NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4632 8.3049 120.3268 55.0451 33.2936 174.2620 2 K 3.9635 8.4967 119.9309 56.3670 33.2232 173.2440 3 R 3.8241 8.7649 124.5195 57.5542 30.0564 175.6742 4 T 4.3418 8.4068 111.0804 62.8138 71.1168 171.5075 5 Y 5.0074 7.8084 121.2035 56.9760 47.1801 171.4269 6 Q 3.5099 7.9380 125.8626 53.8311 29.0823 172.8765 7 P 4.0666 0.0000 0.0000 63.7378 30.5926 172.7887 8 N 3.9867 8.5744 119.7665 54.1606 36.4365 174.1847 9 N 4.9019 8.0288 123.7637 51.1330 36.6376 175.1965 10 R 4.0677 7.8429 122.4302 59.5825 31.5414 178.0279 11 K 4.6256 7.6130 116.9962 54.1189 31.7937 176.5376 12 R 4.7278 7.4580 110.1931 55.5311 32.8618 174.4608 13 A 4.7738 8.2387 119.2745 52.8051 24.0857 177.4075 14 K 4.4038 8.7966 119.9897 54.6956 33.4344 175.7412 15 T 4.5208 7.4049 112.4865 62.4748 76.2844 174.0921 16 H 5.2934 7.7777 121.3713 53.7212 29.9841 174.1164 17 G 4.1139 7.6137 107.1877 43.9699 0.0000 172.6045 18 F 3.9131 8.0533 123.9922 57.1603 39.2828 176.8555 19 R 4.4383 8.0686 124.2745 54.4278 29.6368 176.8411 20 A 4.7816 7.4878 124.6106 50.8322 20.3475 177.4652 21 R 4.6082 7.6241 114.2070 56.4477 33.8005 176.0897 22 M 4.3064 8.0329 119.8318 56.9985 33.1864 178.1900 23 K 3.9196 8.1398 117.0612 58.8949 32.5525 176.8097 24 T 4.5179 7.2344 115.4420 60.3612 69.0440 174.0627 25 K 3.8680 8.4925 125.4587 59.7125 32.4357 178.4221 26 S 4.4578 8.0394 112.0432 58.8163 62.7834 175.3902 27 G 4.0635 8.3197 108.2722 44.5406 0.0000 175.7079 28 R 3.9240 7.8259 121.6080 59.4163 29.9161 178.1035 29 N 4.4334 8.0423 115.2057 55.6798 37.6696 176.8376 30 I 3.9149 7.3921 122.3913 63.8983 36.9632 177.9440 31 L 4.0774 8.0574 120.8732 57.3979 41.3589 177.5884 32 A 4.6153 8.0677 120.0092 51.9689 18.7701 177.5086 33 R 4.3059 7.0406 118.5373 57.1196 30.7320 176.6148 34 R 4.7959 7.2165 109.0044 54.7662 31.6166 172.1208 35 R 4.3060 7.7875 126.7116 57.1087 35.8863 174.7097 36 A 4.6030 7.6065 114.5342 51.4416 19.3899 177.0252 37 K 4.2050 7.6277 120.0910 56.9891 32.9651 176.4188 38 G 3.9436 8.5658 113.3880 44.2899 0.0000 171.6535 39 R 4.2671 8.0590 122.1173 55.6356 30.2104 173.6014 40 H 4.0277 8.8582 128.0963 56.3757 31.8518 176.5757 41 Q 4.6604 7.8162 126.1157 55.5871 27.7296 179.4886 42 L 4.7759 8.5293 129.1526 55.3198 44.9655 176.0277 43 T 4.6802 8.5172 116.4734 63.9524 70.3938 174.4802 44 V 4.1086 7.9513 120.0658 62.7704 33.4614 175.4166 45 S 4.7343 7.7584 112.2192 58.9746 62.1759 172.9499 46 D 4.7417 8.1330 123.7536 53.8628 40.6957 174.4037 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 4.46 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.50 3.96 0.00 1.81 1.75 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 3 R 8.76 3.82 0.00 1.77 1.74 0.00 3.34 0.00 0.00 3.17 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 4 T 8.41 4.34 4.27 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 1.25 0.00 0.00 5 Y 7.81 5.01 0.00 2.72 2.80 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 6 Q 7.94 3.51 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 7 P 0.00 4.07 0.00 2.07 2.05 0.00 3.77 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 8 N 8.57 3.99 0.00 2.80 2.81 0.00 0.00 6.70 7.79 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 9 N 8.03 4.90 0.00 2.83 2.82 0.00 0.00 6.34 7.66 0.00 0.00 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 R 7.84 4.07 0.00 1.82 2.03 0.00 3.35 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 11 K 7.61 4.63 0.00 1.77 1.82 0.00 1.87 0.00 0.00 2.30 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.34 7.81 12 R 7.46 4.73 0.00 1.82 1.74 0.00 3.30 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 13 A 8.24 4.77 1.20 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 0.00 0.00 0.00 14 K 8.80 4.40 0.00 1.75 1.80 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 15 T 7.40 4.52 4.26 0.00 0.00 0.00 0.00 0.00 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 16 H 7.78 5.29 0.00 3.11 3.12 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.61 4.11 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 0.00 0.00 0.00 18 F 8.05 3.91 0.00 3.20 2.78 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 19 R 8.07 4.44 0.00 1.82 1.91 0.00 3.46 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 20 A 7.49 4.78 1.30 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 0.00 0.00 0.00 21 R 7.62 4.61 0.00 1.78 1.99 0.00 3.37 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 22 M 8.03 4.31 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 23 K 8.14 3.92 0.00 1.77 1.87 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.54 7.81 24 T 7.23 4.52 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 25 K 8.49 3.87 0.00 1.78 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.45 7.81 26 S 8.04 4.46 0.00 3.85 3.87 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 27 G 8.32 4.06 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 0.00 0.00 0.00 28 R 7.83 3.92 0.00 2.11 2.20 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 29 N 8.04 4.43 0.00 2.90 2.94 0.00 0.00 6.05 7.81 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 30 I 7.39 3.91 1.98 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 1.56 1.63 0.90 0.00 0.00 31 L 8.06 4.08 0.00 1.79 1.91 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.07 4.62 1.35 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 0.00 0.00 33 R 7.04 4.31 0.00 1.89 2.01 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 34 R 7.22 4.80 0.00 1.75 1.80 0.00 3.02 0.00 0.00 3.76 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.40 0.00 35 R 7.79 4.31 0.00 1.77 1.86 0.00 3.44 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 36 A 7.61 4.60 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 37 K 7.63 4.20 0.00 1.94 1.56 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 38 G 8.57 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 0.00 0.00 0.00 39 R 8.06 4.27 0.00 1.84 1.81 0.00 3.37 0.00 0.00 3.16 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 H 8.86 4.03 0.00 3.28 3.25 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.82 4.66 0.00 2.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.48 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 42 L 8.53 4.78 0.00 1.65 1.63 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.52 4.68 4.22 0.00 0.00 0.00 0.00 0.00 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 44 V 7.95 4.11 2.01 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 -0.08 0.00 0.00 0.87 0.00 0.00 45 S 7.76 4.73 0.00 4.29 3.87 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 46 D 8.13 4.74 0.00 2.90 2.67 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 0.00 0.00 0.00