NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 C 4.5686 8.1914 118.3173 58.8321 30.5004 172.3996 7 G 5.0236 7.8288 105.6052 44.0816 0.0000 169.6655 8 K 5.0892 8.4957 121.6190 53.8589 35.2442 174.0447 9 C 4.5413 7.9622 124.2074 58.1051 33.0681 172.6051 10 W 3.8360 8.0220 131.1174 57.1862 31.0945 177.1904 11 K 4.1514 9.7394 122.9043 56.9242 30.1916 176.8436 12 T 4.3836 7.3197 108.4113 60.9774 69.7521 175.1228 13 F 4.3844 8.9022 131.8992 57.4537 37.6887 176.5895 14 T 4.3827 7.6680 118.2296 62.6501 69.9246 175.5025 15 D 4.8262 8.8241 127.3882 54.7638 41.5422 175.6902 16 E 4.9793 8.4594 123.4939 54.6889 33.0033 175.1447 17 Q 4.5941 8.2875 116.6558 54.4932 32.8303 176.2588 18 L 4.0523 8.5670 118.6365 56.5104 41.6968 178.2935 19 K 4.3627 8.3093 117.9022 56.9928 31.9467 179.1562 20 V 4.0123 7.5454 112.5154 61.4077 30.0253 176.5155 21 L 4.7613 7.5448 119.0039 52.5118 44.2754 175.3151 22 P 4.4039 0.0000 0.0000 65.0218 32.1008 176.6263 23 G 3.9052 7.9457 106.5694 45.4696 0.0000 172.8531 24 V 4.2792 8.0481 116.0479 61.4131 32.6031 178.3897 25 R 4.5542 7.5505 124.5908 55.4329 29.1723 175.6288 26 C 4.6627 7.9720 119.9018 58.5145 32.2064 170.8138 27 P 4.0452 0.0000 0.0000 64.4129 30.4434 173.7924 28 Y 4.0549 8.4151 124.3692 58.8270 36.2199 169.2931 29 C 3.9881 8.1466 120.5061 60.3407 28.2517 175.2797 30 G 3.4982 8.7192 113.7872 46.8064 0.0000 172.3901 31 Y 3.8624 7.3682 121.5147 58.3762 38.8762 176.3483 32 K 4.6967 8.6055 127.2616 56.5387 32.8446 177.0286 33 I 4.2404 8.2828 119.6304 62.0896 38.0068 175.7497 34 I 3.5671 7.1015 118.9905 58.9283 39.2948 173.8061 35 F 5.1041 7.8282 120.4743 55.5072 41.2861 173.3322 36 M 4.8991 9.0529 120.0916 55.6165 32.6932 175.1630 37 V 4.5236 8.0837 118.0972 60.0175 34.9537 174.1999 38 R 3.6613 8.6841 119.9895 56.6555 29.9856 175.4535 39 K 4.1292 8.6070 126.7090 55.3951 32.4349 175.8151 40 P 4.6588 0.0000 0.0000 63.3706 28.4794 175.0835 41 T 4.5908 7.3462 120.5753 61.9489 72.8304 174.0105 42 I 3.7233 8.2468 122.8189 61.0841 37.1158 175.7054 43 K 4.3230 8.3513 128.6875 54.7171 32.0280 176.3817 44 I 4.1206 8.1476 125.8088 60.0704 37.6253 175.8031 45 V 4.3291 8.1394 125.4979 60.3368 33.4667 174.9025 46 K 4.0975 8.6184 126.6909 56.6439 33.1708 177.9651 47 A 4.3168 8.3519 129.3868 51.0739 16.8466 176.9916 48 I 4.0346 7.5097 123.0277 60.7584 37.3743 176.2715 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 6 C 8.19 4.57 0.00 2.91 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 7 G 7.83 5.02 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 0.00 0.00 0.00 8 K 8.50 5.09 0.00 1.49 1.36 0.00 1.88 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.25 7.81 9 C 7.96 4.54 0.00 3.07 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 10 W 8.02 3.84 0.00 2.31 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 9.74 4.15 0.00 2.12 2.18 0.00 2.04 0.00 0.00 1.99 0.00 0.00 3.53 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.81 1.78 7.81 12 T 7.32 4.38 4.30 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 1.28 0.00 0.00 13 F 8.90 4.38 0.00 2.80 3.09 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 0.00 0.00 0.00 0.00 14 T 7.67 4.38 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 1.21 0.00 0.00 15 D 8.82 4.83 0.00 2.55 2.62 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 16 E 8.46 4.98 0.00 1.83 1.87 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 2.21 2.39 0.00 17 Q 8.29 4.59 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 18 L 8.57 4.05 0.00 1.70 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.31 4.36 0.00 1.68 1.81 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.40 7.81 20 V 7.55 4.01 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 0.72 0.00 0.00 0.99 0.00 0.00 21 L 7.54 4.76 0.00 1.60 1.56 0.92 1.16 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 22 P 0.00 4.40 0.00 2.17 2.16 0.00 3.80 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 1.95 1.95 0.00 23 G 7.95 3.91 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 0.00 0.00 0.00 24 V 8.05 4.28 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 0.79 0.00 0.00 0.95 0.00 0.00 25 R 7.55 4.55 0.00 1.85 1.76 0.00 3.29 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.63 0.00 26 C 7.97 4.66 0.00 3.27 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.05 0.00 2.02 2.00 0.00 4.12 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 1.97 1.94 0.00 28 Y 8.42 4.05 0.00 3.15 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 29 C 8.15 3.99 0.00 3.08 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 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 31 Y 7.37 3.86 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 32 K 8.61 4.70 0.00 1.77 1.80 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.53 7.81 33 I 8.28 4.24 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.97 0.99 0.00 0.00 34 I 7.10 3.57 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.90 0.91 0.00 0.00 35 F 7.83 5.10 0.00 2.99 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 36 M 9.05 4.90 0.00 1.95 2.13 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 2.65 2.43 0.00 37 V 8.08 4.52 2.14 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 0.74 0.00 0.00 0.97 0.00 0.00 38 R 8.68 3.66 0.00 1.79 1.94 0.00 3.24 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 39 K 8.61 4.13 0.00 1.76 1.72 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.43 7.81 40 P 0.00 4.66 0.00 2.22 2.09 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 41 T 7.35 4.59 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 1.21 0.00 0.00 42 I 8.25 3.72 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 0.62 0.91 0.00 0.00 43 K 8.35 4.32 0.00 1.77 1.75 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.59 7.81 44 I 8.15 4.12 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 1.30 0.50 0.91 0.00 0.00 45 V 8.14 4.33 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 0.86 0.00 0.00 0.93 0.00 0.00 46 K 8.62 4.10 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.38 7.81 47 A 8.35 4.32 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 48 I 7.51 4.03 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 1.27 0.90 0.91 0.00 0.00