NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3640 8.2393 119.7085 56.1441 31.8149 174.8466 2 K 4.3946 7.5553 115.4487 54.5478 35.3311 174.1618 3 G 3.8805 8.1958 104.1003 46.3142 0.0000 174.2446 4 H 4.5622 7.4031 120.8990 55.4848 31.3310 173.0696 5 F 5.0694 8.6524 129.0292 56.2253 41.3032 174.6205 6 S 4.7542 8.3973 118.5208 57.9339 66.6196 173.5679 7 R 4.6810 8.7221 124.1161 54.9306 31.0366 175.9431 8 C 4.3432 8.7479 123.0606 59.5517 28.8438 172.5528 9 P 4.6073 0.0000 0.0000 61.7829 32.2517 177.2651 10 K 3.9871 8.5059 119.2483 59.2867 32.2302 178.3233 11 Q 4.0157 8.0958 118.3169 58.0373 29.0718 175.7692 12 Y 4.5154 7.6598 113.5298 58.0301 39.0209 175.9815 13 K 3.6527 7.6196 120.0712 56.4429 31.9827 178.2662 14 H 4.4051 7.4863 116.0923 57.4786 29.4635 176.3391 15 Y 4.5493 6.5976 115.3600 57.3299 38.3632 175.9857 16 C 4.9044 6.9753 116.2869 59.3431 30.6978 173.7051 17 I 3.8655 8.6418 125.6837 62.9507 37.2735 177.5413 18 K 4.6214 7.6010 120.6235 54.8518 31.0186 174.7864 19 G 4.3084 7.5809 104.8958 46.3398 0.0000 172.8230 20 R 4.7833 8.3055 120.3743 55.1152 33.5937 175.0072 21 C 4.9262 8.3150 118.1173 58.8625 35.2494 172.3747 22 R 4.8959 8.8510 125.8246 54.5003 32.0440 174.7998 23 F 4.8306 8.8739 127.0316 56.4140 41.3748 174.3990 24 V 4.4140 8.1881 127.5945 62.2953 31.4986 175.8629 25 V 3.8407 9.0166 128.8474 65.3715 32.2042 176.5304 26 A 4.0746 7.9942 122.5486 54.8427 18.4989 177.5256 27 E 4.3980 7.8360 119.2128 53.6976 28.8795 171.1321 28 Q 4.1030 7.9927 125.1695 55.2303 28.8406 176.4485 29 T 4.4711 8.4505 120.4627 61.3887 71.1608 170.0044 30 P 3.5176 0.0000 0.0000 61.5849 30.2628 175.0094 31 S 4.5123 8.5613 123.3893 57.9796 64.4296 172.2050 32 C 4.9403 8.3614 120.5596 56.6290 31.5472 173.4259 33 V 4.2773 8.3997 124.1291 61.6593 33.5882 174.1227 34 C 4.8172 7.8494 120.2948 57.1352 32.5560 173.3956 35 D 4.1965 8.1411 120.0775 54.8884 41.0035 176.9732 36 E 3.9683 9.1918 126.1304 59.5522 30.2044 178.0030 37 G 4.2707 7.9680 106.3336 46.6856 0.0000 172.5543 38 Y 5.3838 8.3600 116.3154 55.1159 41.7699 175.7323 39 I 4.0698 8.3797 119.3463 60.3066 42.1556 175.7763 40 G 4.0797 8.6175 109.7837 45.4914 0.0000 174.7624 41 A 3.9947 8.4093 123.7538 55.0105 18.8370 178.9715 42 R 4.4957 8.0514 112.4185 55.9859 31.2251 175.6675 43 C 4.2336 7.8257 115.0224 61.0901 25.3419 173.2223 44 E 4.4209 8.0146 119.5873 57.0557 31.8811 176.9283 45 R 4.7148 7.9638 118.5170 54.9690 32.7312 175.8184 46 V 4.8903 7.9868 118.4014 60.0029 34.2306 175.1114 47 D 4.8271 8.4340 121.6667 52.4787 40.1968 174.8041 48 L 4.7740 7.5835 116.4575 54.3046 43.3400 176.8084 49 F 3.8577 8.8196 121.5320 61.2034 39.5136 174.3142 50 Y 4.2286 8.7366 120.9720 58.5823 37.6565 176.2405 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 R 8.24 4.36 0.00 1.82 2.02 0.00 3.12 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 2 K 7.56 4.39 0.00 1.87 1.74 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.55 7.81 3 G 8.20 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 0.00 0.00 0.00 4 H 7.40 4.56 0.00 2.88 2.93 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.65 5.07 0.00 3.08 2.97 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 6 S 8.40 4.75 0.00 4.08 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 7 R 8.72 4.68 0.00 1.75 1.93 0.00 3.26 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 8 C 8.75 4.34 0.00 3.22 3.21 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 9 P 0.00 4.61 0.00 2.31 2.27 0.00 3.84 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.10 0.00 10 K 8.51 3.99 0.00 1.86 1.83 0.00 1.61 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.48 7.81 11 Q 8.10 4.02 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.01 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 12 Y 7.66 4.52 0.00 3.10 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 13 K 7.62 3.65 0.00 1.94 1.79 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.64 7.81 14 H 7.49 4.41 0.00 3.02 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 6.60 4.55 0.00 3.08 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 C 6.98 4.90 0.00 3.29 3.12 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 0.00 0.00 0.00 0.00 17 I 8.64 3.87 2.20 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 1.24 0.46 0.91 0.00 0.00 18 K 7.60 4.62 0.00 1.91 1.99 0.00 1.41 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.49 7.81 19 G 7.58 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 0.00 0.00 0.00 0.00 20 R 8.31 4.78 0.00 1.74 1.89 0.00 3.35 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 21 C 8.31 4.93 0.00 3.25 3.01 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 22 R 8.85 4.90 0.00 1.69 1.75 0.00 3.28 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 23 F 8.87 4.83 0.00 3.17 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 24 V 8.19 4.41 2.31 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 1.07 0.00 0.00 0.94 0.00 0.00 25 V 9.02 3.84 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 0.81 0.00 0.00 0.93 0.00 0.00 26 A 7.99 4.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.84 4.40 0.00 2.09 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 2.30 2.29 0.00 28 Q 7.99 4.10 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 29 T 8.45 4.47 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 1.10 0.00 0.00 30 P 0.00 3.52 0.00 1.51 0.49 0.00 3.49 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 31 S 8.56 4.51 0.00 3.80 3.74 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 32 C 8.36 4.94 0.00 2.85 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 33 V 8.40 4.28 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 0.94 0.00 0.00 0.86 0.00 0.00 34 C 7.85 4.82 0.00 1.23 1.24 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 0.00 35 D 8.14 4.20 0.00 3.04 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 36 E 9.19 3.97 0.00 1.99 2.04 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 2.32 2.34 0.00 37 G 7.97 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 38 Y 8.36 5.38 0.00 3.05 2.97 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 39 I 8.38 4.07 1.78 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 1.08 1.14 0.80 0.00 0.00 40 G 8.62 4.08 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 0.00 0.00 0.00 41 A 8.41 3.99 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 R 8.05 4.50 0.00 1.93 2.00 0.00 3.29 0.00 0.00 3.38 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.73 0.00 43 C 7.83 4.23 0.00 3.33 3.24 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 0.00 44 E 8.01 4.42 0.00 1.98 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 2.21 2.32 0.00 45 R 7.96 4.71 0.00 1.93 1.82 0.00 3.13 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 46 V 7.99 4.89 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 0.65 0.00 0.00 1.04 0.00 0.00 47 D 8.43 4.83 0.00 2.68 2.61 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 48 L 7.58 4.77 0.00 1.69 1.66 0.96 0.86 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 49 F 8.82 3.86 0.00 3.20 3.16 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 0.00 50 Y 8.74 4.23 0.00 3.03 3.05 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