NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3960 8.3001 118.1848 55.1598 32.5674 174.5943 2 A 4.2863 8.1526 123.7451 51.2481 22.1111 174.0085 3 N 4.4127 9.7999 120.4496 54.4217 38.3818 172.5725 4 L 4.7286 7.4418 114.7084 53.9275 42.8665 179.0309 5 R 3.8629 8.1491 120.8892 59.7850 30.4971 178.3913 6 T 3.9237 7.9017 112.0148 64.8601 67.7193 175.6270 7 Q 4.1883 7.8358 118.9346 57.3665 29.8383 178.0847 8 K 3.9964 8.0542 118.1169 59.2155 32.0469 179.2667 9 R 3.8907 7.8294 118.5214 59.4633 29.9856 178.6330 10 L 4.0041 8.1896 118.7955 57.6912 41.3847 179.3350 11 A 4.0232 7.9250 120.2699 55.0037 18.3075 179.5850 12 A 3.8501 7.9647 119.0458 55.2755 18.3039 179.8284 13 S 4.0820 8.0224 112.0096 61.3698 62.2834 176.5226 14 V 3.8118 7.5903 120.0695 63.4171 31.5066 177.6609 15 V 4.2684 7.1820 110.8463 59.5159 33.3211 175.6020 16 G 3.9833 7.6379 107.5521 46.2354 0.0000 172.5012 17 V 4.5270 7.9926 116.4528 60.0591 35.1949 176.4483 18 G 3.7519 8.4836 107.4686 46.1267 0.0000 174.6740 19 K 4.1950 8.2376 118.8807 56.1218 30.0940 177.6030 20 R 4.1163 7.7840 118.0448 59.1929 30.4319 177.4304 21 K 4.3471 8.1492 117.2182 59.2957 33.0685 178.1979 22 V 4.0899 7.8972 118.3210 61.7435 31.9851 175.5296 23 W 5.0191 9.1158 132.5772 55.6168 34.0073 173.8097 24 L 4.5509 7.4936 124.9921 52.3390 44.2517 175.8557 25 D 3.3700 7.5899 123.7684 53.5607 41.1949 174.7488 26 P 4.2602 0.0000 0.0000 65.4590 31.9058 177.4974 27 N 4.4476 8.3250 115.6898 56.2096 39.3096 175.5745 28 E 4.6618 7.9931 116.4690 56.4006 30.2119 178.1692 29 T 3.7917 7.9009 116.0612 65.3805 67.0683 175.3983 30 S 4.1287 7.9033 116.0572 61.5130 63.2250 175.8990 31 E 4.1662 8.0273 120.5394 58.8742 29.0366 179.2629 32 I 3.8407 7.6588 118.9234 64.1093 37.3475 177.7343 33 A 4.1251 7.7412 120.3215 53.5349 19.5673 178.4919 34 Q 4.3810 7.2218 118.6770 54.7038 25.8327 173.2388 35 A 4.3542 7.6343 122.4390 49.1798 21.7268 177.5651 36 N 4.5799 7.0216 118.2670 52.1843 38.5981 174.3651 37 S 4.7693 7.4288 110.5124 55.9553 65.6017 174.3065 38 R 4.3902 8.4849 121.3716 56.9695 30.2190 177.2306 39 N 4.7700 7.9159 115.4879 53.6787 39.3764 175.7833 40 A 4.2835 7.7373 121.9570 55.2925 18.8651 178.9690 41 I 3.9560 7.4878 109.3754 63.0836 38.0455 178.5901 42 R 3.9288 7.8934 120.3494 59.0600 29.9564 178.4823 43 K 3.9666 7.5926 119.7869 59.5536 32.2469 178.9276 44 L 4.0315 7.6435 118.3744 57.7006 41.6435 179.7062 45 V 3.9600 7.7574 119.5907 65.4362 31.2739 178.0966 46 K 4.0856 7.7773 117.9028 59.4186 32.0845 178.2564 47 N 4.5599 7.9418 116.3812 55.8634 38.5019 176.1168 48 G 4.2624 7.4288 105.7299 45.6199 0.0000 174.6100 49 T 4.3343 8.3704 118.8234 65.2470 69.7725 174.5322 50 I 4.9439 7.9176 122.1895 59.6311 40.4648 175.3405 51 V 4.6884 8.8167 119.2101 59.3955 36.4278 174.0808 52 K 4.8462 8.4566 121.3588 54.8590 34.8322 176.0539 53 K 4.2692 8.3044 124.3813 56.5087 31.8594 176.2664 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 4.40 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 2 A 8.15 4.29 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 3 N 9.80 4.41 0.00 2.85 2.94 0.00 0.00 6.98 7.78 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 4 L 7.44 4.73 0.00 1.69 1.59 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.15 3.86 0.00 1.83 1.91 0.00 3.17 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 6 T 7.90 3.92 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 1.26 0.00 0.00 7 Q 7.84 4.19 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 8 K 8.05 4.00 0.00 2.04 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.57 7.81 9 R 7.83 3.89 0.00 2.01 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 10 L 8.19 4.00 0.00 1.76 1.69 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 11 A 7.92 4.02 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 12 A 7.96 3.85 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.08 0.00 4.09 4.01 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 0.00 0.00 0.00 14 V 7.59 3.81 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 15 V 7.18 4.27 2.10 0.00 0.00 0.00 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 1.05 0.00 0.00 16 G 7.64 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 17 V 7.99 4.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.95 0.00 0.00 18 G 8.48 3.75 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 0.00 0.00 0.00 19 K 8.24 4.20 0.00 1.82 2.32 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.36 7.81 20 R 7.78 4.12 0.00 1.76 1.96 0.00 3.31 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 21 K 8.15 4.35 0.00 1.78 1.87 0.00 1.74 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.55 1.46 7.81 22 V 7.90 4.09 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 0.69 0.00 0.00 1.03 0.00 0.00 23 W 9.12 5.02 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.55 0.00 1.19 1.23 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.59 3.37 0.00 2.66 2.41 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 0.00 26 P 0.00 4.26 0.00 2.06 2.03 0.00 3.70 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 27 N 8.33 4.45 0.00 2.68 3.02 0.00 0.00 6.87 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 28 E 7.99 4.66 0.00 2.06 1.90 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 2.24 2.34 0.00 29 T 7.90 3.79 4.37 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 1.17 0.00 0.00 30 S 7.90 4.13 0.00 3.86 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 31 E 8.03 4.17 0.00 2.09 1.98 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 2.31 2.48 0.00 32 I 7.66 3.84 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.61 0.87 0.00 0.00 33 A 7.74 4.13 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 34 Q 7.22 4.38 0.00 2.07 2.16 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 2.29 2.39 0.00 35 A 7.63 4.35 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 36 N 7.02 4.58 0.00 2.84 3.02 0.00 0.00 6.84 7.44 0.00 0.00 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 S 7.43 4.77 0.00 3.84 3.64 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 0.00 0.00 0.00 0.00 38 R 8.48 4.39 0.00 1.82 1.96 0.00 3.23 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 39 N 7.92 4.77 0.00 2.81 2.77 0.00 0.00 7.10 8.15 0.00 0.00 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 A 7.74 4.28 1.37 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 0.00 0.00 41 I 7.49 3.96 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 1.66 0.60 0.91 0.00 0.00 42 R 7.89 3.93 0.00 2.07 2.02 0.00 3.27 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 43 K 7.59 3.97 0.00 1.94 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 44 L 7.64 4.03 0.00 1.92 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.76 3.96 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 1.29 0.00 0.00 1.03 0.00 0.00 46 K 7.78 4.09 0.00 1.83 1.83 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.49 7.81 47 N 7.94 4.56 0.00 2.92 2.90 0.00 0.00 7.27 7.71 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 48 G 7.43 4.26 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 0.00 49 T 8.37 4.33 4.36 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 1.27 0.00 0.00 50 I 7.92 4.94 1.94 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 1.36 0.84 1.04 0.00 0.00 51 V 8.82 4.69 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 0.70 0.00 0.00 0.66 0.00 0.00 52 K 8.46 4.85 0.00 1.73 1.64 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.46 7.81 53 K 8.30 4.27 0.00 1.93 1.68 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.50 7.81