NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4141 0.0000 0.0000 62.3535 32.1978 175.2704 2 K 4.0912 7.9934 118.6553 55.8301 33.8892 176.1451 3 I 3.6711 8.2800 123.5044 60.7982 38.9940 175.7731 4 K 4.5582 8.4365 123.9903 54.8551 34.1134 175.4917 5 T 4.3977 8.1864 122.1683 62.1809 69.8677 175.7971 6 V 3.7515 8.2877 125.5603 63.1332 30.3745 176.3607 7 R 4.0263 8.5119 125.5484 59.4734 30.1650 177.2420 8 G 3.6137 8.1928 105.1853 47.5594 0.0000 175.0529 9 A 3.9460 8.0070 122.3785 54.3695 18.4198 179.1645 10 A 4.1036 8.0563 117.6286 53.9620 18.4879 178.7212 11 K 4.4455 7.8877 116.0300 55.9270 32.6437 176.7838 12 R 4.4388 7.6818 113.4201 55.1046 30.7196 174.7392 13 F 5.2328 7.7672 116.5757 55.8933 42.0550 174.4150 14 K 4.5996 9.2839 124.2369 54.8954 35.4640 175.9850 15 K 5.0072 9.2310 129.4900 55.2744 33.5765 176.2286 16 T 4.4859 8.1975 115.0831 61.2914 69.2586 175.0123 17 G 4.0450 8.4687 104.4462 44.2690 0.0000 172.2172 18 K 4.0521 7.6937 120.0533 55.3983 34.6036 174.7784 19 G 3.6127 8.7876 110.1413 48.2069 0.0000 174.3412 20 G 3.7896 7.2657 107.7146 46.0794 0.0000 173.6033 21 F 5.1116 8.2950 114.6857 54.6900 40.9905 174.7431 22 K 4.3889 8.0998 114.9493 57.8949 29.7717 173.6132 23 H 5.1928 8.9214 122.3590 54.3017 31.3392 174.6989 24 K 4.6716 8.3955 120.4097 56.5636 32.8686 175.5313 25 H 4.6280 8.6105 120.3759 54.9692 31.9190 173.0533 26 A 4.0767 8.5090 127.5146 53.0281 19.1659 175.2457 27 N 4.1924 9.2102 113.8551 54.0266 36.4448 175.6836 28 L 4.5493 6.7681 113.9634 52.9503 43.8348 172.5739 29 R 4.7685 7.4296 121.4990 55.8304 33.0173 175.4236 30 H 4.5654 8.4788 112.8248 55.8661 28.6410 177.0536 31 I 3.9604 9.0439 127.7579 62.2953 37.4350 175.4514 32 L 4.7873 8.2919 122.4773 54.6545 44.0746 177.3474 33 T 4.0675 8.1325 115.1495 64.8811 67.4708 176.0391 34 K 4.1448 7.9280 118.5043 58.8832 33.1446 177.5229 35 K 3.9522 7.9681 119.2803 56.1533 32.6164 177.0390 36 A 4.2015 8.5026 125.8364 51.7976 20.2863 178.2182 37 T 3.7915 8.5378 114.3215 65.5678 68.6115 175.8599 38 K 3.7663 8.3013 121.5520 59.1672 31.7770 177.9127 39 R 3.8960 7.9118 120.1920 59.6089 30.2713 178.1752 40 K 4.2260 8.0595 117.6378 58.5617 32.2848 178.9772 41 R 4.0091 8.1374 118.2739 58.8172 30.1215 176.7478 42 H 4.5055 7.8724 112.9929 56.8666 29.1549 175.7482 43 L 4.3542 7.8977 118.3178 54.6941 42.0755 177.8483 44 R 4.0911 7.9057 118.7303 58.2506 30.4673 175.5599 45 P 4.3595 0.0000 0.0000 62.6641 31.6789 175.1868 46 K 4.6217 8.5056 118.8466 55.4462 34.7193 175.1771 47 A 4.9278 8.4741 127.5014 50.4559 22.6077 174.4199 48 M 5.0142 8.3087 114.0409 53.5284 34.1026 176.0799 49 V 3.9678 8.4925 112.7093 61.3025 32.3669 176.8146 50 S 4.4101 8.0437 115.2805 56.7301 63.0680 175.0949 51 K 3.7752 8.3332 127.5750 56.8400 32.9035 177.0189 52 G 4.0181 8.6403 107.4652 49.1677 0.0000 175.0988 53 D 4.4504 7.9543 120.8047 56.1027 40.8099 178.3213 54 L 4.0204 7.9761 121.6068 58.4990 41.8320 179.4580 55 G 3.7945 8.0838 102.9382 47.5922 0.0000 174.7706 56 L 4.1456 7.8534 121.6852 57.4489 41.7827 179.0988 57 V 3.4759 7.6076 117.4573 66.3384 31.1591 178.2419 58 I 3.8448 7.6584 117.9144 63.6226 36.9548 177.2676 59 A 4.4371 8.0253 120.3486 53.3834 19.5450 178.6768 60 C 4.3413 8.0520 116.2362 61.5586 29.2723 173.5528 61 L 5.2671 7.3216 118.7164 53.0226 39.9094 174.5142 62 P 4.2325 0.0000 0.0000 66.8321 31.7426 177.9917 63 Y 3.9418 7.9254 113.6108 60.6376 38.2754 176.0349 64 A 4.2563 7.5877 128.4363 52.8859 18.4101 177.1814 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 P 0.00 4.41 0.00 2.07 2.11 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 2 K 7.99 4.09 0.00 2.09 1.93 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.52 7.81 3 I 8.28 3.67 2.17 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 1.03 0.00 0.00 4 K 8.44 4.56 0.00 1.69 1.67 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.39 7.81 5 T 8.19 4.40 4.25 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 1.24 0.00 0.00 6 V 8.29 3.75 2.16 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 1.04 0.00 0.00 0.96 0.00 0.00 7 R 8.51 4.03 0.00 1.81 1.95 0.00 3.34 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 8 G 8.19 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.95 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.45 0.00 1.79 1.78 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.53 7.81 12 R 7.68 4.44 0.00 1.21 1.66 0.00 2.99 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.23 0.00 13 F 7.77 5.23 0.00 2.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 9.28 4.60 0.00 1.84 1.71 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.58 7.81 15 K 9.23 5.01 0.00 2.09 1.83 0.00 1.75 0.00 0.00 2.07 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 0.98 7.81 16 T 8.20 4.49 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 1.23 0.00 0.00 17 G 8.47 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 4.05 0.00 1.79 1.60 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.25 7.81 19 G 8.79 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.27 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 8.30 5.11 0.00 3.10 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 22 K 8.10 4.39 0.00 1.85 1.85 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.46 7.81 23 H 8.92 5.19 0.00 3.30 3.69 0.00 5.79 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.40 4.67 0.00 1.76 1.75 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.37 7.81 25 H 8.61 4.63 0.00 3.17 3.20 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.51 4.08 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 27 N 9.21 4.19 0.00 2.90 2.95 0.00 0.00 6.72 7.78 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 28 L 6.77 4.55 0.00 1.61 1.51 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.43 4.77 0.00 1.85 1.94 0.00 3.01 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.00 30 H 8.48 4.57 0.00 3.12 2.72 0.00 5.90 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 9.04 3.96 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.48 0.92 0.00 0.00 32 L 8.29 4.79 0.00 1.57 1.61 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.13 4.07 4.25 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 1.22 0.00 0.00 34 K 7.93 4.14 0.00 1.91 1.93 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.46 7.81 35 K 7.97 3.95 0.00 1.89 1.81 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.40 7.81 36 A 8.50 4.20 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.54 3.79 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 38 K 8.30 3.77 0.00 1.86 1.80 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.57 7.81 39 R 7.91 3.90 0.00 1.85 2.19 0.00 3.29 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 40 K 8.06 4.23 0.00 2.00 1.83 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.62 7.81 41 R 8.14 4.01 0.00 1.88 2.05 0.00 3.31 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 42 H 7.87 4.51 0.00 3.13 3.33 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.90 4.35 0.00 1.72 1.68 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.91 4.09 0.00 1.77 1.95 0.00 3.21 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 45 P 0.00 4.36 0.00 2.15 2.04 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 46 K 8.51 4.62 0.00 2.05 1.80 0.00 1.45 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.29 1.47 7.81 47 A 8.47 4.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.31 5.01 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 49 V 8.49 3.97 2.08 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 0.76 0.00 0.00 1.00 0.00 0.00 50 S 8.04 4.41 0.00 3.95 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 51 K 8.33 3.78 0.00 1.96 1.65 0.00 1.63 0.00 0.00 1.81 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.46 7.81 52 G 8.64 4.02 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 0.00 0.00 0.00 53 D 7.95 4.45 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.98 4.02 0.00 1.80 1.85 0.85 0.80 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 55 G 8.08 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.85 4.15 0.00 1.96 1.64 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.61 3.48 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.28 0.00 0.00 58 I 7.66 3.84 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.06 0.96 0.00 0.00 59 A 8.03 4.44 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.05 4.34 0.00 3.07 2.98 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 0.00 0.00 0.00 61 L 7.32 5.27 0.00 1.80 1.74 0.58 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.23 0.00 2.04 2.11 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 63 Y 7.93 3.94 0.00 2.99 2.99 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 64 A 7.59 4.26 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00