NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8909 8.3549 109.7368 45.5778 0.0000 172.5748 2 R 4.0267 7.7935 117.8923 55.2048 30.9708 175.9657 3 K 4.5641 8.3634 122.9359 56.1097 33.3482 177.0724 4 R 4.1642 7.3457 117.2016 55.7177 31.0901 177.3641 5 K 4.5264 7.6105 124.6184 53.9723 32.1660 175.1019 6 I 4.5018 7.3185 113.3516 59.0559 40.5263 175.0241 7 D 4.7369 8.3009 122.4626 53.2709 42.8338 174.9015 8 R 4.5553 7.8662 123.7993 55.8570 31.1455 176.1839 9 D 4.4021 8.3477 116.4259 56.8842 41.5619 177.1152 10 A 4.0440 7.9105 121.1516 55.3536 17.8988 179.6652 11 V 3.6930 7.6759 115.0361 65.6645 31.4848 178.1991 12 L 4.1178 8.0740 119.8096 57.5182 41.6277 178.4155 13 N 4.5314 7.9596 115.9899 55.8605 38.9562 177.0930 14 M 4.0501 8.0765 117.6295 56.9220 32.3939 177.3766 15 W 4.5727 7.7928 117.9344 58.1585 30.9049 177.3713 16 Q 4.3866 7.9060 114.1595 57.3146 28.3261 177.3404 17 Q 4.4627 7.7302 119.1443 56.0180 30.7305 175.0963 18 G 4.0888 6.7953 108.0043 45.8434 0.0000 172.2057 19 L 4.7278 7.4081 122.0770 54.0733 46.2342 176.1222 20 G 3.6119 8.5988 105.6990 46.7048 0.0000 177.0104 21 A 3.0744 8.0728 127.1291 53.2484 20.8634 178.2469 22 S 3.9788 8.1061 111.2566 60.8282 62.8336 175.6635 23 H 4.0305 8.1586 120.7070 59.1975 29.4414 177.2990 24 I 3.5235 7.3253 121.6412 63.8490 36.6915 178.2561 25 S 4.4040 7.4220 115.3673 61.0673 62.9762 176.5269 26 K 3.9849 7.5794 120.7939 59.0851 31.7264 179.1024 27 T 4.0306 7.1908 114.8442 67.2645 68.9848 174.2613 28 M 4.8547 7.9546 119.3392 54.2144 32.8933 175.4448 29 N 5.0988 8.4496 109.8434 51.6847 38.1502 174.1557 30 I 4.4141 7.2098 109.4398 59.1741 40.9036 174.2034 31 A 4.5647 8.3630 124.5157 51.8736 20.3914 179.0442 32 R 3.7347 8.2647 117.1524 59.6084 29.4829 178.9540 33 S 4.2934 7.9585 112.5137 61.3365 62.7987 175.7221 34 T 4.0483 7.8895 118.1377 66.4901 68.2135 176.5631 35 V 3.6553 7.6407 120.1417 66.3255 31.5911 177.6481 36 Y 4.6329 7.8632 115.6660 60.3844 37.4411 178.2134 37 K 4.0457 7.8270 119.4696 59.3283 32.3710 179.1534 38 V 4.4535 7.5642 119.3230 65.7791 31.2602 177.8927 39 I 3.5781 7.8222 119.5201 64.4620 36.6409 178.0070 40 N 4.1430 8.1344 117.1557 56.6278 38.4821 176.5535 41 E 4.0358 8.1651 120.0078 57.3657 29.2435 177.9978 42 S 3.8939 7.4013 112.4225 59.2618 61.1644 171.7892 43 N 4.5216 7.5801 123.5022 53.1903 37.1943 174.6165 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 G 8.35 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 2 R 7.79 4.03 0.00 1.89 1.87 0.00 3.17 0.00 0.00 3.19 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 3 K 8.36 4.56 0.00 1.66 1.74 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.48 7.81 4 R 7.35 4.16 0.00 1.84 1.79 0.00 3.21 0.00 0.00 3.15 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 5 K 7.61 4.53 0.00 1.66 1.69 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.44 7.81 6 I 7.32 4.50 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.45 0.92 0.00 0.00 7 D 8.30 4.74 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 4.56 0.00 2.00 2.11 0.00 3.03 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 9 D 8.35 4.40 0.00 2.69 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 10 A 7.91 4.04 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 11 V 7.68 3.69 2.19 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 1.30 0.00 0.00 1.01 0.00 0.00 12 L 8.07 4.12 0.00 1.98 1.82 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.96 4.53 0.00 2.96 2.83 0.00 0.00 6.80 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 14 M 8.08 4.05 0.00 1.60 2.04 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 15 W 7.79 4.57 0.00 3.55 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.91 4.39 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.89 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 17 Q 7.73 4.46 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 18 G 6.80 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 0.00 0.00 0.00 19 L 7.41 4.73 0.00 1.41 1.32 0.83 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.60 3.61 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 0.00 0.00 0.00 21 A 8.07 3.07 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 3.98 0.00 3.88 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 23 H 8.16 4.03 0.00 3.25 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.33 3.52 1.37 0.00 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.15 0.03 0.00 0.00 25 S 7.42 4.40 0.00 4.04 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 26 K 7.58 3.98 0.00 1.62 1.80 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 27 T 7.19 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 1.13 0.00 0.00 28 M 7.95 4.85 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 29 N 8.45 5.10 0.00 2.78 2.85 0.00 0.00 5.65 7.81 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 30 I 7.21 4.41 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 1.32 0.41 0.91 0.00 0.00 31 A 8.36 4.56 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 32 R 8.26 3.73 0.00 2.00 2.24 0.00 3.10 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 33 S 7.96 4.29 0.00 3.96 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 34 T 7.89 4.05 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 35 V 7.64 3.66 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 1.34 0.00 0.00 0.89 0.00 0.00 36 Y 7.86 4.63 0.00 3.33 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 37 K 7.83 4.05 0.00 1.99 1.92 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.74 7.81 38 V 7.56 4.45 2.34 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 1.35 0.00 0.00 1.01 0.00 0.00 39 I 7.82 3.58 1.97 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.62 0.37 0.00 0.00 40 N 8.13 4.14 0.00 2.84 2.85 0.00 0.00 7.23 7.09 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 41 E 8.17 4.04 0.00 2.35 2.01 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 2.34 2.54 0.00 42 S 7.40 3.89 0.00 3.84 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 43 N 7.58 4.52 0.00 3.02 2.80 0.00 0.00 6.67 7.46 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