NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4590 8.1933 115.2948 58.1957 62.8789 174.2375 5 S 4.3138 8.5642 124.2645 59.3421 62.7758 174.5523 6 L 3.9694 8.1154 123.8276 58.0326 41.7609 177.7671 7 Y 4.1900 7.8643 118.3792 60.6101 39.0508 177.4752 8 K 4.3350 7.8576 118.2224 58.3497 31.8213 178.9848 9 T 3.9178 7.1154 109.8633 63.8769 69.1344 176.5192 10 F 4.1027 7.4143 118.6990 59.2586 39.5782 177.2196 11 F 4.7569 7.3166 113.5725 55.5621 40.9155 176.2193 12 K 3.7979 8.9461 112.6906 57.0190 28.5877 175.0888 13 R 3.8950 8.3440 113.3261 56.9139 29.8211 176.9385 14 N 4.8555 8.1237 115.1087 51.5618 40.1899 174.7768 15 A 4.2318 8.0267 122.6659 51.0694 19.2395 177.6295 16 V 3.0229 7.5774 119.7471 62.3445 32.3303 176.5878 17 F 4.6995 7.8289 125.3979 56.4988 41.2858 177.0223 18 V 3.3078 8.4441 115.8260 64.7060 31.2887 179.0344 19 G 3.6424 8.0108 104.4486 48.4019 0.0000 175.6735 20 T 3.9764 7.8837 117.8386 66.0502 68.5052 176.9428 21 I 3.6862 7.6390 121.8685 64.4123 37.1497 178.4230 22 F 4.6231 8.7612 118.7262 60.6614 38.6003 177.5627 23 A 3.9734 8.3829 120.5902 55.2643 18.1429 180.0254 24 G 3.6166 8.4946 104.0271 47.6972 0.0000 175.8469 25 A 4.1408 8.2206 123.1967 55.2436 18.5866 179.7499 26 F 4.1115 8.6310 116.0605 60.5233 38.9554 178.1937 27 V 3.7438 7.8508 118.0162 65.9410 31.4489 177.5999 28 F 4.0380 8.6033 120.7977 61.5249 39.1695 176.4915 29 Q 4.0430 8.3968 118.9469 59.8284 28.7107 179.0668 30 T 3.8335 7.5282 115.1834 66.5613 68.5638 176.9100 31 V 3.5075 7.6102 119.9963 66.0510 31.6211 177.5950 32 F 3.9600 8.1956 120.6288 61.3516 38.9624 176.5379 33 D 4.1281 7.8300 117.0031 57.6063 40.9316 178.4247 34 T 3.7985 7.6932 115.5614 66.4869 68.4772 176.4680 35 A 3.9711 7.9574 122.6818 55.2906 18.3116 179.8687 36 I 3.5662 7.4607 118.0631 64.7954 37.0946 178.7494 37 T 3.9567 8.0303 116.7873 66.6882 68.2616 176.7994 38 S 4.1294 8.3926 117.2440 61.3957 62.9066 176.4570 39 W 4.0602 8.1886 130.8578 60.6026 30.3562 177.1833 40 Y 4.1832 8.7764 119.7561 61.0895 38.0956 178.1184 41 E 3.9107 8.3930 118.2366 59.1837 29.8410 178.6799 42 N 4.2979 8.1091 117.2651 56.8791 38.8408 176.5036 43 H 3.7137 7.8007 118.7291 58.1383 29.9366 175.8270 44 N 4.7292 7.2936 117.1224 51.4006 39.4573 174.3296 45 K 4.0746 7.0638 122.1541 58.0838 32.6676 175.4962 46 G 4.1117 9.8068 114.3214 45.6485 0.0000 174.7085 47 K 4.2049 7.4946 117.4372 57.9375 32.9982 178.0556 48 L 4.2685 7.6818 118.2582 54.1663 43.4690 177.7505 49 W 4.4236 8.7764 130.1052 60.4874 30.6428 178.4329 50 K 3.6741 8.0669 118.2626 59.5588 31.2921 178.8028 51 D 4.3359 7.7817 117.4688 57.2212 40.9389 178.5310 52 V 3.6043 7.4827 118.7921 65.6304 31.6108 178.0593 53 K 3.3096 7.4829 119.4958 58.8573 31.5982 178.7203 54 A 3.9441 7.1108 119.2150 54.6231 18.3225 178.8088 55 R 4.2079 7.2632 113.8033 55.6509 30.6821 176.3166 56 I 4.4288 6.8237 119.2328 59.4011 39.8856 175.5626 57 A 4.3718 8.2919 126.0735 51.1570 20.5811 176.1448 58 A 4.2056 8.3360 124.1386 53.2734 19.2971 175.6486 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 4 S 8.19 4.46 0.00 3.91 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 5 S 8.56 4.31 0.00 4.00 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 6 L 8.12 3.97 0.00 1.84 1.79 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 7.86 4.19 0.00 3.24 3.15 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 0.00 8 K 7.86 4.34 0.00 1.75 1.87 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.62 7.81 9 T 7.12 3.92 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 10 F 7.41 4.10 0.00 1.83 1.84 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 11 F 7.32 4.76 0.00 2.22 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.95 3.80 0.00 1.94 1.80 0.00 2.10 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.61 1.31 7.81 13 R 8.34 3.89 0.00 2.12 2.18 0.00 3.06 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 14 N 8.12 4.86 0.00 2.99 2.80 0.00 0.00 6.92 8.08 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 15 A 8.03 4.23 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.58 3.02 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 -0.13 0.00 0.00 17 F 7.83 4.70 0.00 3.18 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 18 V 8.44 3.31 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.81 0.00 0.00 19 G 8.01 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 0.00 0.00 0.00 20 T 7.88 3.98 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 1.34 0.00 0.00 21 I 7.64 3.69 1.88 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 1.58 0.80 0.96 0.00 0.00 22 F 8.76 4.62 0.00 3.06 2.94 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 23 A 8.38 3.97 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 24 G 8.49 3.62 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 0.00 0.00 0.00 25 A 8.22 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.63 4.11 0.00 3.17 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 27 V 7.85 3.74 2.36 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 1.07 0.00 0.00 1.11 0.00 0.00 28 F 8.60 4.04 0.00 3.27 3.25 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 0.00 29 Q 8.40 4.04 0.00 2.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 30 T 7.53 3.83 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 1.22 0.00 0.00 31 V 7.61 3.51 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 0.99 0.00 0.00 1.03 0.00 0.00 32 F 8.20 3.96 0.00 1.81 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 33 D 7.83 4.13 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 7.69 3.80 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 1.21 0.00 0.00 35 A 7.96 3.97 1.29 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 36 I 7.46 3.57 1.52 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.12 0.73 0.00 0.00 37 T 8.03 3.96 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 1.26 0.00 0.00 38 S 8.39 4.13 0.00 4.11 3.95 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 39 W 8.19 4.06 0.00 3.45 3.38 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 0.00 40 Y 8.78 4.18 0.00 3.36 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 41 E 8.39 3.91 0.00 1.97 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 2.42 2.62 0.00 42 N 8.11 4.30 0.00 2.81 2.74 0.00 0.00 6.78 7.17 0.00 0.00 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 H 7.80 3.71 0.00 1.68 2.67 0.00 5.97 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 7.29 4.73 0.00 2.50 2.58 0.00 0.00 6.52 8.32 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 45 K 7.06 4.07 0.00 1.81 1.61 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.32 7.81 46 G 9.81 4.11 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 0.00 0.00 0.00 47 K 7.49 4.20 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.35 7.81 48 L 7.68 4.27 0.00 1.94 1.61 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.78 4.42 0.00 3.37 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 50 K 8.07 3.67 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.57 7.81 51 D 7.78 4.34 0.00 2.71 2.64 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 52 V 7.48 3.60 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.07 0.00 0.00 53 K 7.48 3.31 0.00 0.79 1.20 0.00 1.56 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.17 1.10 7.81 54 A 7.11 3.94 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 55 R 7.26 4.21 0.00 1.80 1.92 0.00 3.06 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 56 I 6.82 4.43 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.92 0.00 0.00 57 A 8.29 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.34 4.21 1.21 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 0.00 0.00