NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6493 8.3601 120.5438 54.2580 42.5058 176.1914 2 A 4.0175 5.8698 128.0082 55.3829 19.5580 176.8151 3 E 4.4169 8.1197 116.1745 56.3478 29.8263 176.3985 4 F 4.1380 8.6205 122.9425 59.8388 40.0428 174.8728 5 G 4.0803 6.9589 107.0008 45.9862 0.0000 171.3133 6 H 4.8265 7.7917 114.0874 58.0451 30.6173 176.6609 7 D 4.3461 8.0432 118.2853 57.3937 41.6599 176.8822 8 S 4.3555 7.7835 113.5187 59.4155 63.4505 174.7841 9 G 3.5019 8.0560 111.3799 49.0740 0.0000 179.1715 10 F 3.2039 7.4296 108.8384 57.6103 42.1832 176.7253 11 E 3.9033 5.9000 119.3087 56.9535 27.2122 179.9644 12 V 2.9239 6.8144 115.8082 65.0319 34.5931 174.6641 13 R 4.2012 7.4334 116.3537 56.8580 29.7383 177.2815 14 H 3.8019 8.2700 111.8939 55.8297 27.2397 175.1370 15 Q 3.5650 7.8530 123.1469 57.3643 29.1588 175.7637 16 K 3.9163 7.6309 115.5437 59.0224 33.1797 178.6105 17 L 4.1107 8.1123 121.8031 58.0884 42.0090 178.8160 18 V 3.7335 7.9149 116.9652 65.2521 31.3966 176.7604 19 F 4.2159 9.2165 119.7323 59.1859 38.3735 177.2897 20 F 4.2093 8.7188 121.7132 61.8698 39.9545 177.3032 21 A 3.9000 8.3520 120.2881 54.8680 17.8705 178.9540 22 E 3.9227 8.0145 116.4986 58.5826 29.9403 177.6735 23 D 4.3682 8.1283 118.0988 57.6175 41.4252 178.5272 24 V 3.6803 7.5686 112.2275 63.5460 32.5956 178.5530 25 G 3.9233 7.7190 106.8476 44.6453 0.0000 174.3115 26 S 4.1964 8.1943 113.3245 60.7746 65.7800 178.0540 27 N 3.2124 7.8877 109.8456 51.1858 39.6708 174.1750 28 K 4.1323 9.4529 124.8650 57.8351 32.2768 176.5155 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 D 8.36 4.65 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 2 A 5.87 4.02 1.32 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 0.00 0.00 0.00 3 E 8.12 4.42 0.00 1.97 1.98 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 2.34 2.39 0.00 4 F 8.62 4.14 0.00 3.11 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.96 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 7.79 4.83 0.00 3.20 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.04 4.35 0.00 2.78 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 8 S 7.78 4.36 0.00 4.04 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 9 G 8.06 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.43 3.20 0.00 3.28 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 11 E 5.90 3.90 0.00 1.18 1.66 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 0.00 2.30 2.09 0.00 12 V 6.81 2.92 2.03 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 0.74 0.00 0.00 0.90 0.00 0.00 13 R 7.43 4.20 0.00 1.91 2.02 0.00 3.34 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 14 H 8.27 3.80 0.00 3.20 3.43 0.00 5.81 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.85 3.57 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 5.94 0.00 0.00 0.00 0.00 0.00 1.82 2.16 0.00 16 K 7.63 3.92 0.00 1.92 2.01 0.00 1.68 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.51 1.36 7.81 17 L 8.11 4.11 0.00 1.83 1.89 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.91 3.73 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.95 0.00 0.00 19 F 9.22 4.22 0.00 3.22 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 20 F 8.72 4.21 0.00 3.20 3.22 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 0.00 21 A 8.35 3.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 3.92 0.00 2.03 2.07 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 2.22 2.31 0.00 23 D 8.13 4.37 0.00 2.65 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 24 V 7.57 3.68 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 -0.04 0.00 0.00 0.67 0.00 0.00 25 G 7.72 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.20 0.00 3.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.89 3.21 0.00 2.76 2.62 0.00 0.00 7.19 7.59 0.00 0.00 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 K 9.45 4.13 0.00 1.87 2.16 0.00 1.46 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.20 1.49 7.81