NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 D 4.6814 8.3493 120.5326 53.7180 42.7387 174.5255 -2 S 4.4228 7.6709 112.6372 57.0780 65.9576 171.4673 -1 K 3.7732 8.7871 118.0323 57.5169 30.7134 178.2087 -2 L 4.2928 7.5209 118.7372 53.8780 44.5576 174.4673 -1 C 4.0032 8.8171 116.2323 59.5169 25.6134 176.2087 3 Y 4.1412 7.9219 120.7795 60.4241 38.2865 177.8716 4 L 3.8946 7.8015 121.0145 57.9070 42.3587 178.7195 5 L 3.9429 7.7885 118.4334 58.0318 41.6512 179.0788 6 D 4.4906 8.0874 118.4402 57.0710 40.6438 178.9385 7 G 3.4368 7.7811 106.2485 47.7828 0.0000 175.7806 8 I 3.7408 7.5881 122.7476 64.0301 37.2463 178.5925 9 L 4.0227 7.9819 119.7189 57.6492 41.4813 179.3929 10 F 4.0772 8.8459 120.8816 61.5659 39.3500 177.1677 11 I 3.6369 8.2568 119.7341 64.5608 36.8695 177.7544 12 Y 4.0005 8.2944 120.5073 60.6298 38.5252 178.4892 13 G 3.4972 7.9753 106.6097 47.5737 0.0000 175.9813 14 V 3.3825 7.2964 120.4241 65.8360 31.4870 178.2812 15 I 3.6203 7.7374 119.7958 64.0509 36.8196 178.3172 16 L 3.7483 7.5572 121.1819 58.4060 41.8992 179.0297 17 T 3.8557 8.0039 115.7084 66.4714 68.3463 176.3561 18 A 4.0001 8.0696 122.5827 55.3964 18.5590 179.8132 19 L 3.9979 7.7321 117.0536 57.5571 41.6797 179.7007 20 F 4.0321 8.3238 120.8815 61.3835 39.4640 177.2583 21 L 4.0048 8.3283 118.7697 57.6833 41.1750 179.3793 22 R 3.9660 7.8701 117.8992 59.6371 30.0665 178.4874 23 V 3.6358 7.3150 116.3367 65.5689 31.5146 177.5562 24 K 3.7036 7.2618 118.4956 57.8495 32.2316 176.8317 25 F 4.5778 7.4290 117.5910 55.6662 39.9801 176.1475 26 S 4.3461 8.4989 120.0987 57.6193 63.6716 173.9566 27 R 3.9930 8.2817 121.9542 56.0002 30.3622 176.4943 28 S 4.2829 8.4515 118.5623 57.7884 63.6111 173.7851 29 A 4.1267 8.2165 123.5641 51.9568 18.7471 177.5011 30 D 4.5625 8.7149 119.1338 54.9566 40.8550 176.9141 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 -3 D 8.35 4.68 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 7.67 4.42 0.00 3.99 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 3.77 0.00 1.97 1.90 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.73 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.36 7.81 -2 L 7.52 4.29 0.00 1.72 1.52 0.92 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 -1 C 8.82 4.00 0.00 3.06 3.08 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 3 Y 7.92 4.14 0.00 3.08 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 4 L 7.80 3.89 0.00 1.84 1.81 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.79 3.94 0.00 1.91 1.69 0.98 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.09 4.49 0.00 2.53 2.64 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 7 G 7.78 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.59 3.74 1.87 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 1.53 0.92 0.92 0.00 0.00 9 L 7.98 4.02 0.00 1.74 1.74 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.85 4.08 0.00 3.14 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 3.64 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 0.92 0.00 0.00 12 Y 8.29 4.00 0.00 3.18 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 13 G 7.98 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 14 V 7.30 3.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.42 0.00 0.00 15 I 7.74 3.62 1.64 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.27 0.80 0.00 0.00 16 L 7.56 3.75 0.00 1.33 1.45 0.89 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.00 3.86 4.18 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 1.22 0.00 0.00 18 A 8.07 4.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 4.00 0.00 1.79 1.73 0.87 1.42 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 20 F 8.32 4.03 0.00 3.20 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.00 0.00 1.85 1.94 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.87 3.97 0.00 1.93 2.10 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 23 V 7.32 3.64 1.94 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 0.66 0.00 0.00 0.92 0.00 0.00 24 K 7.26 3.70 0.00 1.28 1.39 0.00 1.16 0.00 0.00 1.37 0.00 0.00 2.92 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.79 1.10 7.81 25 F 7.43 4.58 0.00 3.12 2.94 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 26 S 8.50 4.35 0.00 3.98 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 R 8.28 3.99 0.00 1.79 1.87 0.00 3.24 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 28 S 8.45 4.28 0.00 4.01 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.22 4.13 1.26 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 0.00 0.00 0.00 30 D 8.71 4.56 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00