NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.6127 8.0276 121.1459 55.7578 43.4639 174.5627 3 V 4.8088 8.4189 117.8169 58.9599 34.0344 174.2966 4 T 4.5830 9.3151 117.7275 60.1625 72.1835 174.6299 5 A 5.1890 7.8141 122.4371 49.4651 21.4953 175.5842 6 F 5.0307 8.5098 120.9181 55.7238 42.3700 176.8952 7 S 4.3137 8.9838 115.4412 61.0835 63.6364 174.0144 8 N 5.2336 7.7241 116.0760 49.3705 40.6830 174.3594 9 M 3.6782 8.5333 116.2647 58.7973 31.7254 177.5269 10 D 4.1534 7.8705 117.5842 57.3247 41.3691 177.7400 11 D 4.2504 8.1761 118.3046 57.4225 41.1993 177.9480 12 M 2.9068 7.3307 118.2247 58.3570 31.9920 178.1987 13 L 3.2678 7.4602 117.4641 56.5727 41.7357 178.3867 14 Q 4.5614 7.1718 115.3040 55.1923 29.9505 175.4092 15 K 4.5747 7.8670 120.1478 55.6807 33.3819 178.2733 16 A 4.3246 8.4188 123.5453 55.2258 18.7264 179.4010 17 H 4.5508 8.1825 109.0358 56.5822 29.1340 175.6650 18 L 4.6312 7.7011 119.4958 54.6065 41.8539 176.5554 19 V 4.4916 7.3599 111.7939 59.7266 35.2966 174.9979 20 I 4.1146 8.2664 124.7311 59.6251 38.9339 174.6753 21 E 4.0195 8.4033 123.3522 58.1012 29.6943 177.1068 22 G 3.7985 9.7049 110.7611 45.6998 0.0000 172.7802 23 T 4.6566 7.2176 115.5167 61.3895 71.4407 173.6873 24 F 5.0580 8.6503 124.4922 57.0678 41.0624 174.8067 25 I 5.1628 9.8141 123.4389 59.8545 40.5578 173.5663 26 Y 4.6357 8.8766 128.7297 55.7298 40.9941 174.1735 27 L 4.7886 8.2900 127.6035 52.1532 42.6797 177.6684 28 R 3.5640 8.3766 121.7751 59.1066 29.8483 177.7623 29 D 4.4364 7.8765 117.9753 56.8127 40.7459 177.6682 30 S 4.5072 7.8871 109.3792 57.2054 63.7347 173.5482 31 T 3.3279 7.0152 109.6863 62.0488 68.0796 171.2803 32 E 4.8782 7.4255 118.1320 55.6679 33.9624 175.6986 33 F 5.5346 8.5973 118.8334 56.0033 42.4268 174.5344 34 F 5.3756 10.0715 121.3585 55.7632 43.5767 173.8588 35 I 5.0102 9.1226 121.5959 59.5384 40.4545 174.8423 36 R 4.6005 9.1137 128.1375 56.3686 30.9261 175.7207 37 V 4.8695 7.8923 121.0982 59.1863 34.9979 174.9477 38 R 3.8616 8.3400 121.6534 57.8362 30.1228 176.0717 39 D 4.4945 8.5478 124.2010 53.1878 38.5042 175.2842 40 G 3.5379 6.3518 105.8157 45.6988 0.0000 171.6081 41 W 5.7905 8.2518 119.5525 55.0722 33.5867 175.1614 42 K 4.8679 9.2629 120.9908 54.5121 35.6696 175.9126 43 K 3.8526 8.8834 126.3474 55.9794 33.0516 175.8218 44 L 4.2970 8.4826 129.7780 54.6428 42.8713 176.3248 45 Q 4.2024 8.7396 125.8159 55.5759 28.9984 175.2998 46 L 4.7967 8.2963 122.6519 52.6402 44.8698 177.2118 47 G 3.9847 8.1921 109.4876 44.4771 0.0000 173.3368 48 E 4.0366 8.4698 118.1558 56.1607 29.9382 176.6172 49 L 4.0734 8.3278 123.8104 54.7746 42.4444 176.3487 50 I 4.2371 8.1884 127.9947 58.9553 37.3947 174.0000 51 P 4.4554 0.0000 0.0000 62.1256 31.9267 176.3851 52 I 3.7196 8.1139 121.2111 60.5251 37.5087 173.7815 53 P 4.0791 0.0000 0.0000 62.9791 31.3183 176.1052 54 A 4.1870 8.5285 125.1141 52.3563 18.4743 176.7991 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 2 L 8.03 4.61 0.00 1.84 1.89 0.97 0.20 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 3 V 8.42 4.81 2.28 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 0.83 0.00 0.00 1.28 0.00 0.00 4 T 9.32 4.58 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 1.19 0.00 0.00 5 A 7.81 5.19 1.24 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 0.00 0.00 0.00 6 F 8.51 5.03 0.00 2.93 2.89 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 7 S 8.98 4.31 0.00 3.89 4.14 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 0.00 0.00 0.00 0.00 8 N 7.72 5.23 0.00 2.82 3.20 0.00 0.00 5.72 7.66 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 9 M 8.53 3.68 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.11 0.00 10 D 7.87 4.15 0.00 2.81 2.61 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 11 D 8.18 4.25 0.00 2.80 2.61 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 12 M 7.33 2.91 0.00 1.65 1.73 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.28 0.00 13 L 7.46 3.27 0.00 1.48 1.51 0.71 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.17 4.56 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.42 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 15 K 7.87 4.57 0.00 1.20 1.61 0.00 1.24 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.25 1.24 7.81 16 A 8.42 4.32 1.19 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 0.00 0.00 17 H 8.18 4.55 0.00 3.28 3.45 0.00 5.71 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 18 L 7.70 4.63 0.00 1.96 1.86 0.99 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.36 4.49 2.24 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 0.91 0.00 0.00 1.31 0.00 0.00 20 I 8.27 4.11 1.88 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 1.47 1.22 0.92 0.00 0.00 21 E 8.40 4.02 0.00 2.05 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 22 G 9.70 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.22 4.66 4.34 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 1.35 0.00 0.00 24 F 8.65 5.06 0.00 3.09 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 25 I 9.81 5.16 2.30 0.00 0.00 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 1.31 0.94 1.15 0.00 0.00 26 Y 8.88 4.64 0.00 2.37 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 27 L 8.29 4.79 0.00 1.41 1.44 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.38 3.56 0.00 1.89 2.05 0.00 3.06 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 29 D 7.88 4.44 0.00 2.68 2.73 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 30 S 7.89 4.51 0.00 3.95 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 31 T 7.02 3.33 4.36 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 1.31 0.00 0.00 32 E 7.43 4.88 0.00 1.96 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 0.00 2.28 2.42 0.00 33 F 8.60 5.53 0.00 3.05 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 34 F 10.07 5.38 0.00 3.02 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 35 I 9.12 5.01 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.14 0.75 0.00 0.00 36 R 9.11 4.60 0.00 2.10 1.95 0.00 2.70 0.00 0.00 3.10 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.54 0.00 37 V 7.89 4.87 2.04 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 0.69 0.00 0.00 0.93 0.00 0.00 38 R 8.34 3.86 0.00 1.72 1.79 0.00 3.28 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 39 D 8.55 4.49 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.35 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.25 5.79 0.00 3.29 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 42 K 9.26 4.87 0.00 1.77 1.73 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 43 K 8.88 3.85 0.00 1.29 1.54 0.00 1.49 0.00 0.00 1.49 0.00 0.00 2.60 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.14 0.69 7.81 44 L 8.48 4.30 0.00 1.78 1.76 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.74 4.20 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 46 L 8.30 4.80 0.00 1.62 1.57 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.19 3.98 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 0.00 0.00 0.00 48 E 8.47 4.04 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.25 0.00 49 L 8.33 4.07 0.00 1.60 1.59 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.19 4.24 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 1.47 0.71 0.91 0.00 0.00 51 P 0.00 4.46 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 52 I 8.11 3.72 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 1.42 0.81 0.91 0.00 0.00 53 P 0.00 4.08 0.00 2.03 2.06 0.00 3.67 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 2.03 2.11 0.00 54 A 8.53 4.19 1.23 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 0.00 0.00