NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4672 8.1933 115.4125 58.1089 65.7158 175.4499 9 I 3.5854 7.6393 122.0762 63.0521 37.0375 176.9175 10 A 3.9780 8.0740 121.5385 55.0979 18.7768 179.0710 11 Q 3.8575 7.9229 117.4023 59.1127 29.2217 177.6989 12 A 3.9463 8.4015 122.1989 55.4509 18.3583 179.6067 13 R 3.8495 8.0418 116.1895 59.5663 30.3449 179.3122 14 K 3.8859 8.0623 117.9929 59.3792 31.9606 179.1249 15 L 3.9912 8.3706 120.7186 58.1408 42.1366 178.6950 16 V 3.5620 8.3469 118.6144 66.5785 31.4842 177.8777 17 E 4.2131 8.4307 117.8268 59.1835 29.1535 179.3976 18 Q 3.9372 7.5968 118.5179 59.0771 29.1612 177.8004 19 L 4.0146 8.2388 120.4157 57.7896 41.6272 179.6514 20 K 3.9015 8.6198 118.6509 59.6916 31.7672 179.1910 21 M 4.0098 7.5972 117.4856 58.5078 32.0141 178.1928 22 E 4.0549 8.3801 118.1519 59.1603 29.8595 178.3946 23 A 4.1277 8.5265 121.0548 54.7907 19.9797 178.4869 24 N 4.7157 8.4869 115.5034 52.4312 36.7971 174.6497 25 I 4.7337 7.0363 111.8956 58.5426 41.6290 177.1176 26 D 4.6843 8.3723 121.4690 53.5660 36.5827 175.8898 27 R 4.2186 7.5819 124.3834 57.0349 31.3370 175.7467 28 I 4.7088 7.6283 118.5888 58.8873 41.5045 175.8603 29 K 4.3610 8.2311 120.8453 55.7916 34.1948 178.5679 30 V 3.6588 8.2246 120.5819 66.1085 31.4307 178.5091 31 S 3.8716 8.0386 113.7791 61.1993 62.7432 176.6003 32 K 3.9150 7.9576 121.3151 59.1466 31.9189 178.7046 33 A 3.9717 7.9748 120.7232 55.3543 18.2197 179.5373 34 A 3.9109 8.9213 119.9100 55.1759 18.3893 179.4675 35 A 3.9413 8.1476 119.4111 55.7420 18.4316 179.5118 36 D 4.0964 8.3705 117.3464 57.5144 40.7572 179.3435 37 L 4.0156 7.6834 119.3750 58.1106 41.7301 179.2200 38 M 4.0380 8.2886 118.5608 58.7209 31.8898 178.1293 39 A 3.9457 8.8978 121.6412 55.6256 18.4316 178.6679 40 Y 3.8894 8.9597 116.8689 61.1234 38.9357 178.6507 41 C 4.2708 8.5350 117.3329 63.1530 28.1317 175.9670 42 E 3.9968 8.6581 119.1410 59.4394 29.0820 179.1671 43 A 4.0506 8.3149 120.6481 54.3820 18.6718 178.3450 44 H 4.6368 7.6832 111.4195 55.3180 29.6231 175.8990 45 A 3.9812 8.0383 125.2070 55.5514 17.8229 179.9532 46 K 4.1773 7.7971 117.6466 58.3756 32.5491 177.9024 47 E 4.4989 8.0476 116.4520 56.0607 29.5855 176.2275 48 D 4.6637 7.5459 119.6077 52.0986 40.4562 174.9281 49 P 4.6178 0.0000 0.0000 64.6204 31.5099 177.9386 50 L 4.2941 7.8440 116.0170 55.7664 42.0626 177.3648 51 L 4.4042 7.8213 117.3661 55.8558 42.8796 176.6021 52 T 4.3453 8.7759 118.5447 60.8284 67.5954 169.9917 53 P 4.5698 0.0000 0.0000 61.6769 30.2565 175.9769 54 V 3.5371 8.1080 121.0406 62.0992 31.8841 172.6450 55 P 4.0928 0.0000 0.0000 62.1054 30.2127 174.1073 56 A 4.0491 8.2352 126.9128 53.5098 18.0357 176.2393 57 S 4.6575 8.3586 114.3156 59.7429 67.1390 175.0081 58 E 4.7036 7.8658 112.1131 56.2990 32.4651 175.0761 59 N 4.1025 8.2334 118.5396 54.6125 37.0899 176.9576 60 P 3.1645 0.0000 0.0000 62.2383 33.5201 174.9270 61 F 4.4868 7.9881 126.6297 57.8874 39.2039 175.5952 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 8 S 8.19 4.47 0.00 4.02 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 9 I 7.64 3.59 1.87 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 1.57 0.52 0.91 0.00 0.00 10 A 8.07 3.98 1.31 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 11 Q 7.92 3.86 0.00 2.13 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 12 A 8.40 3.95 1.36 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 13 R 8.04 3.85 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 14 K 8.06 3.89 0.00 1.96 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 15 L 8.37 3.99 0.00 1.70 1.87 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.35 3.56 2.22 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 0.81 0.00 0.00 0.96 0.00 0.00 17 E 8.43 4.21 0.00 2.21 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 0.00 2.33 2.37 0.00 18 Q 7.60 3.94 0.00 2.39 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 19 L 8.24 4.01 0.00 1.85 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.62 3.90 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 21 M 7.60 4.01 0.00 2.02 2.33 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 22 E 8.38 4.05 0.00 1.90 2.20 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 2.32 2.37 0.00 23 A 8.53 4.13 1.35 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 24 N 8.49 4.72 0.00 2.74 2.80 0.00 0.00 6.94 7.36 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 25 I 7.04 4.73 1.87 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 1.55 0.53 0.97 0.00 0.00 26 D 8.37 4.68 0.00 2.79 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 27 R 7.58 4.22 0.00 1.82 1.92 0.00 3.16 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 28 I 7.63 4.71 1.87 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 1.42 0.55 0.91 0.00 0.00 29 K 8.23 4.36 0.00 1.80 1.72 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.49 7.81 30 V 8.22 3.66 2.08 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 1.09 0.00 0.00 0.93 0.00 0.00 31 S 8.04 3.87 0.00 4.09 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 32 K 7.96 3.92 0.00 1.98 1.89 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.51 7.81 33 A 7.97 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 34 A 8.92 3.91 1.31 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 35 A 8.15 3.94 1.42 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 0.00 0.00 0.00 36 D 8.37 4.10 0.00 3.04 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 37 L 7.68 4.02 0.00 1.83 1.73 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.29 4.04 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 39 A 8.90 3.95 1.38 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 0.00 0.00 40 Y 8.96 3.89 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.53 4.27 0.00 3.29 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.00 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 2.36 2.52 0.00 43 A 8.31 4.05 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 44 H 7.68 4.64 0.00 3.12 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.04 3.98 1.38 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 0.00 0.00 46 K 7.80 4.18 0.00 1.75 1.83 0.00 1.61 0.00 0.00 0.70 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.32 7.81 47 E 8.05 4.50 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 48 D 7.55 4.66 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.11 2.14 0.00 3.80 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 50 L 7.84 4.29 0.00 1.77 1.72 0.92 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.82 4.40 0.00 1.84 1.71 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.78 4.35 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 1.22 0.00 0.00 53 P 0.00 4.57 0.00 2.04 2.07 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 54 V 8.11 3.54 2.11 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 0.83 0.00 0.00 1.00 0.00 0.00 55 P 0.00 4.09 0.00 2.21 2.14 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 56 A 8.24 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.36 4.66 0.00 3.78 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 58 E 7.87 4.70 0.00 2.02 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 0.00 2.12 2.28 0.00 59 N 8.23 4.10 0.00 2.96 3.00 0.00 0.00 6.42 7.76 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 60 P 0.00 3.16 0.00 2.12 1.89 0.00 3.58 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 61 F 7.99 4.49 0.00 3.04 2.91 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