NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.1703 8.0433 122.7523 55.1287 43.8392 175.8279 2 E 5.1985 8.4309 125.8651 54.6447 28.7938 173.9229 3 C 4.6575 8.8880 123.7862 56.1685 43.7896 171.1560 4 H 5.3541 8.5369 116.5045 54.1168 30.6470 175.6426 5 N 4.9411 8.2284 117.0323 51.9691 37.0615 175.1723 6 Q 4.5365 7.9792 117.0328 55.0510 30.2583 175.2340 7 Q 4.5937 8.3946 120.5628 55.8041 30.0224 177.6970 8 S 3.7831 8.1929 115.4069 58.7394 61.5903 172.2358 9 S 4.6405 8.3174 115.8249 59.2059 63.2698 174.3783 10 Q 4.1345 7.1927 120.7698 55.6893 29.5942 175.2511 11 A 3.9147 8.3874 121.6987 52.2758 18.0087 175.5767 12 P 4.5511 0.0000 0.0000 63.3366 32.3028 175.0979 13 T 4.7243 8.0017 113.5766 61.7492 70.2181 172.2496 14 T 4.9706 8.1798 113.7755 60.2723 72.1530 172.6436 15 K 4.4985 8.4369 122.9000 56.0880 36.3765 173.6941 16 T 5.5441 8.3177 117.6693 59.8431 69.4183 173.8837 17 C 5.0008 8.7339 124.5374 55.2799 42.8585 174.2695 18 S 4.5153 9.8088 116.7740 53.9869 61.3821 173.6211 19 G 4.4317 7.5242 122.2415 46.9915 0.0000 170.1248 20 E 4.1105 7.5459 122.4806 56.2272 30.4810 177.2762 21 T 4.3924 8.4802 117.9263 63.8374 70.4551 174.5669 22 N 5.1623 7.9051 117.6199 51.4505 40.6291 175.1073 23 C 5.7043 8.7538 119.0959 56.3904 40.3098 171.3669 24 Y 5.1333 7.4617 116.4143 57.5653 41.8714 173.5949 25 K 5.1602 9.2646 120.3123 55.8202 35.7013 174.5908 26 K 5.0445 9.4712 127.7097 55.2661 35.9219 174.9439 27 W 5.5064 8.7272 117.6625 56.9760 32.2086 172.6462 28 W 5.3590 7.5768 116.4075 56.3396 31.1125 173.4347 29 S 5.0916 8.9244 115.6315 56.8875 62.3056 174.0529 30 D 4.8316 9.1244 126.0607 51.5528 41.3475 177.6499 31 H 4.5116 8.4630 113.9431 58.8176 28.3725 177.0282 32 R 4.2379 7.4870 118.1568 57.2110 31.3213 176.6384 33 G 4.2230 6.9787 107.4140 45.5086 0.0000 173.8874 34 T 5.5689 8.0192 121.9437 60.5303 71.3273 172.3884 35 I 4.5657 7.5058 125.0704 59.2702 41.7515 174.3146 36 I 5.0942 7.7449 116.9915 59.3103 40.8289 173.7138 37 E 5.1101 9.6163 123.6871 54.7551 33.4723 174.5090 38 R 5.1564 9.2152 117.9310 54.6744 34.3907 174.6090 39 G 4.4721 7.1019 109.3291 46.2810 0.0000 173.1019 40 C 4.7270 8.7942 119.3637 57.3681 40.3433 174.1430 41 G 3.8009 6.8594 114.5933 46.6856 0.0000 171.0597 42 C 5.0114 8.0108 113.4038 55.5032 44.6857 171.9860 43 P 4.4648 0.0000 0.0000 61.8509 33.5886 174.8262 44 K 4.6298 7.9611 116.5283 55.6962 35.7990 175.1480 45 V 4.3729 7.5814 110.7074 60.4366 35.0160 174.1895 46 K 4.1647 8.3231 120.8693 55.1145 32.7467 174.9511 47 P 4.2232 0.0000 0.0000 62.9563 31.5349 174.8374 48 G 3.5018 8.3298 114.8729 44.8993 0.0000 173.7251 49 V 4.4634 7.0326 119.2010 61.0025 33.4896 175.2831 50 N 4.6024 8.7779 124.9632 52.5765 40.2617 173.8297 51 L 4.6370 7.6289 121.4621 54.2783 45.4908 174.0695 52 N 4.9265 8.7317 121.4777 52.1881 40.6773 173.4281 53 C 5.3628 8.9643 121.3731 56.9622 40.7577 171.5134 54 C 5.0219 9.1859 114.0021 54.3806 45.0827 174.0967 55 R 4.8594 8.4245 117.4737 56.4947 30.9135 175.9452 56 T 4.7167 7.5210 112.4543 61.2642 72.4073 173.6218 57 D 4.5370 8.6394 124.1668 55.7822 41.4079 176.5477 58 R 3.8344 8.4228 121.1821 57.1435 28.3038 176.2173 59 C 4.4100 8.1831 115.3276 57.8944 41.7211 173.6577 60 N 4.9456 7.9146 116.7348 52.4419 37.6224 174.4864 61 N 4.3588 7.8872 121.9213 54.1012 37.3454 174.4563 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 L 8.04 4.17 0.00 1.73 1.57 0.96 0.77 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 2 E 8.43 5.20 0.00 2.04 1.82 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 2.24 2.17 0.00 3 C 8.89 4.66 0.00 2.81 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 4 H 8.54 5.35 0.00 3.26 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.23 4.94 0.00 2.76 2.79 0.00 0.00 5.87 7.39 0.00 0.00 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 Q 7.98 4.54 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 7 Q 8.39 4.59 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.03 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 8 S 8.19 3.78 0.00 4.02 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 9 S 8.32 4.64 0.00 3.92 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 10 Q 7.19 4.13 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 11 A 8.39 3.91 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 0.00 0.00 12 P 0.00 4.55 0.00 1.92 1.97 0.00 3.74 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 13 T 8.00 4.72 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 1.31 0.00 0.00 14 T 8.18 4.97 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 1.20 0.00 0.00 15 K 8.44 4.50 0.00 1.76 1.62 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.36 7.81 16 T 8.32 5.54 4.22 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 1.20 0.00 0.00 17 C 8.73 5.00 0.00 2.85 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.81 4.52 0.00 3.93 3.85 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 0.00 0.00 0.00 19 G 7.52 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.55 4.11 0.00 1.95 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 2.50 2.43 0.00 21 T 8.48 4.39 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 1.22 0.00 0.00 22 N 7.91 5.16 0.00 2.77 2.92 0.00 0.00 6.17 7.72 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 23 C 8.75 5.70 0.00 2.81 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 24 Y 7.46 5.13 0.00 3.12 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 25 K 9.26 5.16 0.00 2.07 2.13 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.56 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.66 7.81 26 K 9.47 5.04 0.00 2.08 1.91 0.00 1.86 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.41 1.79 7.81 27 W 8.73 5.51 0.00 3.25 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 28 W 7.58 5.36 0.00 3.42 3.35 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 29 S 8.92 5.09 0.00 3.83 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 30 D 9.12 4.83 0.00 2.79 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 31 H 8.46 4.51 0.00 3.27 3.55 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.49 4.24 0.00 2.11 2.09 0.00 3.29 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 33 G 6.98 4.22 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 0.00 34 T 8.02 5.57 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 1.18 0.00 0.00 35 I 7.51 4.57 0.63 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.90 0.75 0.00 0.00 36 I 7.74 5.09 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.85 0.74 0.00 0.00 37 E 9.62 5.11 0.00 2.22 2.25 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 2.55 2.63 0.00 38 R 9.22 5.16 0.00 1.70 1.82 0.00 3.47 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 39 G 7.10 4.47 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 0.00 0.00 0.00 40 C 8.79 4.73 0.00 2.93 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 41 G 6.86 3.80 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 0.00 0.00 0.00 42 C 8.01 5.01 0.00 2.99 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 43 P 0.00 4.46 0.00 2.08 2.02 0.00 3.34 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 1.50 1.75 0.00 44 K 7.96 4.63 0.00 1.65 1.68 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.27 1.36 7.81 45 V 7.58 4.37 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.87 0.00 0.00 46 K 8.32 4.16 0.00 1.70 1.65 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.34 7.81 47 P 0.00 4.22 0.00 2.00 2.00 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 48 G 8.33 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.03 4.46 1.94 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 0.85 0.00 0.00 0.62 0.00 0.00 50 N 8.78 4.60 0.00 1.44 2.08 0.00 0.00 6.09 6.98 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 51 L 7.63 4.64 0.00 1.39 1.28 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.73 4.93 0.00 2.92 2.93 0.00 0.00 7.70 8.14 0.00 0.00 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 C 8.96 5.36 0.00 2.95 3.26 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 54 C 9.19 5.02 0.00 2.97 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.42 4.86 0.00 1.79 1.94 0.00 3.16 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 1.54 1.62 0.00 56 T 7.52 4.72 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 1.22 0.00 0.00 57 D 8.64 4.54 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 3.83 0.00 2.07 2.06 0.00 3.17 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.44 0.00 59 C 8.18 4.41 0.00 3.14 3.28 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 60 N 7.91 4.95 0.00 2.89 3.02 0.00 0.00 6.22 8.11 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 61 N 7.89 4.36 0.00 2.79 2.98 0.00 0.00 6.63 7.64 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