NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6368 8.3049 118.3341 55.1459 33.5703 173.8138 2 K 4.4470 8.0522 114.8334 54.6327 36.0639 171.0917 3 V 4.8954 8.9993 122.7313 62.9737 33.9445 176.1564 4 R 4.1583 9.1176 123.1519 56.8542 29.2020 175.9833 5 A 4.0248 8.5047 121.0694 55.2675 18.7207 177.9391 6 S 4.3409 8.0106 111.2465 58.3465 62.3699 172.4544 7 V 3.7856 8.0550 128.9211 58.0718 32.3296 178.2885 8 K 3.6735 8.1127 121.8707 55.5113 33.7037 174.8513 9 K 4.4823 8.1973 116.4726 55.7619 33.9761 176.4330 10 L 4.4966 8.0002 118.8472 54.9185 43.1283 175.5217 11 C 4.5970 7.2095 112.4915 57.1868 31.7833 174.4386 12 R 4.1720 8.5456 114.6117 57.4883 28.0045 176.3638 13 N 4.7524 7.9110 116.6927 53.6971 39.1292 173.9735 14 C 4.7881 7.5802 114.8041 59.2865 28.9705 171.8885 15 K 4.1565 7.5941 117.0216 56.7458 33.6982 173.1406 16 I 3.4342 7.9370 130.7074 61.1110 35.4634 173.6245 17 V 4.4301 8.5611 118.0978 59.2015 35.6941 174.7380 18 K 4.1286 8.6518 124.9372 56.6448 32.5301 177.5379 19 R 4.5971 8.2203 129.3348 55.1486 30.4529 173.5101 20 D 4.8821 7.9397 118.3494 53.9041 37.1906 177.1964 21 G 4.0281 8.5072 114.2622 45.5990 0.0000 173.1053 22 V 3.9068 7.6789 112.8207 59.9694 30.6762 175.4428 23 I 3.8936 8.1101 126.5879 62.1090 36.1672 176.2346 24 R 4.5931 8.5138 126.4747 55.1319 32.4695 175.4042 25 V 4.7677 8.4232 120.0465 61.2815 34.8730 174.1321 26 I 4.5694 8.4025 127.7908 59.6253 39.8652 173.7847 27 C 4.9905 8.7480 126.6948 57.7393 33.2642 173.5372 28 S 4.5257 8.3005 119.3508 58.3881 63.3388 174.7719 29 A 4.2263 6.8803 122.4621 52.7082 19.0946 176.6414 30 E 4.7031 7.5517 115.3893 53.6914 31.8273 175.1195 31 P 4.4531 0.0000 0.0000 64.5723 32.0010 179.0161 32 K 4.0266 7.9126 117.2809 59.6835 32.0035 177.6343 33 H 4.5400 7.8537 113.1000 56.7054 29.1001 175.2767 34 K 4.5250 7.6975 122.2793 56.4827 33.3784 175.7019 35 Q 4.8576 8.6228 123.7358 55.3493 32.5135 173.6255 36 R 4.6320 9.1638 123.6476 55.3390 33.0693 172.8563 37 Q 3.8948 8.7896 126.1896 55.2361 29.7830 173.3497 38 G 3.7827 8.7848 110.1328 45.4035 0.0000 173.1201 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 M 8.30 4.64 0.00 2.04 2.30 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 8.05 4.45 0.00 1.64 1.68 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.35 1.64 7.81 3 V 9.00 4.90 2.29 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 1.08 0.00 0.00 0.93 0.00 0.00 4 R 9.12 4.16 0.00 1.84 2.33 0.00 3.20 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 5 A 8.50 4.02 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 6 S 8.01 4.34 0.00 3.84 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 7 V 8.05 3.79 2.24 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 0.83 0.00 0.00 0.93 0.00 0.00 8 K 8.11 3.67 0.00 2.01 1.92 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 1.39 7.81 9 K 8.20 4.48 0.00 2.00 1.83 0.00 1.41 0.00 0.00 1.68 0.00 0.00 3.30 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.49 7.81 10 L 8.00 4.50 0.00 1.30 1.59 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.21 4.60 0.00 3.03 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 12 R 8.55 4.17 0.00 1.94 2.08 0.00 3.00 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 13 N 7.91 4.75 0.00 2.77 2.80 0.00 0.00 7.18 7.65 0.00 0.00 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 7.58 4.79 0.00 2.97 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 15 K 7.59 4.16 0.00 1.70 1.84 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 I 7.94 3.43 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 1.41 0.53 0.91 0.00 0.00 17 V 8.56 4.43 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 0.69 0.00 0.00 0.93 0.00 0.00 18 K 8.65 4.13 0.00 1.71 1.74 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.42 7.81 19 R 8.22 4.60 0.00 1.77 1.82 0.00 3.27 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 20 D 7.94 4.88 0.00 2.78 2.79 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 21 G 8.51 4.03 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 0.00 0.00 0.00 22 V 7.68 3.91 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 0.75 0.00 0.00 0.93 0.00 0.00 23 I 8.11 3.89 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 1.34 0.46 0.91 0.00 0.00 24 R 8.51 4.59 0.00 1.74 1.84 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 25 V 8.42 4.77 2.09 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 0.99 0.00 0.00 0.98 0.00 0.00 26 I 8.40 4.57 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 1.23 1.37 0.91 0.00 0.00 27 C 8.75 4.99 0.00 2.99 2.89 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 28 S 8.30 4.53 0.00 4.17 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 29 A 6.88 4.23 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 30 E 7.55 4.70 0.00 1.65 1.67 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 2.18 2.15 0.00 31 P 0.00 4.45 0.00 2.16 2.07 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 7.91 4.03 0.00 1.61 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 H 7.85 4.54 0.00 3.13 3.34 0.00 5.72 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.70 4.52 0.00 1.89 1.82 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.57 7.81 35 Q 8.62 4.86 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.42 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 36 R 9.16 4.63 0.00 1.86 1.82 0.00 3.20 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 37 Q 8.79 3.89 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.05 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 38 G 8.78 3.78 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 0.00 0.00 0.00