NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4276 8.2493 123.5867 52.5580 20.1607 175.5070 2 D 4.6267 8.4068 114.5056 53.5291 44.3369 170.0275 3 V 4.7066 7.5749 117.0620 59.8569 31.1631 176.0551 4 V 3.9227 7.9298 123.3159 63.8698 33.0373 175.0635 5 T 5.1430 8.6032 121.5611 62.2136 72.8761 173.0758 6 Y 4.5182 8.4659 121.3119 56.3892 41.9171 174.2097 7 E 4.4149 8.9083 125.0637 55.7885 30.2242 176.5309 8 N 4.8866 8.3486 122.8036 51.6060 40.7437 175.3806 9 K 4.2174 8.5013 117.9713 58.0394 32.9829 177.9331 10 K 4.5538 7.8866 116.4155 53.6326 32.4471 173.8507 11 G 3.9647 8.4711 107.3759 44.9648 0.0000 170.1729 12 N 5.1852 8.4527 114.7449 51.6428 43.2984 174.3602 13 V 4.2645 7.6033 118.9792 60.0146 30.0970 175.8138 14 T 3.8561 7.6565 117.2824 64.8376 68.8080 175.2658 15 F 4.6422 8.3481 125.8975 57.2462 40.5494 174.6395 16 D 4.6749 8.4662 118.2007 53.0724 44.2602 174.6894 17 H 4.7434 10.2602 122.4871 57.8867 31.5084 176.6772 18 K 3.9107 7.7334 120.2201 59.5162 32.2042 178.5659 19 A 4.0820 8.0924 118.9272 55.1187 18.4674 178.7793 20 H 4.4485 8.2270 113.8737 58.7390 29.1988 177.3493 21 A 4.2276 8.2648 121.3408 55.3856 18.0671 179.0605 22 E 4.0474 7.8012 116.0067 59.6283 29.6893 178.8627 23 K 4.2635 7.7682 115.7860 58.8713 34.3650 178.8218 24 L 4.1010 8.6782 116.7207 55.0074 40.1274 177.1199 25 G 3.4155 10.7146 111.2668 46.5445 0.0000 173.6620 26 C 3.9918 7.7382 118.4979 59.3326 27.1382 174.9164 27 D 5.5197 8.3346 121.7053 57.1995 41.4302 178.2698 28 A 4.1098 8.1377 120.7775 54.8969 18.3823 177.0370 29 C 4.4785 9.2589 110.1009 61.8039 30.1610 174.6931 30 H 4.5680 7.6751 115.1904 55.6730 29.2782 174.9808 31 E 4.7053 8.2995 119.8833 55.9466 30.6938 171.5798 32 G 3.5210 9.0976 116.8546 45.6410 0.0000 168.1878 33 T 3.1880 8.5100 129.7284 61.7247 66.1086 170.6975 34 P 4.5201 0.0000 0.0000 63.1407 33.1569 175.2028 35 A 4.6384 8.0449 129.3254 51.8451 19.5642 176.5134 36 K 4.2672 7.1774 110.9465 57.2768 34.2300 174.2924 37 I 4.3194 8.1615 115.6636 59.7170 38.8238 176.1158 38 A 3.6585 7.7867 117.3339 53.0558 14.9887 175.6947 39 I 4.5264 7.1429 119.3816 59.9461 40.1921 173.5708 40 D 4.4005 7.7306 128.2299 53.0591 47.2772 176.3726 41 K 4.3936 6.9926 117.9787 54.1844 33.7620 173.7825 42 K 4.7230 7.9559 131.5873 57.4914 32.7721 176.7083 43 S 4.3343 7.4767 114.0331 59.6469 62.9037 175.5993 44 A 3.9169 8.0175 121.3014 54.8606 18.1098 177.3850 45 H 4.9044 8.1474 110.5754 55.6152 29.7823 174.7469 46 K 4.9049 8.7192 122.0698 54.7125 34.4835 175.8620 47 D 4.9738 9.2187 117.5023 57.8109 40.7427 178.0525 48 A 3.9618 7.7802 120.4156 55.3207 17.8827 177.4828 49 C 4.3854 8.1090 111.0192 61.2216 29.9270 174.1717 50 K 4.0814 7.8870 126.7112 58.2061 30.7952 177.5982 51 T 4.2192 7.7070 128.9930 64.5899 70.3768 174.0480 52 C 4.6094 7.3576 120.5113 57.9907 30.7034 171.9278 53 H 5.0502 7.6565 118.6158 57.5218 35.3876 174.7536 54 K 4.2874 8.0994 119.7533 55.0253 29.3853 176.3102 55 S 5.3463 7.3180 126.6240 58.8582 62.5142 177.5128 56 N 4.8700 7.5620 116.6973 51.7571 41.3067 172.0010 57 N 4.5204 8.2464 121.6708 53.2661 37.7752 173.0186 58 G 3.6868 7.3199 109.2108 44.7810 0.0000 171.5126 59 P 4.4070 0.0000 0.0000 62.1642 31.9130 176.4376 60 T 4.4180 8.4607 119.9275 63.2883 71.2107 174.7232 61 K 4.4636 7.5215 121.3324 55.4265 34.8755 174.5962 62 C 3.9290 8.5757 117.8195 62.1017 31.6861 173.9376 63 G 4.0916 9.2782 113.8037 45.6041 0.0000 174.4278 64 G 3.7200 7.7615 107.9413 49.1057 0.0000 174.2898 65 C 4.1243 7.2050 118.6043 60.9247 28.8192 173.8909 66 H 4.3224 7.6962 123.2984 54.7799 27.1492 172.4693 67 I 3.7526 8.0160 122.3963 61.2240 37.7740 175.8125 68 K 4.2045 8.4552 126.0483 56.5549 32.5850 176.3363 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 8.25 4.43 1.22 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 0.00 0.00 2 D 8.41 4.63 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.57 4.71 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 0.99 0.00 0.00 0.97 0.00 0.00 4 V 7.93 3.92 2.23 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 1.25 0.00 0.00 0.90 0.00 0.00 5 T 8.60 5.14 4.30 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 1.23 0.00 0.00 6 Y 8.47 4.52 0.00 2.84 2.90 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 7 E 8.91 4.41 0.00 1.82 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 2.29 2.40 0.00 8 N 8.35 4.89 0.00 2.82 2.83 0.00 0.00 7.09 8.25 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 9 K 8.50 4.22 0.00 1.76 1.87 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.43 7.81 10 K 7.89 4.55 0.00 1.79 1.79 0.00 1.51 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.28 1.36 7.81 11 G 8.47 3.96 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 0.00 0.00 0.00 12 N 8.45 5.19 0.00 2.64 2.62 0.00 0.00 6.37 7.68 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 13 V 7.60 4.26 1.71 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 0.34 0.00 0.00 0.02 0.00 0.00 14 T 7.66 3.86 4.16 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 1.20 0.00 0.00 15 F 8.35 4.64 0.00 3.04 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 16 D 8.47 4.67 0.00 2.09 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 10.26 4.74 0.00 3.06 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.73 3.91 0.00 1.91 1.81 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.52 7.81 19 A 8.09 4.08 1.40 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 0.00 0.00 0.00 20 H 8.23 4.45 0.00 3.32 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.26 4.23 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 E 7.80 4.05 0.00 2.12 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 2.43 2.59 0.00 23 K 7.77 4.26 0.00 1.69 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.38 7.81 24 L 8.68 4.10 0.00 1.66 1.37 0.81 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 G 10.71 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.74 3.99 0.00 3.17 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 27 D 8.33 5.52 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 4.11 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 29 C 9.26 4.48 0.00 2.72 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.68 4.57 0.00 3.17 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.30 4.71 0.00 1.90 1.85 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 2.45 2.24 0.00 32 G 9.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 3.19 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 1.20 0.00 0.00 34 P 0.00 4.52 0.00 2.01 1.74 0.00 3.83 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 35 A 8.04 4.64 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.18 4.27 0.00 1.81 1.77 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.16 1.29 7.81 37 I 8.16 4.32 1.74 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.58 0.81 0.00 0.00 38 A 7.79 3.66 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.14 4.53 1.61 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 1.26 0.72 0.80 0.00 0.00 40 D 7.73 4.40 0.00 2.58 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 41 K 6.99 4.39 0.00 1.68 1.63 0.00 1.94 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.14 1.22 7.81 42 K 7.96 4.72 0.00 1.92 1.90 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.16 1.18 7.81 43 S 7.48 4.33 0.00 3.86 3.86 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 0.00 0.00 0.00 44 A 8.02 3.92 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 45 H 8.15 4.90 0.00 3.13 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.72 4.90 0.00 1.81 1.74 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.52 7.81 47 D 9.22 4.97 0.00 2.65 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 48 A 7.78 3.96 1.35 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 0.00 0.00 0.00 49 C 8.11 4.39 0.00 3.23 3.03 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 50 K 7.89 4.08 0.00 1.94 1.82 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.50 7.81 51 T 7.71 4.22 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 52 C 7.36 4.61 0.00 2.90 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 53 H 7.66 5.05 0.00 3.20 3.21 0.00 5.70 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.10 4.29 0.00 1.75 1.80 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.45 7.81 55 S 7.32 5.35 0.00 4.01 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 56 N 7.56 4.87 0.00 2.69 2.73 0.00 0.00 7.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.25 4.52 0.00 2.90 2.92 0.00 0.00 7.11 7.94 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 58 G 7.32 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 0.00 0.00 0.00 59 P 0.00 4.41 0.00 2.17 2.08 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 60 T 8.46 4.42 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 1.26 0.00 0.00 61 K 7.52 4.46 0.00 1.92 1.96 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.40 7.81 62 C 8.58 3.93 0.00 2.93 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 63 G 9.28 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 64 G 7.76 3.72 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 0.00 0.00 0.00 65 C 7.20 4.12 0.00 2.74 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 66 H 7.70 4.32 0.00 3.17 3.28 0.00 5.93 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.02 3.75 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.72 0.90 0.00 0.00 68 K 8.46 4.20 0.00 1.73 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.36 7.81