NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4141 8.1227 122.4635 52.3575 20.6518 174.9157 2 T 4.7666 8.1947 112.3457 58.7191 71.0681 167.5220 3 V 4.6187 8.0284 126.0601 59.6160 34.5142 174.0648 4 K 4.6972 8.4707 122.2551 54.4871 35.1855 175.7831 5 F 5.0997 7.2072 121.5102 56.9397 42.5557 174.8790 6 K 4.2205 8.3548 120.8298 56.8809 32.5064 174.9204 7 Y 4.4091 8.5860 124.5971 56.3922 39.1348 176.4274 8 K 3.9780 9.5455 129.0118 57.5306 30.3707 175.1962 9 G 3.9260 8.2243 100.0122 46.6685 0.0000 173.4846 10 E 4.5726 7.5703 122.3656 53.2359 29.9148 172.5629 11 E 4.8802 8.3715 120.8742 55.8927 30.5442 176.7480 12 K 4.3606 8.4362 124.6044 55.6700 34.7525 175.5257 13 Q 4.4512 7.6679 121.0016 54.9213 32.0436 173.8857 14 V 4.2746 8.0390 125.3890 61.2126 35.2982 174.0452 15 D 4.4910 8.7366 127.5789 54.1632 41.4332 177.2983 16 I 3.7115 7.6085 121.9789 64.3424 37.9456 178.4655 17 S 4.3079 7.9266 115.0697 61.3240 63.2295 176.1894 18 K 4.1669 7.9241 120.8242 58.4349 31.7523 177.4879 19 I 4.1342 6.9187 118.2975 61.4580 37.1072 173.9323 20 K 4.5195 8.0768 117.2973 56.4864 35.1299 176.5538 21 K 4.9666 8.2562 116.2356 54.9964 36.2365 175.1515 22 V 5.0551 8.4887 121.3988 61.5905 34.5667 173.8838 23 W 5.3514 8.3673 124.7974 54.8548 31.4828 174.3940 24 R 3.9119 8.8211 121.9792 55.3486 29.7700 175.7036 25 V 4.2397 7.7251 121.9853 61.5551 34.1251 175.9182 26 G 3.9200 9.4741 118.9403 46.3336 0.0000 173.8162 27 K 4.3392 9.1413 117.5115 57.6841 35.5328 176.3559 28 M 4.4407 7.5854 117.4163 54.9685 34.1309 175.1793 29 I 4.5188 8.0982 118.5757 60.1107 41.8667 175.1835 30 S 4.1690 7.2588 120.9103 56.6118 67.6557 172.4193 31 F 4.7382 6.9697 114.1891 56.7737 41.8726 172.6126 32 T 4.8125 8.7650 108.6261 60.4855 71.3109 172.4068 33 Y 5.0131 7.5127 125.0951 54.8556 40.9986 174.6503 34 D 4.5434 8.3390 121.4425 53.9667 41.0697 175.6757 35 E 4.1797 9.1464 127.8791 60.8295 30.1644 176.9601 36 G 3.7550 7.5664 105.3781 45.5170 0.0000 173.8992 37 G 4.2068 8.2309 107.7312 45.0601 0.0000 174.8918 38 G 5.0541 7.6563 119.6168 46.1858 0.0000 172.7687 39 K 4.3307 7.5721 119.5148 55.0469 33.0922 176.5816 40 T 3.7578 8.5418 121.0130 64.1145 69.0648 174.9044 41 G 3.6983 8.4806 114.6137 44.6031 0.0000 173.4612 42 R 4.4270 8.0398 125.4244 56.5391 31.6123 175.8728 43 G 4.4460 8.6213 105.6756 45.4251 0.0000 172.2632 44 A 4.4123 8.6819 124.9273 49.5317 19.8512 176.3236 45 V 3.8555 7.3009 120.7442 61.3143 33.7183 176.4632 46 S 4.7251 8.1727 117.7117 57.4681 64.3081 175.0526 47 E 4.0009 8.4659 120.9765 59.3232 29.3923 178.1683 48 K 4.1513 7.8738 117.3404 59.3457 32.3201 178.6597 49 D 4.4426 8.0261 117.8532 55.9699 41.2645 176.9581 50 A 4.2440 7.1147 121.5780 50.9995 19.0776 176.5420 51 P 4.5722 0.0000 0.0000 62.7620 32.1818 175.5575 52 K 4.3128 8.5153 115.4947 58.0979 32.7242 176.7414 53 E 4.6141 7.9875 117.4592 56.7856 30.1993 177.1588 54 L 4.5173 7.8947 120.9338 56.9406 43.5976 176.9850 55 L 4.0599 7.9128 117.9137 57.1603 41.5565 179.0110 56 Q 4.0036 8.2463 118.3390 59.6535 28.7578 179.1498 57 M 4.1244 7.8359 119.1586 58.3327 31.7607 178.6168 58 L 4.1866 7.8421 119.4853 56.9401 42.2729 177.0450 59 E 4.6176 7.8660 117.7397 55.8307 30.2141 176.1930 60 K 4.3512 7.7992 119.9374 55.0875 31.9593 175.7345 61 Q 4.5916 8.3643 124.9495 53.8507 31.1101 175.2849 62 K 4.1474 8.5985 124.6417 56.6566 32.2671 176.0815 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 A 8.12 4.41 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 2 T 8.19 4.77 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 3 V 8.03 4.62 2.13 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 0.67 0.00 0.00 1.17 0.00 0.00 4 K 8.47 4.70 0.00 1.66 1.63 0.00 1.12 0.00 0.00 2.61 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.23 1.23 7.81 5 F 7.21 5.10 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.22 0.00 1.81 1.60 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.44 7.81 7 Y 8.59 4.41 0.00 3.21 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 8 K 9.55 3.98 0.00 1.96 1.89 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.46 7.81 9 G 8.22 3.93 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 0.00 0.00 0.00 10 E 7.57 4.57 0.00 2.21 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 2.23 2.28 0.00 11 E 8.37 4.88 0.00 1.86 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 2.30 2.19 0.00 12 K 8.44 4.36 0.00 1.80 1.37 0.00 2.18 0.00 0.00 1.96 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.67 7.81 13 Q 7.67 4.45 0.00 1.80 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.60 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 14 V 8.04 4.27 1.92 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 0.73 0.00 0.00 0.40 0.00 0.00 15 D 8.74 4.49 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.61 3.71 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.76 0.92 0.00 0.00 17 S 7.93 4.31 0.00 3.88 3.91 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 18 K 7.92 4.17 0.00 1.88 1.89 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.55 7.81 19 I 6.92 4.13 2.04 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.69 0.94 0.00 0.00 20 K 8.08 4.52 0.00 2.06 1.78 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.41 7.81 21 K 8.26 4.97 0.00 1.92 1.94 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 22 V 8.49 5.06 2.24 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 1.01 0.00 0.00 1.11 0.00 0.00 23 W 8.37 5.35 0.00 3.45 3.25 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 24 R 8.82 3.91 0.00 2.00 1.94 0.00 3.00 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 25 V 7.73 4.24 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 0.93 0.00 0.00 1.16 0.00 0.00 26 G 9.47 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 27 K 9.14 4.34 0.00 1.69 1.79 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.40 7.81 28 M 7.59 4.44 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 29 I 8.10 4.52 1.66 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.26 0.68 0.00 0.00 30 S 7.26 4.17 0.00 2.72 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.97 4.74 0.00 3.11 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 32 T 8.76 4.81 4.31 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 1.61 0.00 0.00 33 Y 7.51 5.01 0.00 3.06 3.07 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 0.00 0.00 0.00 34 D 8.34 4.54 0.00 2.85 2.71 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 35 E 9.15 4.18 0.00 2.11 2.05 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 2.39 2.53 0.00 36 G 7.57 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.23 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 0.00 0.00 0.00 0.00 38 G 7.66 5.05 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 39 K 7.57 4.33 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 40 T 8.54 3.76 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 1.17 0.00 0.00 41 G 8.48 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 42 R 8.04 4.43 0.00 1.67 1.88 0.00 3.34 0.00 0.00 3.50 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.69 0.00 43 G 8.62 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 4.41 1.17 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 0.00 0.00 0.00 45 V 7.30 3.86 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 1.09 0.00 0.00 46 S 8.17 4.73 0.00 3.99 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 47 E 8.47 4.00 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 48 K 7.87 4.15 0.00 1.75 1.84 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.51 7.81 49 D 8.03 4.44 0.00 2.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.11 4.24 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 51 P 0.00 4.57 0.00 2.20 2.13 0.00 3.83 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 2.01 2.16 0.00 52 K 8.52 4.31 0.00 1.77 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 53 E 7.99 4.61 0.00 1.96 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 2.26 2.29 0.00 54 L 7.89 4.52 0.00 1.78 1.67 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.91 4.06 0.00 1.75 1.73 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 8.25 4.00 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 57 M 7.84 4.12 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.59 0.00 58 L 7.84 4.19 0.00 1.70 1.82 1.09 0.99 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 59 E 7.87 4.62 0.00 2.01 1.91 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 2.24 2.25 0.00 60 K 7.80 4.35 0.00 2.04 1.80 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.76 1.52 7.81 61 Q 8.36 4.59 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 62 K 8.60 4.15 0.00 1.76 1.67 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.38 7.81