NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.5524 8.4249 118.1248 53.6619 39.9845 172.9872 2 L 3.3549 8.7484 121.7432 54.4673 40.7141 172.1698 3 M 3.0312 9.1107 121.9794 55.8756 29.5223 176.3737 4 K 4.1013 7.7285 121.5038 55.8540 32.8416 176.7086 5 R 4.3058 8.0428 118.4285 55.6462 33.2313 173.4477 6 C 3.8041 8.6402 113.4286 56.7851 41.3952 172.6252 7 T 3.6513 8.6147 118.3488 61.2281 68.9020 171.5170 8 R 4.5228 8.3070 118.2598 56.9858 30.6464 176.6797 9 G 4.0290 9.3821 105.4645 45.1182 0.0000 173.0164 10 F 3.4344 8.3836 126.4201 58.0086 37.6486 175.8553 11 R 4.8491 7.8605 126.5680 54.9473 28.3590 174.3270 12 K 4.8382 8.7236 119.4650 55.4697 36.1126 176.9010 13 L 4.7252 8.2435 120.5919 54.6504 43.2458 175.5836 14 G 4.4615 8.9462 106.6592 51.0100 0.0000 175.4585 15 K 3.8109 8.7121 109.5722 58.9048 29.2394 175.5682 16 C 4.2079 7.1779 126.8795 57.7983 38.7793 174.4123 17 T 4.2141 7.5372 114.3020 63.3794 70.4735 175.3257 18 T 3.8318 8.4304 120.3359 67.0920 68.6416 176.5676 19 L 4.2018 8.0358 121.5067 57.8470 41.9767 178.7893 20 E 3.9476 7.9297 117.5492 59.3186 30.0381 178.7135 21 E 3.9952 8.3639 118.8939 58.7005 29.5134 178.8800 22 E 3.9583 8.6776 120.2726 58.7002 29.4244 178.7561 23 K 3.6784 7.8535 119.7764 59.8845 32.3503 178.2893 24 C 3.3089 7.7199 116.0071 59.8340 39.7930 175.4950 25 K 4.1775 7.5198 119.7323 58.5906 31.8108 178.6669 26 T 3.9583 8.1517 111.8324 65.2510 68.7057 175.8936 27 L 4.4315 7.3043 120.0846 55.1416 42.0186 176.4396 28 Y 4.8156 6.9212 116.6048 55.7044 39.3959 175.0735 29 P 4.5864 0.0000 0.0000 61.5366 30.1163 174.8669 30 R 4.6385 7.6394 120.5771 55.3159 33.2076 176.4471 31 G 3.9964 8.5068 106.1263 45.9594 0.0000 174.4902 32 Q 4.5448 8.0267 117.4573 55.6305 29.3807 175.1951 33 C 5.0035 7.6542 117.6168 55.3237 43.0764 173.7986 34 T 3.8854 7.5396 116.4598 62.7871 71.4093 169.4009 35 C 5.6161 9.1332 115.2277 53.5023 37.7851 173.7679 36 S 4.7606 9.0444 117.4288 56.6655 65.6391 172.4997 37 D 4.8140 8.7075 122.6196 53.0281 44.2110 173.5623 38 S 4.5215 8.7931 116.2118 58.2875 64.4418 175.1007 39 K 4.4307 7.1856 121.2158 55.6268 33.2043 174.1637 40 M 4.7851 7.7077 117.8306 54.2601 36.0126 174.3438 41 N 4.7861 8.7835 116.1472 55.5131 40.3237 175.3643 42 T 5.2012 7.9077 108.2828 60.5818 71.4739 173.2670 43 H 5.1845 8.7271 118.6117 55.7772 32.1671 170.8580 44 S 4.0760 8.0587 112.2626 58.7195 66.8090 172.6480 45 C 5.0731 8.4033 117.1977 55.6295 40.6397 172.9154 46 D 4.6742 8.0078 118.0283 53.5212 40.7524 177.6632 47 C 4.4060 8.5057 116.6733 58.2437 40.5664 174.3373 48 K 4.5297 7.4129 119.5625 54.1050 34.4857 174.8700 49 S 4.2753 8.8154 121.8413 58.6574 61.3022 172.8256 50 C 4.5826 8.2628 117.6256 55.1484 42.6199 174.4820 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 N 8.42 4.55 0.00 2.71 2.87 0.00 0.00 6.97 6.97 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 2 L 8.75 3.35 0.00 1.85 1.68 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 M 9.11 3.03 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 4 K 7.73 4.10 0.00 1.67 1.59 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.48 7.81 5 R 8.04 4.31 0.00 1.49 1.15 0.00 3.10 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.31 0.00 6 C 8.64 3.80 0.00 3.05 3.35 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 7 T 8.61 3.65 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 8 R 8.31 4.52 0.00 1.93 2.02 0.00 3.55 0.00 0.00 3.43 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 9 G 9.38 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 10 F 8.38 3.43 0.00 3.26 3.02 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 11 R 7.86 4.85 0.00 1.84 1.98 0.00 3.11 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 12 K 8.72 4.84 0.00 1.76 1.56 0.00 1.51 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.31 7.81 13 L 8.24 4.73 0.00 1.58 1.57 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.95 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 3.81 0.00 1.83 1.98 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.63 7.81 16 C 7.18 4.21 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.54 4.21 4.53 0.00 0.00 0.00 0.00 0.00 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 18 T 8.43 3.83 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 1.19 0.00 0.00 19 L 8.04 4.20 0.00 1.66 1.66 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.93 3.95 0.00 2.25 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 0.00 2.52 2.50 0.00 21 E 8.36 4.00 0.00 2.18 2.23 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 2.27 2.36 0.00 22 E 8.68 3.96 0.00 2.15 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 0.00 2.28 2.42 0.00 23 K 7.85 3.68 0.00 1.85 1.90 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.29 1.20 7.81 24 C 7.72 3.31 0.00 2.93 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 25 K 7.52 4.18 0.00 1.83 1.72 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 26 T 8.15 3.96 4.20 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 0.00 0.00 1.22 0.00 0.00 27 L 7.30 4.43 0.00 1.36 1.90 0.82 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 Y 6.92 4.82 0.00 3.06 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.20 2.11 0.00 3.81 0.00 0.00 3.89 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 30 R 7.64 4.64 0.00 1.87 2.00 0.00 3.34 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 31 G 8.51 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 32 Q 8.03 4.54 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 33 C 7.65 5.00 0.00 2.99 3.02 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 34 T 7.54 3.89 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 35 C 9.13 5.62 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.04 4.76 0.00 3.87 3.94 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 37 D 8.71 4.81 0.00 2.49 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.79 4.52 0.00 3.97 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 39 K 7.19 4.43 0.00 1.66 1.71 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.39 7.81 40 M 7.71 4.79 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 41 N 8.78 4.79 0.00 2.80 2.83 0.00 0.00 6.50 7.24 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 42 T 7.91 5.20 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 1.27 0.00 0.00 43 H 8.73 5.18 0.00 3.46 3.77 0.00 5.28 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.06 4.08 0.00 3.43 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.40 5.07 0.00 3.22 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.01 4.67 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 C 8.51 4.41 0.00 3.01 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.41 4.53 0.00 1.57 1.59 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.40 7.81 49 S 8.82 4.28 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.26 4.58 0.00 3.15 2.97 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 0.00 0.00 0.00 0.00