NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9214 8.1976 109.7383 44.9630 0.0000 173.8528 2 P 4.0346 0.0000 0.0000 64.1464 31.1850 174.9447 3 Y 4.8401 7.2724 116.0471 57.8875 39.4588 176.4594 4 H 4.4835 7.6674 115.9685 54.5751 29.2273 173.5673 5 P 4.5837 0.0000 0.0000 62.6899 32.1946 175.4505 6 S 4.8351 8.1094 114.0708 56.3582 65.7780 174.1396 7 E 4.2213 8.7284 123.5312 56.5902 29.8027 177.2108 8 C 4.9656 8.5435 120.2500 55.1535 43.8582 173.8789 9 C 4.6810 8.1016 119.5213 55.6115 41.4363 173.3853 10 F 4.3865 8.4831 120.8015 58.4162 41.0954 175.3230 11 T 4.3855 7.6984 117.3190 61.7170 69.1599 173.8298 12 Y 4.6761 8.0960 124.3658 57.3224 38.8307 175.8062 13 T 3.9276 8.5359 117.8060 63.1751 67.7348 174.0130 14 T 4.5737 8.4572 115.4750 61.4444 69.5292 173.6825 15 Y 4.7212 7.2014 119.1685 54.7288 41.0161 174.9779 16 K 2.4800 8.1496 122.6782 55.2951 32.2101 176.8197 17 I 3.9649 7.1171 128.0495 60.5969 37.6678 174.3623 18 P 4.2824 0.0000 0.0000 62.6731 31.9468 177.2327 19 R 3.5279 8.8107 123.5391 59.1982 30.0923 178.3230 20 Q 4.0558 7.9576 114.5218 58.7504 28.6935 177.6239 21 R 4.1294 8.0592 117.4844 57.7135 30.5428 176.0169 22 I 4.6323 7.5619 119.5628 60.7651 37.8782 175.2402 23 M 4.4793 9.0961 125.2165 56.8900 33.8053 175.0635 24 D 4.7759 7.9363 116.3087 54.3799 44.9761 173.4059 25 Y 5.4253 8.2224 117.3059 56.1874 41.0991 173.4997 26 Y 4.7070 8.4264 117.0906 55.4839 41.8719 173.4453 27 E 4.8714 8.7994 122.4764 55.5436 30.7296 176.1443 28 T 4.3810 8.4188 117.1337 61.0096 70.2648 173.7700 29 N 4.1576 8.9575 120.5088 54.2900 39.0705 175.8036 30 S 4.2666 8.6899 119.7454 60.6125 63.2119 175.2052 31 Q 4.1488 8.5537 120.0073 57.8782 27.5348 175.9973 32 C 4.4170 8.0716 116.6570 56.8873 40.7237 175.1436 33 S 4.1435 8.6127 116.8133 60.2435 63.0657 174.5500 34 K 4.6949 6.9959 117.2291 53.3979 35.0967 174.3288 35 P 4.4552 0.0000 0.0000 62.9941 32.1921 176.1453 36 G 4.3130 8.2674 106.8487 45.1699 0.0000 171.5496 37 I 4.7445 8.5448 124.8230 59.1736 39.9392 174.6503 38 V 4.3470 8.1356 128.1278 61.3358 32.8979 174.5632 39 F 5.0488 8.8445 127.3053 56.6903 40.9528 174.7924 40 I 4.9837 8.9721 124.6890 60.1187 39.1102 175.6822 41 T 4.8743 8.8957 118.1493 59.9371 70.8467 175.8000 42 K 3.8493 8.8315 123.5514 59.4636 32.1443 177.2831 43 R 4.3054 8.0821 116.1240 55.8431 29.8676 175.9635 44 G 3.8995 8.1703 103.3201 46.7796 0.0000 173.2962 45 H 4.8537 7.9901 116.2161 54.4777 30.6357 174.4063 46 S 5.2863 8.7311 118.1773 56.8856 65.1629 173.6672 47 V 4.4619 8.8465 124.2768 61.1165 34.2109 173.9500 48 C 5.0236 8.9327 126.2156 57.2140 42.6881 172.8673 49 T 5.0214 8.8942 112.5074 59.8640 72.7237 172.3410 50 N 4.2662 7.8765 121.6090 51.4011 39.3624 173.9759 51 P 4.0416 0.0000 0.0000 64.8401 31.4243 177.1713 52 S 4.2414 7.7960 112.6891 59.1693 63.5797 174.5029 53 D 4.4058 7.7593 123.7208 53.4356 41.9269 176.6912 54 K 3.7841 8.6298 125.5503 59.4496 32.1849 178.7991 55 W 4.1220 8.0762 116.3683 59.4375 27.8513 178.2903 56 V 2.8590 6.2361 118.3529 65.7083 30.8717 177.9593 57 Q 3.8918 7.5260 117.5508 58.8154 28.4805 178.3926 58 D 4.3823 8.4378 120.4437 57.5299 40.8918 178.2939 59 Y 4.3115 8.3269 117.4288 61.3211 37.7066 178.7870 60 I 3.4160 7.6484 118.9849 64.2766 37.2609 178.0204 61 K 4.0352 7.9917 118.0653 60.0575 32.0615 178.7737 62 D 4.5215 7.9681 117.1521 57.3827 40.7854 177.0132 63 M 4.4319 8.1131 122.9100 55.6030 32.1974 176.0255 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 8.20 3.92 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 0.00 0.00 0.00 2 P 0.00 4.03 0.00 1.53 1.85 0.00 3.47 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.57 0.00 3 Y 7.27 4.84 0.00 2.98 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 4 H 7.67 4.48 0.00 3.22 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.24 2.14 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 6 S 8.11 4.84 0.00 3.85 3.79 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 0.00 0.00 0.00 7 E 8.73 4.22 0.00 2.13 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 2.45 2.45 0.00 8 C 8.54 4.97 0.00 2.72 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.10 4.68 0.00 2.76 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 10 F 8.48 4.39 0.00 2.99 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 11 T 7.70 4.39 4.28 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 1.26 0.00 0.00 12 Y 8.10 4.68 0.00 3.01 2.78 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 13 T 8.54 3.93 4.15 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 0.00 0.00 0.00 1.44 0.00 0.00 14 T 8.46 4.57 4.33 0.00 0.00 0.00 0.00 0.00 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 15 Y 7.20 4.72 0.00 2.97 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 16 K 8.15 2.48 0.00 0.79 1.24 0.00 1.28 0.00 0.00 1.39 0.00 0.00 2.59 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.76 0.21 7.81 17 I 7.12 3.96 1.98 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.57 1.03 0.00 0.00 18 P 0.00 4.28 0.00 2.18 1.98 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 19 R 8.81 3.53 0.00 1.41 1.75 0.00 2.38 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.44 0.00 20 Q 7.96 4.06 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 21 R 8.06 4.13 0.00 2.08 2.08 0.00 3.20 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 22 I 7.56 4.63 1.93 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.51 1.16 0.00 0.00 23 M 9.10 4.48 0.00 1.90 2.25 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 24 D 7.94 4.78 0.00 2.81 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.22 5.43 0.00 2.46 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 4.71 0.00 2.91 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 27 E 8.80 4.87 0.00 2.06 1.93 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 2.27 2.45 0.00 28 T 8.42 4.38 4.38 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 1.30 0.00 0.00 29 N 8.96 4.16 0.00 2.75 2.79 0.00 0.00 6.67 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 30 S 8.69 4.27 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 31 Q 8.55 4.15 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.89 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 32 C 8.07 4.42 0.00 3.00 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 33 S 8.61 4.14 0.00 4.04 4.10 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 0.00 0.00 0.00 0.00 34 K 7.00 4.69 0.00 1.53 1.73 0.00 1.38 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.33 7.81 35 P 0.00 4.46 0.00 2.04 1.97 0.00 3.79 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 2.04 2.09 0.00 36 G 8.27 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 37 I 8.54 4.74 1.51 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.67 -0.00 0.00 0.00 38 V 8.14 4.35 0.67 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 0.81 0.00 0.00 0.61 0.00 0.00 39 F 8.84 5.05 0.00 3.17 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 40 I 8.97 4.98 2.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.02 1.01 0.00 0.00 41 T 8.90 4.87 4.42 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 1.40 0.00 0.00 42 K 8.83 3.85 0.00 1.74 1.94 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.47 7.81 43 R 8.08 4.31 0.00 1.85 2.02 0.00 3.45 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 44 G 8.17 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 0.00 0.00 0.00 45 H 7.99 4.85 0.00 3.23 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.73 5.29 0.00 3.82 3.84 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 47 V 8.85 4.46 2.26 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 1.03 0.00 0.00 1.08 0.00 0.00 48 C 8.93 5.02 0.00 3.13 3.09 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 49 T 8.89 5.02 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 1.60 0.00 0.00 50 N 7.88 4.27 0.00 1.44 2.19 0.00 0.00 6.67 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 51 P 0.00 4.04 0.00 2.09 2.02 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 52 S 7.80 4.24 0.00 3.93 3.91 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 53 D 7.76 4.41 0.00 2.24 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 0.00 0.00 0.00 0.00 54 K 8.63 3.78 0.00 1.79 1.82 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.68 1.49 7.81 55 W 8.08 4.12 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.24 2.86 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.67 0.00 0.00 57 Q 7.53 3.89 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 58 D 8.44 4.38 0.00 2.87 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 59 Y 8.33 4.31 0.00 3.12 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 60 I 7.65 3.42 1.83 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.29 0.68 0.00 0.00 61 K 7.99 4.04 0.00 1.99 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.61 7.81 62 D 7.97 4.52 0.00 2.82 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 63 M 8.11 4.43 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.62 0.00