NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4962 8.3049 120.3324 55.0992 33.4419 174.4004 2 K 4.3549 8.3760 119.4747 55.1976 33.6917 175.4349 3 K 4.6860 9.2183 122.5832 56.4018 34.5370 175.1616 4 Y 4.8303 8.9768 118.8584 56.4913 42.1519 174.5085 5 T 5.1399 8.8546 117.1495 60.2477 71.2945 172.3467 6 C 3.4613 8.9425 128.7039 58.6661 32.1078 174.1887 7 T 4.1314 8.6056 116.7005 62.7576 68.9897 175.5634 8 V 3.9402 7.6063 121.9981 64.5537 32.1358 175.9841 9 C 4.6179 8.1447 110.8904 57.3841 31.1649 174.5945 10 G 3.9713 8.3133 108.5207 44.7591 0.0000 173.2346 11 Y 4.2782 7.9692 121.1537 58.1894 40.0608 174.7234 12 I 4.8484 7.3688 125.3196 59.5742 40.1187 174.1367 13 Y 4.5341 9.5766 129.2041 56.4951 40.5471 173.4230 14 N 4.9618 7.8128 125.5883 50.8735 40.8026 173.0539 15 P 4.1645 0.0000 0.0000 65.6755 31.7731 178.2170 16 E 4.1149 8.2424 120.0002 57.9303 29.8109 176.2816 17 D 4.6681 7.8654 115.6927 52.7308 43.3166 177.7072 18 G 4.1987 7.7874 107.1376 46.1167 0.0000 174.0502 19 D 4.9876 8.7263 112.0930 52.3146 42.4052 174.7995 20 P 4.4046 0.0000 0.0000 65.9095 31.8186 179.2697 21 D 4.4999 8.2820 117.2645 56.4105 40.8457 176.5607 22 N 4.9147 8.2293 115.1635 52.9445 39.0531 174.9987 23 G 3.7828 8.2062 104.8487 46.0520 0.0000 174.3122 24 V 4.0961 7.6989 120.2898 60.5877 32.1862 175.0786 25 N 4.8854 8.3893 125.3908 51.7016 39.3703 173.2448 26 P 4.3851 0.0000 0.0000 64.7633 31.5180 176.7701 27 G 3.9318 9.4033 109.6369 45.5222 0.0000 173.2761 28 T 4.3130 7.4743 117.1706 62.1820 69.3135 174.6663 29 D 4.7129 8.4241 125.9791 52.5816 40.8414 175.9114 30 F 3.3950 8.9748 123.0891 61.1546 39.3129 177.3340 31 K 3.7102 7.9059 119.8724 59.3783 31.9592 176.8904 32 D 4.4590 7.9083 115.9006 54.7761 41.1329 176.7070 33 I 3.4816 6.6754 121.7821 59.7254 37.5906 174.2119 34 P 4.1475 0.0000 0.0000 63.2239 31.2036 176.8372 35 D 4.4314 8.6735 121.1537 56.1063 40.7513 176.4573 36 D 4.7171 7.7634 117.5331 52.5993 40.2063 176.5378 37 W 4.2172 8.0975 130.5955 57.5501 31.2331 175.2883 38 V 4.2191 6.7998 115.9598 58.6691 34.9018 175.1216 39 C 3.4344 8.2607 122.3406 58.8469 31.6179 173.2551 40 P 3.9684 0.0000 0.0000 64.9879 31.1826 177.1142 41 A 4.2998 7.4347 120.9374 53.3124 19.2863 177.1955 42 C 4.6210 7.5934 106.4916 56.9050 30.9299 175.0390 43 G 3.7724 8.2518 108.5949 45.7114 0.0000 174.2588 44 V 3.9177 7.2681 113.2284 60.2116 32.7632 175.8197 45 G 4.2662 8.2919 110.4219 44.8528 0.0000 174.9983 46 K 4.3544 8.7064 118.2309 59.4188 32.1325 179.3778 47 D 4.5194 8.3367 117.4431 56.8464 40.9220 176.8895 48 Q 4.4709 8.5416 117.1982 55.9566 29.1100 175.1734 49 F 5.2394 8.5239 117.8105 56.4794 40.8330 175.0405 50 E 4.8699 9.0285 117.7715 54.3909 33.1863 174.3819 51 E 2.5674 8.6166 123.0496 55.9024 30.5336 176.2031 52 V 3.8828 7.8896 127.7185 61.9110 31.9628 175.1546 53 E 4.3308 8.5944 128.1772 55.4554 30.6234 176.5434 54 E 4.2460 8.5901 121.4605 56.5041 29.9478 175.8591 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 4.50 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 2 K 8.38 4.35 0.00 1.86 1.64 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 3 K 9.22 4.69 0.00 1.67 1.70 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.44 7.81 4 Y 8.98 4.83 0.00 2.59 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.85 5.14 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 1.20 0.00 0.00 6 C 8.94 3.46 0.00 2.20 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 7 T 8.61 4.13 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 1.25 0.00 0.00 8 V 7.61 3.94 2.03 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 0.83 0.00 0.00 0.91 0.00 0.00 9 C 8.14 4.62 0.00 3.09 2.98 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 10 G 8.31 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.97 4.28 0.00 3.19 2.92 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 12 I 7.37 4.85 1.65 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.88 0.00 0.00 13 Y 9.58 4.53 0.00 3.67 3.23 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 0.00 14 N 7.81 4.96 0.00 2.64 2.43 0.00 0.00 6.83 7.63 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 15 P 0.00 4.16 0.00 2.19 2.56 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 16 E 8.24 4.11 0.00 1.92 1.96 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 2.24 2.27 0.00 17 D 7.87 4.67 0.00 2.59 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 18 G 7.79 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 0.00 0.00 0.00 0.00 19 D 8.73 4.99 0.00 3.21 2.84 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 20 P 0.00 4.40 0.00 2.29 2.35 0.00 3.85 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 21 D 8.28 4.50 0.00 2.76 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.23 4.91 0.00 3.16 2.96 0.00 0.00 7.56 7.67 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 23 G 8.21 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 0.00 0.00 0.00 24 V 7.70 4.10 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 1.01 0.00 0.00 0.43 0.00 0.00 25 N 8.39 4.89 0.00 2.87 2.72 0.00 0.00 6.80 8.03 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 26 P 0.00 4.39 0.00 2.21 2.16 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 27 G 9.40 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 28 T 7.47 4.31 4.27 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 1.05 0.00 0.00 29 D 8.42 4.71 0.00 2.83 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 30 F 8.97 3.40 0.00 2.62 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 0.00 0.00 0.00 0.00 31 K 7.91 3.71 0.00 1.72 1.92 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.42 7.81 32 D 7.91 4.46 0.00 2.79 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 33 I 6.68 3.48 0.95 0.00 0.00 -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 0.50 -0.15 -0.12 0.00 0.00 34 P 0.00 4.15 0.00 2.17 2.13 0.00 3.47 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 35 D 8.67 4.43 0.00 2.64 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.76 4.72 0.00 2.77 2.76 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 37 W 8.10 4.22 0.00 3.11 3.04 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 0.00 0.00 0.00 0.00 38 V 6.80 4.22 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 0.66 0.00 0.00 0.64 0.00 0.00 39 C 8.26 3.43 0.00 3.16 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.97 0.00 2.09 2.06 0.00 2.83 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.96 0.00 41 A 7.43 4.30 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 42 C 7.59 4.62 0.00 3.00 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 43 G 8.25 3.77 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 0.00 0.00 0.00 44 V 7.27 3.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 45 G 8.29 4.27 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 0.00 46 K 8.71 4.35 0.00 1.89 1.96 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.76 7.81 47 D 8.34 4.52 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.54 4.47 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 49 F 8.52 5.24 0.00 3.28 2.92 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 50 E 9.03 4.87 0.00 1.96 2.00 0.00 0.00 0.00 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 2.17 0.00 51 E 8.62 2.57 0.00 1.67 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.53 0.00 52 V 7.89 3.88 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 0.73 0.00 0.00 0.86 0.00 0.00 53 E 8.59 4.33 0.00 1.94 1.81 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 2.33 2.21 0.00 54 E 8.59 4.25 0.00 1.89 1.79 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 2.17 2.21 0.00