6.91 3.89 1.24 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 0.00 0.00 0.00 39 M 7.91 5.65 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 40 K 7.63 4.21 0.00 1.87 1.66 0.00 1.43 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.29 7.81 41 P 0.00 4.88 0.00 2.17 2.03 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 1.93 1.93 0.00 42 P 0.00 4.28 0.00 2.33 2.13 0.00 4.03 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 2.06 2.04 0.00 43 H 8.60 4.20 0.00 3.37 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.41 4.41 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 1.20 0.00 0.00 45 V 7.75 3.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.92 0.00 0.00 46 C 8.36 4.44 0.00 2.96 2.61 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 47 P 0.00 4.33 0.00 2.10 2.14 0.00 3.69 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 1.98 2.13 0.00 48 E 10.58 4.72 0.00 2.00 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 2.21 2.27 0.00 49 C 9.80 3.67 0.00 3.01 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 9.55 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 0.00 0.00 0.00 51 Y 8.43 4.48 0.00 2.66 2.02 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 52 Y 6.72 4.29 0.00 3.13 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 53 A 8.76 3.78 1.40 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 0.00 0.00 54 G 7.77 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.17 0.00 1.78 1.87 0.00 3.37 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 56 K 7.66 4.24 0.00 1.98 1.97 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.35 7.81 57 V 7.76 4.01 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 0.73 0.00 0.00 0.93 0.00 0.00 58 L 7.73 3.97 0.00 1.61 1.63 0.97 0.91 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 59 E 8.20 4.68 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 60 V 8.57 3.74 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 0.77 0.00 0.00 0.93 0.00 0.00