NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.4997 8.3249 122.8235 58.2678 41.0369 175.8579 2 V 3.9057 6.5075 119.9606 59.7575 28.4010 175.3678 3 N 4.5024 8.1220 120.9416 56.2916 39.5721 176.3076 4 Q 3.9923 8.0899 120.4328 59.6425 29.3072 177.7715 5 H 4.1494 8.1674 118.6637 59.2626 29.6199 177.0753 6 L 4.0720 8.1878 120.9246 57.7597 41.4548 178.5612 7 C 4.4644 8.4722 118.7444 59.3277 38.4535 175.7994 8 G 3.4965 8.3031 107.8394 47.2793 0.0000 176.0055 9 S 3.9998 7.8934 116.5862 61.7466 63.0004 176.3866 10 H 4.1558 7.9539 119.5627 58.4378 28.3517 177.7892 11 L 3.9154 7.9751 120.8957 57.6991 41.3632 179.7715 12 V 3.2400 7.5197 118.1332 65.6413 31.4449 177.7865 13 E 3.9579 7.7376 118.2075 59.0459 29.4766 178.6687 14 A 3.9981 8.2154 121.1691 55.0995 18.3734 179.6432 15 L 3.7607 7.9684 117.7724 57.7134 41.3510 179.0771 16 Y 4.2735 7.8594 119.6043 60.7757 38.5378 178.2789 17 L 3.7807 7.6718 118.4055 57.7751 41.8380 179.3640 18 V 3.7104 7.5876 116.9469 66.0086 31.7897 177.1640 19 C 4.4895 8.6725 116.6002 56.8810 36.0364 175.5624 20 G 3.4575 8.3206 108.8401 46.4049 0.0000 176.5725 21 E 3.9563 8.9367 124.1456 58.6763 29.6101 177.8603 22 R 3.9283 8.0128 117.6761 57.0159 30.5686 178.1296 23 G 3.9679 8.2416 107.5752 45.9574 0.0000 171.6495 24 F 5.0821 7.4234 111.9891 56.6715 39.8995 172.7048 25 F 4.7056 9.2798 119.0270 55.9724 41.6367 175.3726 26 Y 4.7410 8.5610 125.7868 55.7078 38.1321 173.0886 27 T 4.4059 7.7110 112.9428 59.8296 70.4941 176.6104 28 D 4.3712 8.7643 125.4623 56.1571 40.9609 176.8164 29 K 4.2738 7.8947 117.9878 56.3097 32.9766 176.4626 30 A 4.5927 7.6390 118.0015 52.5590 20.1619 177.1571 31 A 4.0327 8.6386 119.3560 51.8118 18.9849 178.9552 32 K 3.9902 7.7367 120.2988 59.2609 32.3567 178.9177 33 G 3.6508 7.9473 105.5777 48.0621 0.0000 175.4589 34 I 3.5220 7.3681 121.4099 63.0730 37.9096 178.0435 35 V 3.5915 7.7303 119.4728 65.7993 31.1298 177.8755 36 E 3.9955 8.2286 117.8556 59.2862 29.1305 178.9619 37 Q 4.1215 8.5568 119.9391 59.2854 29.1336 176.7430 38 C 4.8852 8.0936 115.4646 56.6929 40.6673 173.9909 39 C 4.7256 8.1035 117.6588 56.7450 40.5411 173.9103 40 T 4.4954 7.2886 109.2038 60.8442 69.4584 173.5902 41 S 4.4951 7.3494 114.7037 57.6681 65.7993 174.7535 42 I 3.9734 8.2712 123.4544 60.9517 36.7695 176.7695 43 C 4.7013 8.6348 124.3007 56.4644 40.9695 174.7374 44 S 4.4974 10.6976 119.9673 57.9797 64.9313 175.4833 45 L 3.9208 8.2505 121.1435 57.7949 41.0251 179.2483 46 Y 4.1013 7.6010 115.8190 61.0256 37.9645 178.0852 47 Q 4.2059 8.6232 119.5708 58.9299 28.7471 178.6316 48 L 4.2020 8.2941 120.3284 57.9066 41.7059 179.1564 49 E 3.9957 8.3641 118.7585 58.8085 29.2901 178.1740 50 N 4.4864 7.8668 115.3065 55.2922 38.4700 174.9701 51 Y 4.7324 7.7724 117.1669 57.8576 38.3045 175.1151 52 C 4.8376 8.0435 118.0163 56.0708 41.4384 173.3713 53 N 4.6382 9.1630 119.5580 54.1160 38.4983 174.8098 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 4.50 0.00 3.03 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 V 6.51 3.91 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 0.66 0.00 0.00 0.53 0.00 0.00 3 N 8.12 4.50 0.00 2.82 2.94 0.00 0.00 6.61 7.71 0.00 0.00 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 Q 8.09 3.99 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 5 H 8.17 4.15 0.00 3.23 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.19 4.07 0.00 2.11 1.78 0.96 0.82 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 7 C 8.47 4.46 0.00 3.10 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 8 G 8.30 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 9 S 7.89 4.00 0.00 3.96 3.95 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 10 H 7.95 4.16 0.00 3.31 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.98 3.92 0.00 1.81 1.68 0.93 0.78 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 12 V 7.52 3.24 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.14 0.00 0.00 13 E 7.74 3.96 0.00 2.17 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 0.00 2.28 2.39 0.00 14 A 8.22 4.00 1.35 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 0.00 0.00 0.00 15 L 7.97 3.76 0.00 0.98 0.46 0.56 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.86 4.27 0.00 3.26 3.23 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 0.00 17 L 7.67 3.78 0.00 1.83 1.67 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.59 3.71 2.09 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 0.78 0.00 0.00 0.91 0.00 0.00 19 C 8.67 4.49 0.00 3.24 3.42 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 0.00 20 G 8.32 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.94 3.96 0.00 1.93 1.99 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 2.29 2.33 0.00 22 R 8.01 3.93 0.00 2.05 2.17 0.00 3.36 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 23 G 8.24 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.42 5.08 0.00 3.28 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 25 F 9.28 4.71 0.00 3.08 3.05 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 0.00 0.00 0.00 26 Y 8.56 4.74 0.00 3.25 3.03 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 0.00 0.00 0.00 0.00 27 T 7.71 4.41 4.26 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 1.36 0.00 0.00 28 D 8.76 4.37 0.00 2.67 2.78 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 0.00 0.00 0.00 0.00 29 K 7.89 4.27 0.00 1.66 1.79 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.46 7.81 30 A 7.64 4.59 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 31 A 8.64 4.03 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.74 3.99 0.00 1.80 1.79 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.56 7.81 33 G 7.95 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.37 3.52 0.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.68 0.00 0.00 35 V 7.73 3.59 2.15 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 1.00 0.00 0.00 0.98 0.00 0.00 36 E 8.23 4.00 0.00 2.23 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 2.36 2.35 0.00 37 Q 8.56 4.12 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 38 C 8.09 4.89 0.00 3.11 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 39 C 8.10 4.73 0.00 3.05 3.11 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 0.00 0.00 0.00 40 T 7.29 4.50 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 41 S 7.35 4.50 0.00 3.80 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 42 I 8.27 3.97 1.88 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 1.41 0.54 0.92 0.00 0.00 43 C 8.63 4.70 0.00 3.00 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 44 S 10.70 4.50 0.00 4.24 4.12 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 45 L 8.25 3.92 0.00 1.32 1.46 0.86 0.73 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 46 Y 7.60 4.10 0.00 3.03 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 47 Q 8.62 4.21 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 48 L 8.29 4.20 0.00 1.84 1.74 0.90 1.11 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 49 E 8.36 4.00 0.00 2.15 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 2.34 2.38 0.00 50 N 7.87 4.49 0.00 2.50 2.51 0.00 0.00 6.87 8.23 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 51 Y 7.77 4.73 0.00 3.02 2.90 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 52 C 8.04 4.84 0.00 3.06 3.23 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 0.00 53 N 9.16 4.64 0.00 2.93 2.96 0.00 0.00 7.00 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00