NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.4183 8.2827 118.1127 53.1066 39.3970 177.1340 2 S 3.6423 8.8296 118.9767 58.4187 62.3138 168.5856 3 Y 3.1961 8.2370 112.4103 58.6092 35.7228 168.0165 4 P 4.3086 0.0000 0.0000 65.2407 31.6632 176.1208 5 G 3.8102 7.7877 113.5635 45.2549 0.0000 170.3571 6 C 4.9210 8.5094 113.9977 53.5028 39.8784 171.6919 7 P 4.0903 0.0000 0.0000 62.9832 29.9406 177.2827 8 S 4.3495 8.9799 119.6659 61.7036 62.9223 176.7154 9 S 3.9933 8.0104 115.0316 61.3063 62.1910 174.3289 10 Y 4.0583 7.8929 119.2839 56.4937 38.1354 175.4517 11 D 4.3198 7.9216 119.9132 53.7822 41.0733 175.0279 12 G 5.2907 6.7032 118.3424 46.7648 0.0000 173.3218 13 Y 4.6851 7.8647 119.3359 58.7934 41.4613 176.2967 14 C 3.8058 8.0022 116.8992 56.6038 39.0811 172.9379 15 L 4.3566 7.9559 124.3911 54.1128 43.0064 176.3348 16 N 3.7350 9.5936 111.9407 54.8538 35.4905 174.8710 17 G 3.3573 7.8999 116.5971 45.7403 0.0000 173.0528 18 G 3.6714 6.9374 107.0550 44.3830 0.0000 174.7653 19 V 3.9744 8.0661 128.0638 62.1310 32.6649 172.6395 20 C 4.9400 8.7268 123.8737 55.2452 37.2420 173.0430 21 M 4.6680 9.1915 124.3395 54.3641 34.4152 175.4512 22 H 4.9508 8.5185 120.5612 54.9394 31.9362 172.3975 23 I 3.9202 8.2182 126.5047 60.2769 36.7201 176.4707 24 E 3.8882 8.8635 127.7020 59.2169 28.9729 177.7564 25 S 3.7387 7.5541 110.1774 63.2190 63.3653 174.4660 26 L 4.1607 7.9657 119.7578 55.0334 42.2146 177.3028 27 D 4.5667 7.9647 116.9092 55.0173 39.2913 174.4734 28 S 4.0973 7.1467 113.4210 58.1828 63.9121 172.4061 29 Y 5.0978 7.6643 114.9867 57.5976 42.0091 174.5191 30 T 4.5029 8.5164 113.7805 61.6509 71.7084 171.4034 31 C 5.0132 8.9844 125.7344 55.6406 35.8490 173.0764 32 N 4.5697 9.1689 125.1219 52.0126 38.7489 174.8701 33 C 4.7557 8.4223 128.9942 56.5507 36.0677 171.6166 34 V 3.9645 7.6851 121.2286 63.7755 34.6002 173.6455 35 I 3.9398 7.7406 115.7447 59.8184 36.3896 176.7224 36 G 3.9047 6.6556 115.6780 45.6047 0.0000 171.1896 37 Y 5.5571 7.4782 118.5879 56.3606 41.8292 174.4446 38 S 4.7312 8.6762 121.1797 58.6895 67.0336 172.8011 39 G 4.3528 8.8570 107.1806 46.1503 0.0000 171.7853 40 D 4.1433 8.9923 117.4631 58.6307 40.0506 178.4553 41 R 4.1421 8.7454 122.9589 58.1498 31.3822 179.4093 42 C 4.9888 7.3091 111.6187 56.6324 42.3340 174.9320 43 Q 4.2621 8.5918 114.4244 57.5238 28.3526 176.8510 44 T 4.3601 8.4673 119.0355 62.6647 67.5215 172.9653 45 R 5.0998 8.0724 124.9320 54.5768 29.0483 174.6878 46 D 4.9090 8.0044 123.7796 51.7214 43.6638 177.4651 47 L 4.2392 8.2969 119.1001 54.8923 39.8812 176.5223 48 R 4.2855 6.6815 117.1164 55.5060 33.2904 177.9607 49 W 4.3256 8.4765 119.6971 59.8016 31.8212 175.4572 50 W 3.7339 8.5094 120.9950 57.4573 28.7024 179.3724 51 E 3.1921 6.9958 116.1911 55.3876 29.1732 174.9052 52 L 4.9258 8.0489 121.9253 54.1661 45.6528 173.4641 53 R 4.1705 8.8122 124.0337 56.7499 30.7023 173.9868 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 N 8.28 4.42 0.00 2.74 2.59 0.00 0.00 6.66 6.20 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 2 S 8.83 3.64 0.00 3.99 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 3 Y 8.24 3.20 0.00 3.16 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 4 P 0.00 4.31 0.00 2.08 2.06 0.00 3.68 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 2.04 2.08 0.00 5 G 7.79 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.51 4.92 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.09 0.00 1.85 1.83 0.00 3.45 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.81 0.00 8 S 8.98 4.35 0.00 3.84 3.94 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 0.00 0.00 0.00 0.00 9 S 8.01 3.99 0.00 3.54 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 10 Y 7.89 4.06 0.00 3.13 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 11 D 7.92 4.32 0.00 3.06 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 12 G 6.70 5.29 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 0.00 13 Y 7.86 4.69 0.00 2.91 3.14 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 0.00 0.00 0.00 0.00 14 C 8.00 3.81 0.00 2.78 2.84 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 15 L 7.96 4.36 0.00 1.65 1.59 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.59 3.74 0.00 2.95 3.17 0.00 0.00 7.46 7.77 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 17 G 7.90 3.36 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 0.00 0.00 0.00 0.00 18 G 6.94 3.67 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 0.00 0.00 0.00 19 V 8.07 3.97 2.02 0.00 0.00 0.00 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 0.91 0.00 0.00 20 C 8.73 4.94 0.00 2.86 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 21 M 9.19 4.67 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 22 H 8.52 4.95 0.00 3.37 3.51 0.00 5.74 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.22 3.92 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.34 0.89 0.00 0.00 24 E 8.86 3.89 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 25 S 7.55 3.74 0.00 3.87 3.76 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 26 L 7.97 4.16 0.00 1.69 1.64 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.96 4.57 0.00 2.76 2.71 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 0.00 0.00 0.00 0.00 28 S 7.15 4.10 0.00 3.70 3.67 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 29 Y 7.66 5.10 0.00 3.10 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 30 T 8.52 4.50 4.29 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 1.23 0.00 0.00 31 C 8.98 5.01 0.00 2.68 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 32 N 9.17 4.57 0.00 2.68 2.67 0.00 0.00 6.76 7.60 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 33 C 8.42 4.76 0.00 3.03 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 34 V 7.69 3.96 1.61 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 0.63 0.00 0.00 0.74 0.00 0.00 35 I 7.74 3.94 1.80 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.14 0.62 0.00 0.00 36 G 6.66 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 37 Y 7.48 5.56 0.00 2.98 2.63 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 0.00 0.00 0.00 0.00 38 S 8.68 4.73 0.00 3.85 3.76 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 39 G 8.86 4.35 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 0.00 40 D 8.99 4.14 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.75 4.14 0.00 1.66 1.66 0.00 3.27 0.00 0.00 3.50 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.69 0.00 42 C 7.31 4.99 0.00 2.97 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 43 Q 8.59 4.26 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.70 7.28 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 44 T 8.47 4.36 4.39 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 0.00 0.00 0.00 1.30 0.00 0.00 45 R 8.07 5.10 0.00 2.12 2.03 0.00 3.28 0.00 0.00 4.01 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 46 D 8.00 4.91 0.00 2.60 2.63 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 0.00 0.00 0.00 0.00 47 L 8.30 4.24 0.00 1.63 1.60 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 R 6.68 4.29 0.00 1.85 1.65 0.00 2.91 0.00 0.00 3.15 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.46 0.00 49 W 8.48 4.33 0.00 2.52 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 0.00 0.00 0.00 0.00 50 W 8.51 3.73 0.00 3.48 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 51 E 7.00 3.19 0.00 1.94 1.75 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 2.27 2.24 0.00 52 L 8.05 4.93 0.00 1.79 1.63 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.81 4.17 0.00 1.92 1.89 0.00 3.44 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.27 0.00