NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5466 8.3044 120.6139 55.3245 33.8660 174.8354 2 K 4.0553 8.7645 127.9018 54.9095 31.5472 172.3957 3 V 3.4529 8.6592 120.2493 64.2801 33.0134 177.6761 4 R 3.3472 7.8772 117.8464 57.9153 29.9086 176.6973 5 A 4.8423 8.1963 118.1094 53.6873 21.1819 176.9407 6 S 4.6074 7.9428 111.6682 57.7482 66.5984 178.7134 7 V 2.7150 9.4195 116.2735 61.0244 32.7445 173.7563 8 K 3.6884 9.2278 119.6193 54.3802 33.2822 173.6967 9 K 4.2301 8.2826 121.5937 57.3716 32.8491 175.7529 10 L 4.6184 8.1594 113.7648 55.7358 47.2121 175.4737 11 C 4.6923 7.4972 111.3428 57.0567 32.0283 173.9961 12 R 4.2160 8.6654 115.1024 57.7461 29.6043 176.1387 13 N 4.9588 7.7856 116.8034 53.5247 39.2681 174.1335 14 C 5.3956 7.9658 115.7982 57.0382 29.8575 173.8339 15 K 4.0528 8.6723 126.3197 57.0842 32.4696 176.9715 16 I 3.7025 8.3658 118.1776 61.7966 36.3632 172.7302 17 V 4.4360 8.0745 122.2702 60.9849 34.4955 174.2924 18 K 4.4488 8.4792 126.8268 54.4333 31.9440 173.8816 19 R 4.3707 8.0782 122.6067 55.0352 30.6748 176.2365 20 D 4.6561 9.0195 124.5742 55.5989 37.4796 175.5434 21 G 3.8838 8.3134 104.6943 46.1619 0.0000 175.6940 22 V 3.8860 7.0561 120.4468 60.6608 30.0636 173.0003 23 I 3.8189 7.8750 122.3789 62.0586 38.4590 174.6908 24 R 5.0476 9.5306 129.2879 54.6105 33.9630 174.7711 25 V 4.7467 8.0062 117.8719 62.1143 35.3569 174.1612 26 I 4.6699 8.4988 120.6290 59.1661 40.2542 173.4422 27 C 5.7925 8.4627 126.1126 57.0418 33.5728 174.3261 28 S 4.0949 9.0402 121.0592 59.6246 62.2744 173.9887 29 A 4.3695 6.7325 121.8896 51.5156 20.6524 175.9653 30 E 4.5742 7.3443 110.3085 53.2777 31.8251 175.9511 31 P 4.2396 0.0000 0.0000 65.3512 31.8797 178.5234 32 K 3.8171 8.2727 116.8225 59.9872 31.9945 177.6771 33 H 4.1817 7.7962 114.4737 58.5935 28.8799 174.7682 34 K 4.4512 8.4914 121.4457 56.6114 31.3775 175.9057 35 Q 5.4977 8.3444 125.2214 53.2955 32.7216 176.1242 36 R 4.7297 8.4092 121.1740 56.6245 31.7736 177.4389 37 Q 3.7267 8.8835 124.5534 55.6893 28.6142 176.4656 38 G 3.7443 8.0732 112.0659 46.0573 0.0000 171.6932 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 4.55 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 2 K 8.76 4.06 0.00 1.83 1.71 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 3 V 8.66 3.45 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 0.72 0.00 0.00 0.93 0.00 0.00 4 R 7.88 3.35 0.00 1.86 1.87 0.00 3.42 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 5 A 8.20 4.84 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.61 0.00 3.81 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 9.42 2.72 2.27 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 0.65 0.00 0.00 0.93 0.00 0.00 8 K 9.23 3.69 0.00 2.00 1.79 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.40 7.81 9 K 8.28 4.23 0.00 1.87 1.86 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.53 7.81 10 L 8.16 4.62 0.00 1.33 1.28 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.50 4.69 0.00 3.07 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.22 0.00 1.95 2.09 0.00 2.98 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 13 N 7.79 4.96 0.00 2.90 2.89 0.00 0.00 6.71 7.54 0.00 0.00 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 7.97 5.40 0.00 2.91 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 8.67 4.05 0.00 1.69 1.82 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.51 7.81 16 I 8.37 3.70 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 0.51 1.01 0.00 0.00 17 V 8.07 4.44 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 0.96 0.00 0.00 0.93 0.00 0.00 18 K 8.48 4.45 0.00 1.71 1.68 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.41 7.81 19 R 8.08 4.37 0.00 1.90 1.85 0.00 3.27 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 20 D 9.02 4.66 0.00 2.84 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 21 G 8.31 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.06 3.89 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 0.80 0.00 0.00 1.01 0.00 0.00 23 I 7.87 3.82 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 0.68 0.91 0.00 0.00 24 R 9.53 5.05 0.00 1.67 1.85 0.00 3.21 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 25 V 8.01 4.75 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 1.03 0.00 0.00 0.94 0.00 0.00 26 I 8.50 4.67 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 1.23 1.32 0.91 0.00 0.00 27 C 8.46 5.79 0.00 3.07 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 28 S 9.04 4.09 0.00 3.90 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 29 A 6.73 4.37 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.34 4.57 0.00 1.56 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 2.25 2.21 0.00 31 P 0.00 4.24 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.90 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 8.27 3.82 0.00 1.80 1.94 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.50 7.81 33 H 7.80 4.18 0.00 3.16 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.49 4.45 0.00 1.80 1.92 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.29 7.81 35 Q 8.34 5.50 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.36 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 36 R 8.41 4.73 0.00 1.75 1.06 0.00 3.27 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 37 Q 8.88 3.73 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.57 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 38 G 8.07 3.74 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 0.00 0.00 0.00