NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A D 4.5799 8.2076 120.1921 53.8754 43.2899 175.4162 1 C 3.7452 8.0106 113.2082 59.1841 29.5959 172.8337 2 G 3.8466 9.4974 109.3849 45.9587 0.0000 174.5069 3 L 4.5723 7.3974 119.8897 52.8060 42.6798 176.3996 4 R 4.2878 9.2881 124.6914 54.9526 30.8892 175.7982 5 P 4.1910 0.0000 0.0000 65.7924 31.3505 177.1254 6 L 4.2328 7.8132 113.8363 54.7408 41.3771 176.7444 7 F 4.6760 7.7789 116.8972 58.5033 43.1279 176.5991 8 E 4.0314 8.5370 119.3593 59.8128 29.9636 179.9552 9 K 3.9902 8.2094 116.2030 58.7399 32.1416 177.7359 10 K 4.3052 7.8880 114.7087 55.5153 32.8716 176.0888 11 S 3.9372 7.7731 112.0894 59.1028 61.0936 169.4776 12 L 4.7175 8.2577 117.7320 52.6598 43.0655 176.0769 13 E 4.7643 8.5492 121.8265 54.9452 31.3602 175.9004 14 D 4.6953 9.2976 122.4633 52.2267 40.5075 177.7031 14A K 4.0810 8.5219 118.9656 58.9570 32.3933 178.1147 14B T 4.5961 8.5011 107.3424 60.3779 69.6822 175.4973 14C E 3.9399 7.9932 122.1625 59.5622 29.2491 178.7909 14D R 3.8201 8.0347 119.5403 59.4254 29.7143 177.8281 14E E 3.8363 7.7592 117.8350 58.9876 29.9310 178.4866 14F L 3.8555 7.6388 118.4538 57.7979 41.8895 179.3853 14G L 3.5031 7.4932 118.7112 57.6428 41.3472 179.4026 14H E 4.0318 8.1679 117.6395 58.5264 29.3752 178.6930 14I S 4.5125 7.3719 113.2863 59.3886 64.7732 174.9073 14J Y 4.6189 6.7431 120.5017 56.2182 35.5530 175.6894 14K I 3.5552 8.0305 123.3818 61.2543 36.5998 173.4684 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 1A D 8.21 4.58 0.00 2.78 2.74 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 1 C 8.01 3.75 0.00 3.20 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.50 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 0.00 0.00 0.00 3 L 7.40 4.57 0.00 1.65 1.65 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.29 4.29 0.00 2.14 2.03 0.00 3.22 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 1.71 1.70 0.00 5 P 0.00 4.19 0.00 2.03 2.14 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 6 L 7.81 4.23 0.00 1.34 1.21 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.78 4.68 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.54 4.03 0.00 2.22 2.05 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 2.44 2.46 0.00 9 K 8.21 3.99 0.00 1.98 1.88 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.54 7.81 10 K 7.89 4.31 0.00 1.67 1.78 0.00 1.96 0.00 0.00 1.50 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.35 7.81 11 S 7.77 3.94 0.00 4.06 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 12 L 8.26 4.72 0.00 1.59 1.60 0.76 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.55 4.76 0.00 2.01 1.89 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 2.29 2.32 0.00 14 D 9.30 4.70 0.00 2.40 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14A K 8.52 4.08 0.00 1.75 1.92 0.00 1.73 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.38 7.81 14B T 8.50 4.60 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 1.18 0.00 0.00 14C E 7.99 3.94 0.00 2.29 2.17 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 2.53 2.28 0.00 14D R 8.03 3.82 0.00 1.95 1.94 0.00 3.30 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.27 0.00 14E E 7.76 3.84 0.00 1.97 2.11 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 2.25 2.29 0.00 14F L 7.64 3.86 0.00 1.69 1.34 0.89 0.63 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 14G L 7.49 3.50 0.00 1.55 1.63 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14H E 8.17 4.03 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 14I S 7.37 4.51 0.00 4.02 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 14J Y 6.74 4.62 0.00 2.99 2.89 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 14K I 8.03 3.56 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.35 0.93 0.00 0.00