NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6534 8.3249 119.4819 57.3753 40.3933 173.8336 2 E 4.5449 8.4233 121.3113 53.4494 32.5975 174.3865 3 N 4.5702 9.5164 121.6705 53.7875 39.6566 174.3248 4 R 4.6275 8.4125 124.0706 55.9881 31.1710 178.2634 5 V 3.6222 8.3240 120.9324 66.1705 31.3379 177.8264 6 A 4.3856 7.9746 121.2635 54.6925 18.1517 179.3481 7 E 3.9390 8.1174 116.5113 59.5743 29.6355 179.5800 8 K 4.1881 7.9445 118.2787 59.4529 31.8405 179.5274 9 Q 4.1057 8.6807 119.0535 58.6502 28.4687 178.6377 10 K 3.9563 8.0690 120.6766 59.4008 32.4499 178.5266 11 L 3.7923 7.7828 120.5512 58.1556 41.8214 178.3840 12 F 4.5451 8.1204 114.1941 58.4340 39.2258 176.5610 13 Q 4.6568 7.5313 116.6740 54.1607 29.6093 175.1224 14 E 3.9012 7.1985 121.0664 56.4567 29.9200 177.3348 15 D 4.6537 8.5351 127.2737 53.5913 39.1433 174.7608 16 N 4.7712 8.0775 115.7426 51.2771 38.1976 176.3669 17 G 3.8989 8.1470 105.3169 46.1802 0.0000 173.9599 18 L 4.2386 7.8336 119.9358 53.1213 42.5054 175.3372 19 P 4.4644 0.0000 0.0000 62.1907 31.7775 177.4797 20 V 3.6713 8.6566 120.2629 65.4042 30.9806 177.4124 21 H 4.5887 8.1948 112.8461 56.5566 28.7644 175.2630 22 L 4.7504 8.1766 119.1478 54.1427 43.2595 177.8011 23 K 4.1018 7.8957 118.9356 58.0719 32.3125 177.9775 24 G 3.6248 8.7101 107.6768 47.5791 0.0000 173.8541 25 G 3.6712 7.4070 105.9003 44.2631 0.0000 173.4376 26 A 4.0175 8.6094 120.8403 55.6378 18.1497 180.2047 27 T 3.8954 7.9036 113.8645 66.7720 68.4442 176.3224 28 D 4.4372 7.9669 120.9089 57.4144 40.7719 178.5079 29 N 4.4111 8.1747 116.3473 56.4534 38.5564 177.2731 30 I 3.7134 7.6623 120.5978 64.4349 37.1917 178.2225 31 L 3.9501 8.3118 121.4902 58.2465 41.8123 178.3719 32 Y 4.0837 8.4126 119.6512 60.9376 38.8300 178.2689 33 R 3.6380 8.3242 119.1575 59.0481 30.1175 179.3391 34 V 3.5148 7.9982 118.2066 66.1728 31.5494 178.1348 35 T 3.7920 7.9617 115.6307 67.0095 68.2936 176.2904 36 M 3.8916 7.9670 120.2868 58.7700 32.0471 178.4099 37 T 3.8099 7.7701 115.9229 66.6458 68.5654 176.7189 38 L 3.9712 7.9649 120.8680 57.7885 41.5857 179.4425 39 C 4.1273 8.1913 116.6926 62.9504 28.1692 176.2234 40 L 4.1327 8.3245 121.0655 57.5960 41.1224 179.8751 41 G 3.6957 8.4668 106.1588 47.8789 0.0000 176.0814 42 G 3.7320 8.4385 108.8349 47.6608 0.0000 175.9979 43 T 4.0595 7.8842 119.3711 65.8876 68.5048 176.8488 44 L 4.0619 8.1249 120.9903 58.0479 41.6256 178.9399 45 Y 4.4786 8.4307 119.8984 60.8393 38.2343 178.3088 46 S 3.9105 8.3032 115.2772 61.2617 63.0432 176.5251 47 L 4.0443 8.0178 122.6629 57.6900 41.3613 178.7673 48 Y 4.2513 8.2059 119.4777 61.0499 38.6935 177.9172 49 C 3.7431 8.0508 117.7288 62.4849 28.1205 175.9055 50 L 4.0266 8.1643 122.2815 58.0679 41.4702 179.2349 51 G 3.7451 7.9644 104.7541 47.4707 0.0000 175.2658 52 W 4.1829 8.1589 130.4167 60.2987 30.6045 178.0715 53 A 4.0681 8.3504 119.0512 54.6359 17.8751 179.3889 54 S 3.9663 8.0033 113.1686 59.5776 63.2083 174.3461 55 F 4.6524 6.9178 119.9636 54.3807 40.8258 173.7567 56 P 4.3317 0.0000 0.0000 63.1854 31.8169 176.1977 57 H 4.5860 8.2079 118.4002 58.0430 29.6044 174.4756 58 K 4.3538 8.0033 123.9088 56.9831 31.9935 174.7410 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 F 8.32 4.65 0.00 2.93 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.42 4.54 0.00 2.01 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 0.00 2.22 2.37 0.00 3 N 9.52 4.57 0.00 2.71 2.78 0.00 0.00 6.87 7.65 0.00 0.00 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 R 8.41 4.63 0.00 1.89 1.90 0.00 3.45 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.54 0.00 5 V 8.32 3.62 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 1.05 0.00 0.00 0.99 0.00 0.00 6 A 7.97 4.39 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.94 0.00 2.18 2.02 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 2.41 2.42 0.00 8 K 7.94 4.19 0.00 2.02 2.08 0.00 1.97 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.66 1.72 7.81 9 Q 8.68 4.11 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 10 K 8.07 3.96 0.00 1.96 2.00 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.78 3.79 0.00 1.66 1.62 0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.12 4.55 0.00 3.19 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.53 4.66 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 14 E 7.20 3.90 0.00 2.16 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 2.22 0.00 15 D 8.54 4.65 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.08 4.77 0.00 2.78 2.82 0.00 0.00 6.33 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.15 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.83 4.24 0.00 1.78 1.57 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.46 0.00 2.21 2.16 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.83 0.00 20 V 8.66 3.67 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 0.85 0.00 0.00 0.92 0.00 0.00 21 H 8.19 4.59 0.00 3.31 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.18 4.75 0.00 1.51 1.57 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.90 4.10 0.00 2.00 2.12 0.00 2.03 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.37 1.35 7.81 24 G 8.71 3.62 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 0.00 0.00 0.00 25 G 7.41 3.67 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 0.00 0.00 0.00 26 A 8.61 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 3.90 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 28 D 7.97 4.44 0.00 2.83 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 29 N 8.17 4.41 0.00 3.03 2.93 0.00 0.00 7.12 7.25 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 30 I 7.66 3.71 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.93 0.00 0.00 31 L 8.31 3.95 0.00 1.90 1.74 0.94 0.78 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 32 Y 8.41 4.08 0.00 3.19 3.28 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 33 R 8.32 3.64 0.00 2.12 1.94 0.00 3.28 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 34 V 8.00 3.51 2.23 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 1.01 0.00 0.00 0.94 0.00 0.00 35 T 7.96 3.79 4.29 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 1.19 0.00 0.00 36 M 7.97 3.89 0.00 1.66 1.43 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 37 T 7.77 3.81 4.35 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 1.17 0.00 0.00 38 L 7.96 3.97 0.00 1.82 1.70 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.19 4.13 0.00 3.08 2.96 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 40 L 8.32 4.13 0.00 1.65 1.71 0.91 0.76 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 41 G 8.47 3.70 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 0.00 0.00 0.00 42 G 8.44 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.88 4.06 4.42 0.00 0.00 0.00 0.00 0.00 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 44 L 8.12 4.06 0.00 1.96 1.79 0.94 0.66 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 45 Y 8.43 4.48 0.00 3.01 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 3.91 0.00 4.05 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 47 L 8.02 4.04 0.00 2.02 1.83 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.21 4.25 0.00 3.15 3.26 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 49 C 8.05 3.74 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.16 4.03 0.00 1.75 1.87 0.93 0.88 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 51 G 7.96 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.16 4.18 0.00 2.97 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.07 1.44 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 54 S 8.00 3.97 0.00 3.89 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 6.92 4.65 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.11 1.97 0.00 3.84 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 57 H 8.21 4.59 0.00 2.99 3.29 0.00 5.97 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.00 4.35 0.00 1.80 1.91 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.35 7.81