NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3860 8.1627 120.3499 55.6808 34.0060 176.5814 2 K 3.9181 8.6008 116.5743 56.8046 31.8700 175.7905 3 R 3.4806 7.2891 114.0805 56.5185 28.9515 173.3397 4 T 4.6104 8.1452 116.1786 62.8938 75.1023 174.5695 5 F 4.3836 8.3460 121.7916 59.0518 39.7472 175.1872 6 Q 4.1897 7.7802 118.7730 55.6972 29.1555 174.1308 7 P 4.4149 0.0000 0.0000 62.6611 32.3918 175.4885 8 S 4.5396 7.8256 112.2680 58.2048 65.0799 176.4540 9 V 4.0126 7.9625 124.3914 63.7709 32.0705 178.4135 10 L 4.0402 7.7944 119.0520 57.5575 40.4583 177.4715 11 K 4.3629 7.9628 117.4047 56.7141 32.1762 177.3536 12 R 4.3224 7.6624 119.7932 57.0957 30.7568 178.0198 13 N 4.4396 8.0979 115.2306 55.4036 39.0538 175.1007 14 R 4.5677 7.7868 113.7167 56.1721 31.8408 175.2304 15 S 4.3688 7.7754 110.5912 59.6757 65.5620 174.0851 16 H 4.6800 7.9590 114.0086 55.3599 28.9528 175.2124 17 G 3.8527 7.5729 107.9447 43.3515 0.0000 174.8530 18 F 4.1414 8.4300 124.7730 60.8305 39.2020 178.0337 19 R 4.0044 8.1765 116.9549 59.2984 29.8617 178.8731 20 A 4.2215 7.9734 119.9566 54.8752 18.5407 179.2962 21 R 4.0881 8.3396 116.1389 58.3918 29.8492 178.2085 22 M 4.3354 7.4925 116.7476 56.7574 33.1032 177.6448 23 A 4.1635 8.3725 120.6147 54.3674 18.9570 177.9808 24 T 4.0388 7.6989 107.1987 61.0892 69.7551 175.4097 25 K 4.0622 8.7371 126.3764 59.2834 32.0187 178.3480 26 N 4.3437 8.3218 116.0739 56.6249 38.8403 176.9881 27 G 3.8118 7.8017 108.1182 47.1864 0.0000 175.6879 28 R 3.9889 7.9552 121.0246 59.3220 29.9829 178.7206 29 Q 3.9973 8.0065 117.5046 58.7809 28.7359 178.4539 30 V 3.5767 7.7905 118.8160 65.9138 31.5415 177.5135 31 L 3.9358 7.8726 119.4879 58.1581 41.9403 178.5650 32 A 3.9572 7.6665 120.5802 55.4596 17.9357 179.6825 33 R 3.8474 8.3945 117.0429 59.1327 29.8312 178.2769 34 R 4.2412 8.1132 117.8939 57.8512 30.5415 176.3562 35 R 4.5265 7.9713 112.7496 57.5556 32.8294 177.1055 36 A 3.9194 8.2073 120.9978 53.8819 18.8102 178.1216 37 K 4.2431 8.4020 116.5052 58.3686 33.0160 178.9484 38 G 3.9765 7.5194 102.7639 44.9971 0.0000 174.3551 39 R 3.8571 8.2132 116.9929 56.3676 30.3169 176.2437 40 A 4.9422 7.3463 119.4915 52.3926 19.9781 175.7218 41 R 4.6898 8.1814 113.6031 56.3542 34.6788 173.7934 42 L 4.4799 8.2176 116.8325 56.7603 43.7933 178.8965 43 T 3.3487 7.8366 103.2198 62.3283 68.2893 172.1282 44 V 4.1174 7.4290 121.1617 62.3451 31.3453 178.1355 45 S 4.1231 7.8773 116.9493 60.8858 62.8584 174.2979 46 K 4.1345 7.8620 126.5914 56.6008 31.8283 176.1375 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 8.16 4.39 0.00 2.07 2.13 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 2.57 2.54 0.00 2 K 8.60 3.92 0.00 1.85 1.78 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.50 7.81 3 R 7.29 3.48 0.00 1.99 2.07 0.00 3.35 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 4 T 8.15 4.61 4.35 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 1.25 0.00 0.00 5 F 8.35 4.38 0.00 2.96 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 6 Q 7.78 4.19 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 7 P 0.00 4.41 0.00 2.14 1.98 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 8 S 7.83 4.54 0.00 3.77 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.96 4.01 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 0.87 0.00 0.00 0.94 0.00 0.00 10 L 7.79 4.04 0.00 1.77 1.85 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.96 4.36 0.00 1.77 1.87 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.39 7.81 12 R 7.66 4.32 0.00 1.83 1.89 0.00 3.21 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 13 N 8.10 4.44 0.00 2.64 2.82 0.00 0.00 6.79 7.65 0.00 0.00 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 R 7.79 4.57 0.00 1.74 1.85 0.00 3.36 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 15 S 7.78 4.37 0.00 3.55 3.16 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 0.00 0.00 0.00 0.00 16 H 7.96 4.68 0.00 3.04 3.07 0.00 5.70 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 17 G 7.57 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 0.00 0.00 0.00 18 F 8.43 4.14 0.00 3.05 3.08 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 19 R 8.18 4.00 0.00 1.89 2.01 0.00 3.16 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 20 A 7.97 4.22 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 21 R 8.34 4.09 0.00 2.04 2.02 0.00 2.94 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 22 M 7.49 4.34 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 23 A 8.37 4.16 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 24 T 7.70 4.04 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 1.24 0.00 0.00 25 K 8.74 4.06 0.00 1.84 1.85 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.53 7.81 26 N 8.32 4.34 0.00 2.72 2.89 0.00 0.00 6.86 7.65 0.00 0.00 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 G 7.80 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 3.99 0.00 2.06 2.10 0.00 3.11 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 29 Q 8.01 4.00 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 30 V 7.79 3.58 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 1.12 0.00 0.00 0.94 0.00 0.00 31 L 7.87 3.94 0.00 1.94 1.68 0.98 1.35 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 32 A 7.67 3.96 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 33 R 8.39 3.85 0.00 1.99 1.95 0.00 3.09 0.00 0.00 3.10 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 34 R 8.11 4.24 0.00 1.91 2.18 0.00 3.35 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 35 R 7.97 4.53 0.00 2.02 2.08 0.00 2.82 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 36 A 8.21 3.92 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 37 K 8.40 4.24 0.00 1.84 1.80 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 38 G 7.52 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 0.00 0.00 0.00 39 R 8.21 3.86 0.00 1.91 2.01 0.00 3.26 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 40 A 7.35 4.94 1.25 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 0.00 0.00 0.00 41 R 8.18 4.69 0.00 1.76 1.78 0.00 3.14 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 42 L 8.22 4.48 0.00 1.56 1.68 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.84 3.35 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 1.17 0.00 0.00 44 V 7.43 4.12 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 0.99 0.00 0.00 0.98 0.00 0.00 45 S 7.88 4.12 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.86 4.13 0.00 1.72 1.71 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.44 7.81