NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3370 8.3001 120.3268 55.3460 34.2860 175.2331 2 A 3.9551 7.8574 122.5911 51.8197 18.7163 173.0804 3 E 4.8653 9.1094 126.3901 54.7377 33.2047 172.1275 4 I 3.9058 8.5067 123.0403 62.4309 37.6754 176.1707 5 K 4.1258 9.0238 127.4852 56.1481 34.0103 175.9701 6 H 4.4319 8.1322 120.2724 54.6663 31.6120 172.1666 7 Y 4.6715 8.5934 124.0759 57.3848 39.8948 174.6257 8 Q 4.9396 8.6418 122.3642 54.6375 32.8470 173.6925 9 F 5.2525 9.5273 124.5194 55.6956 43.4997 174.0873 10 N 5.2230 9.4493 122.6017 52.9038 39.0572 173.4127 11 V 4.7655 8.4286 126.0136 59.5090 33.6030 176.0711 12 V 3.8475 8.5532 125.9218 62.9733 30.5972 175.7020 13 M 3.9864 9.0482 127.7572 58.8282 32.7649 176.6168 14 T 3.2631 9.1264 109.0665 63.5064 65.8875 171.8618 15 C 3.7176 8.2037 122.5446 59.5082 31.5022 170.2948 16 S 4.1501 8.7399 116.1232 59.7486 61.0078 172.2980 17 G 3.7012 8.0954 107.7834 49.1505 0.0000 172.6379 18 C 4.3694 8.8945 117.0443 59.9444 29.7396 173.5414 19 S 4.1907 7.9696 118.2108 59.2261 62.3258 172.2222 20 G 3.7858 7.8029 108.0360 46.7310 0.0000 172.1782 21 A 3.9810 8.7535 128.5533 53.3489 17.2783 180.3613 22 V 3.5771 7.7530 112.9017 66.0158 31.8781 177.5497 23 N 4.4404 8.6887 116.9398 56.6363 38.9371 176.6785 24 K 3.8737 8.1403 119.6841 59.7989 31.9984 179.4920 25 V 3.6719 8.0234 117.6248 64.5179 31.3638 177.7469 26 L 4.2679 8.0107 119.5748 56.8351 41.5111 178.7743 27 T 3.8559 7.8695 110.4343 65.0140 68.1469 175.8145 28 K 3.8755 8.1893 120.9763 58.2398 32.1483 176.3083 29 L 4.8893 8.1391 119.3144 55.2662 41.2305 178.6069 30 E 3.9412 8.6203 121.0099 60.2713 29.4311 178.2425 31 P 4.3024 0.0000 0.0000 64.6648 31.5878 175.9960 32 D 4.7813 8.4281 118.1388 53.7765 41.9808 175.2042 33 V 4.5759 7.8541 118.0490 61.9325 34.0594 174.9182 34 S 4.3773 9.1459 122.8759 60.1048 62.8892 173.4412 35 K 4.4315 7.4943 117.7723 56.2500 35.4518 172.6328 36 I 5.3225 8.5006 121.3077 59.7118 40.9562 174.4111 37 D 5.0268 9.2940 122.8282 53.0918 45.4979 173.9934 38 I 5.0612 8.2541 121.1004 59.9864 41.2897 175.6753 39 S 4.5155 9.3835 122.7352 56.1385 64.2561 174.5197 40 L 3.9197 8.7782 124.9050 58.1266 41.8599 179.7263 41 E 3.8991 8.1281 115.9301 59.3830 29.3226 178.6337 42 K 4.4595 7.9827 113.5899 55.3585 32.8503 176.1221 43 Q 3.4571 8.1128 117.4861 57.1034 27.0323 173.1291 44 L 5.3350 7.9732 116.2184 53.2756 44.8336 176.9786 45 V 4.9669 8.9565 121.1219 60.2658 34.7313 174.1485 46 D 5.3018 9.1870 124.4704 53.0587 43.3315 175.8062 47 V 4.6456 8.8727 121.6640 61.6759 34.8474 173.9953 48 Y 5.0399 9.2631 127.7950 57.5247 38.9710 174.7566 49 T 4.7400 8.5431 117.5442 61.5877 71.0308 173.8037 50 T 4.4233 8.2128 119.0541 63.1064 68.0239 175.3653 51 L 4.0788 7.7798 120.7525 54.0841 42.4392 175.2765 52 P 4.5052 0.0000 0.0000 63.1283 32.1487 176.6508 53 Y 3.5809 8.6442 123.0546 60.8438 38.8884 178.0767 54 D 4.2594 8.4321 119.3419 57.5685 40.9386 178.7784 55 F 3.8427 8.4362 120.6985 61.2988 39.3088 177.1649 56 I 3.6000 7.6237 118.7095 64.3254 37.0085 177.8591 57 L 3.4812 7.7095 120.0470 57.9260 41.3740 179.1913 58 E 3.7324 8.0322 118.3240 59.6505 29.2061 179.9021 59 K 3.7985 7.4534 116.3853 59.4325 32.3691 179.1696 60 I 3.6587 7.7433 120.3334 64.1111 36.9072 178.0054 61 K 3.6829 8.2497 120.7443 59.8470 31.7175 178.7151 62 K 3.8841 7.9060 117.0894 59.3708 31.9444 178.9491 63 T 4.0269 7.7441 109.4131 62.7433 68.9016 175.8396 64 G 3.9240 8.2216 109.5937 45.0425 0.0000 173.7579 65 K 4.1853 7.4669 119.2515 55.6473 32.9323 176.8521 66 E 4.0948 8.6259 122.1510 57.0267 30.9267 176.5512 67 V 4.5958 8.7053 122.0355 61.5022 32.9149 175.2209 68 R 4.2098 9.2836 128.7147 59.2633 30.7745 176.8568 69 S 4.6064 7.4686 112.2492 58.1009 67.4149 174.6391 70 G 4.3777 8.4483 106.7333 46.3891 0.0000 172.2693 71 K 4.7929 8.4140 119.8700 55.5632 36.7066 174.5714 72 Q 4.8059 8.2796 117.5960 54.3627 31.0695 175.7006 73 L 4.2781 8.0608 119.8466 54.9675 42.1765 176.4440 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 M 8.30 4.34 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 7.86 3.96 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 3 E 9.11 4.87 0.00 2.01 1.89 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 2.29 2.42 0.00 4 I 8.51 3.91 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.49 1.03 0.00 0.00 5 K 9.02 4.13 0.00 1.50 0.74 0.00 1.49 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.14 1.15 7.81 6 H 8.13 4.43 0.00 3.08 2.91 0.00 5.66 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 7 Y 8.59 4.67 0.00 3.14 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.94 0.00 1.92 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.58 0.00 9 F 9.53 5.25 0.00 2.97 3.01 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 10 N 9.45 5.22 0.00 2.80 2.79 0.00 0.00 6.68 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.43 4.77 2.10 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 0.78 0.00 0.00 0.97 0.00 0.00 12 V 8.55 3.85 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 0.81 0.00 0.00 0.94 0.00 0.00 13 M 9.05 3.99 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 14 T 9.13 3.26 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 15 C 8.20 3.72 0.00 3.14 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 16 S 8.74 4.15 0.00 4.08 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 17 G 8.10 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 18 C 8.89 4.37 0.00 3.02 2.93 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 0.00 0.00 0.00 19 S 7.97 4.19 0.00 4.12 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 20 G 7.80 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 0.00 0.00 0.00 21 A 8.75 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.58 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 0.82 0.00 0.00 0.95 0.00 0.00 23 N 8.69 4.44 0.00 2.85 2.89 0.00 0.00 7.23 6.46 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 24 K 8.14 3.87 0.00 1.97 1.86 0.00 1.72 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.52 7.81 25 V 8.02 3.67 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 0.90 0.00 0.00 0.92 0.00 0.00 26 L 8.01 4.27 0.00 1.92 1.80 1.00 0.35 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 27 T 7.87 3.86 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 1.31 0.00 0.00 28 K 8.19 3.88 0.00 1.76 1.96 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.62 7.81 29 L 8.14 4.89 0.00 1.90 1.87 1.08 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.62 3.94 0.00 2.02 2.10 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 2.37 2.57 0.00 31 P 0.00 4.30 0.00 2.18 2.20 0.00 3.66 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 2.01 1.97 0.00 32 D 8.43 4.78 0.00 2.67 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 33 V 7.85 4.58 2.20 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 0.95 0.00 0.00 1.06 0.00 0.00 34 S 9.15 4.38 0.00 3.97 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 0.00 35 K 7.49 4.43 0.00 1.80 1.58 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.46 7.81 36 I 8.50 5.32 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.77 1.03 0.00 0.00 37 D 9.29 5.03 0.00 2.84 2.60 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 0.00 0.00 0.00 0.00 38 I 8.25 5.06 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.81 0.95 0.00 0.00 39 S 9.38 4.52 0.00 3.72 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 40 L 8.78 3.92 0.00 1.72 1.77 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.13 3.90 0.00 1.97 2.06 0.00 0.00 0.00 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 2.40 0.00 42 K 7.98 4.46 0.00 1.72 1.81 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.50 7.81 43 Q 8.11 3.46 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 44 L 7.97 5.34 0.00 1.63 1.61 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.96 4.97 2.16 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 1.26 0.00 0.00 1.04 0.00 0.00 46 D 9.19 5.30 0.00 2.73 2.10 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 47 V 8.87 4.65 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 1.33 0.00 0.00 1.16 0.00 0.00 48 Y 9.26 5.04 0.00 3.18 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 49 T 8.54 4.74 4.40 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 1.52 0.00 0.00 50 T 8.21 4.42 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 1.32 0.00 0.00 51 L 7.78 4.08 0.00 1.84 1.63 1.05 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.51 0.00 2.31 2.25 0.00 3.56 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 2.09 1.93 0.00 53 Y 8.64 3.58 0.00 2.78 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 54 D 8.43 4.26 0.00 2.81 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 55 F 8.44 3.84 0.00 3.19 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 56 I 7.62 3.60 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.51 0.72 0.00 0.00 57 L 7.71 3.48 0.00 1.54 1.47 0.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.03 3.73 0.00 1.91 1.68 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 2.18 2.32 0.00 59 K 7.45 3.80 0.00 1.74 1.77 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.45 1.43 7.81 60 I 7.74 3.66 1.60 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.37 0.69 0.00 0.00 61 K 8.25 3.68 0.00 1.86 1.74 0.00 1.42 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.47 7.81 62 K 7.91 3.88 0.00 1.87 1.80 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.43 7.81 63 T 7.74 4.03 4.20 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 1.25 0.00 0.00 64 G 8.22 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 65 K 7.47 4.19 0.00 1.76 1.73 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.38 7.81 66 E 8.63 4.09 0.00 1.88 1.88 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 2.39 2.26 0.00 67 V 8.71 4.60 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 0.81 0.00 0.00 0.88 0.00 0.00 68 R 9.28 4.21 0.00 1.74 1.99 0.00 3.27 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 69 S 7.47 4.61 0.00 3.76 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 70 G 8.45 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.79 0.00 1.61 1.82 0.00 1.26 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.43 7.81 72 Q 8.28 4.81 0.00 1.76 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.05 2.19 0.00 73 L 8.06 4.28 0.00 1.25 1.36 0.45 0.87 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