NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8844 8.3393 109.7360 45.4684 0.0000 173.1886 2 S 4.2808 8.3086 120.9785 55.7587 64.5940 172.5091 3 S 3.6750 9.0910 122.2657 58.6072 61.7612 174.5254 4 G 3.8103 8.3417 108.8538 48.0236 0.0000 174.4656 5 S 4.6044 7.5432 116.0446 55.8194 63.4774 173.7271 6 S 4.1197 8.4680 118.7206 61.6166 63.1963 173.8735 7 G 2.9824 7.0260 111.1599 43.9619 0.0000 171.0090 8 S 4.4001 7.9312 121.1736 58.2178 65.6492 173.9376 9 G 4.0024 9.1255 114.6041 46.0001 0.0000 171.7844 10 E 4.7267 8.4266 121.8723 54.1927 32.2355 175.3994 11 K 4.6646 8.3018 121.1903 53.9094 34.2340 175.0102 12 P 4.2557 0.0000 0.0000 64.1880 31.7858 175.9292 13 F 5.0127 7.9631 118.0865 55.5512 41.7711 174.4153 14 K 5.0551 8.6788 123.7594 54.9335 35.4599 175.1898 15 C 4.4963 9.3116 128.3436 59.1745 31.2288 173.8603 16 E 4.3157 8.9963 127.0415 59.1520 29.8795 178.8548 17 E 4.0743 8.5328 118.7144 59.0038 29.6874 178.1817 18 C 4.4649 8.3713 110.0142 60.2004 31.5556 173.7048 19 G 3.6464 8.5123 107.7587 44.6276 0.0000 173.7089 20 K 4.2656 8.0627 121.1210 56.4435 33.5897 175.5536 21 R 5.1917 7.3117 117.7413 55.6590 33.7811 174.8657 22 F 4.9080 9.2554 118.5238 56.8949 43.5629 175.4311 23 T 4.3856 8.8596 114.9905 63.8074 67.8218 174.9355 24 Q 4.1643 7.4936 118.8727 53.1555 34.2470 175.1118 25 N 3.3678 6.9885 120.3180 56.1049 37.3309 177.3600 26 S 4.0584 7.7958 117.3307 61.3879 62.7637 176.9492 27 Q 3.7525 7.5228 119.7883 58.6820 28.6961 177.9770 28 L 2.0000 6.5855 121.1117 57.9861 41.8970 178.8911 29 H 4.3539 8.1664 114.5091 58.5321 28.7901 176.7825 30 S 4.2221 7.3420 112.9475 60.2615 62.8318 174.9055 31 H 4.5315 7.8388 119.5174 58.6197 29.9434 176.7258 32 Q 4.7422 8.4101 121.4819 58.6344 28.4631 179.4204 33 R 4.2143 7.9504 119.7711 58.7250 29.7972 179.0114 34 V 4.2199 7.8955 112.7926 63.7839 31.5098 177.5834 35 H 4.5755 8.2992 115.2143 57.0116 29.4225 175.3564 36 T 4.1106 8.0937 112.4413 62.2968 68.8515 174.5389 37 G 4.0072 8.0297 110.3901 47.6382 0.0000 173.3028 38 E 4.6687 8.1584 126.1892 53.6217 29.3134 175.2457 39 K 4.8186 7.5420 118.2893 53.4858 36.7011 174.7048 40 P 4.2781 0.0000 0.0000 62.1931 31.6575 176.0701 41 S 4.0044 8.8516 118.2819 58.9359 62.8770 174.4399 42 G 4.5202 7.9365 117.9734 45.0182 0.0000 170.5248 43 P 4.3183 0.0000 0.0000 63.3911 31.8803 176.8804 44 S 4.4897 8.0823 114.7135 57.6757 65.0149 174.8182 45 S 4.2381 8.9377 124.6585 60.4025 63.4290 174.5105 46 G 4.3631 8.0340 112.3376 46.1079 0.0000 172.7043 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 G 8.34 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 2 S 8.31 4.28 0.00 4.01 3.84 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 3 S 9.09 3.68 0.00 3.93 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 4 G 8.34 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 0.00 0.00 0.00 5 S 7.54 4.60 0.00 3.80 3.76 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 6 S 8.47 4.12 0.00 3.97 3.99 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 0.00 0.00 0.00 7 G 7.03 2.98 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 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.93 4.40 0.00 3.80 3.76 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 9 G 9.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 4.73 0.00 1.91 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 2.20 2.34 0.00 11 K 8.30 4.66 0.00 1.73 2.07 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.41 7.81 12 P 0.00 4.26 0.00 1.50 1.98 0.00 3.99 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 13 F 7.96 5.01 0.00 3.46 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 14 K 8.68 5.06 0.00 1.76 1.68 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.36 1.61 7.81 15 C 9.31 4.50 0.00 3.49 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.32 0.00 2.02 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 2.39 0.00 17 E 8.53 4.07 0.00 1.76 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 18 C 8.37 4.46 0.00 3.12 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 19 G 8.51 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.06 4.27 0.00 1.83 1.39 0.00 1.55 0.00 0.00 1.40 0.00 0.00 2.42 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.41 1.49 7.81 21 R 7.31 5.19 0.00 1.45 1.71 0.00 3.19 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 22 F 9.26 4.91 0.00 3.04 2.87 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 0.00 0.00 0.00 23 T 8.86 4.39 4.32 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 0.00 0.00 0.00 1.26 0.00 0.00 24 Q 7.49 4.16 0.00 1.90 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 25 N 6.99 3.37 0.00 2.77 2.84 0.00 0.00 5.78 7.52 0.00 0.00 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 S 7.80 4.06 0.00 3.73 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 27 Q 7.52 3.75 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 28 L 6.59 2.00 0.00 1.30 1.47 1.06 1.33 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 29 H 8.17 4.35 0.00 3.09 3.27 0.00 5.72 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 30 S 7.34 4.22 0.00 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.84 4.53 0.00 3.43 3.27 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.41 4.74 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 33 R 7.95 4.21 0.00 1.96 1.97 0.00 3.38 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 34 V 7.90 4.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.65 0.00 0.00 35 H 8.30 4.58 0.00 3.51 3.35 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.09 4.11 4.23 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 1.20 0.00 0.00 37 G 8.03 4.01 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 0.00 0.00 0.00 38 E 8.16 4.67 0.00 1.98 1.85 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 2.26 2.40 0.00 39 K 7.54 4.82 0.00 1.67 1.64 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.40 7.81 40 P 0.00 4.28 0.00 2.17 2.07 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 41 S 8.85 4.00 0.00 3.84 3.84 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 42 G 7.94 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.19 2.10 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 44 S 8.08 4.49 0.00 3.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.94 4.24 0.00 3.90 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 46 G 8.03 4.36 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 0.00