NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4839 8.1633 120.2725 55.6009 34.4271 173.2551 2 T 4.8055 7.7174 114.8378 61.4505 71.9835 172.3622 3 Y 4.8975 9.1833 123.8935 56.5204 41.7007 173.8775 4 K 4.7892 8.5472 122.7098 54.9005 34.3607 175.2430 5 L 4.3393 8.7855 129.9614 54.1950 44.1816 175.6129 6 I 4.4154 7.8822 124.0046 59.2998 40.2483 174.6165 7 L 4.1604 8.8250 129.1939 53.8538 42.5075 177.7362 8 N 4.9631 8.3408 124.9048 52.4026 38.5365 176.2058 9 G 4.1105 8.0253 106.8154 45.0098 0.0000 175.4141 10 K 3.9712 8.6739 124.1477 58.4922 32.4604 177.5255 11 T 4.4147 7.5542 106.1030 61.2488 70.1460 174.1281 12 L 4.3063 7.3607 122.6497 54.1292 45.5796 173.0787 13 K 4.9876 8.5556 125.3863 55.1072 34.8494 175.9896 14 G 4.2129 8.0582 110.0283 47.8904 0.0000 170.9265 15 E 5.5015 8.3598 113.5908 56.6802 31.6805 175.6805 16 T 4.7975 7.9125 117.2102 60.7878 71.4190 171.8215 17 T 5.5703 8.4293 115.8845 59.7048 70.5483 173.5727 18 T 4.5655 8.6497 118.0691 60.1956 71.1323 172.0374 19 E 4.9168 8.6936 126.7833 55.6608 30.2996 175.6130 20 A 4.8860 8.6379 125.3898 50.3622 22.1142 176.2657 21 V 3.9473 8.6660 119.0226 63.2582 32.2434 175.3409 22 D 4.8900 7.6901 117.9939 50.6680 42.7814 175.7527 23 A 4.1876 8.6878 119.6546 55.0156 17.8782 179.2473 24 A 3.9645 8.0683 118.9125 55.9545 18.4188 179.7694 25 T 3.8024 7.9193 110.8751 64.9363 67.3466 176.2695 26 A 3.8554 7.6829 122.8247 54.9793 18.3158 179.3625 27 E 3.6825 8.5909 117.5558 59.3207 29.4021 179.7388 28 K 3.8225 7.6137 117.8177 58.9169 31.9838 179.3285 29 V 3.4575 7.8651 118.8760 66.1763 31.3358 178.1345 30 F 4.2443 7.8484 117.1615 60.4988 38.7196 177.4376 31 K 3.9624 7.6735 118.9274 59.8123 31.5693 178.5035 32 Q 4.0286 8.2584 119.1051 58.8042 29.1852 177.4088 33 Y 4.0791 7.8105 120.4372 60.6515 39.0732 177.0538 34 A 4.4179 8.9025 122.1238 55.5780 18.4653 179.1185 35 N 4.3813 8.2024 115.1261 56.7243 38.7860 176.1599 36 D 4.6165 8.0964 117.2679 55.2891 40.7100 176.4367 37 N 4.7407 8.0410 115.5230 52.2575 41.5310 174.9446 38 G 3.9855 8.5705 106.1248 46.4114 0.0000 175.5001 39 V 4.3893 7.4024 116.8310 60.6258 32.5488 173.0614 40 D 5.1620 8.2335 124.6723 52.6802 45.3369 173.8008 41 G 4.0193 8.9303 119.5175 45.8269 0.0000 175.4977 42 E 4.8827 6.5455 122.1421 54.5621 32.1184 174.6561 43 W 5.1298 8.8923 121.7782 55.0990 32.3791 174.6730 44 T 4.8789 9.4002 113.5066 60.0843 72.2323 172.0826 45 Y 3.8864 8.2598 121.9468 55.7718 41.7356 175.0159 46 D 4.8418 7.9898 127.6100 52.6162 39.8129 176.1412 47 D 4.6956 8.4245 115.6769 55.0399 41.6052 176.4052 48 A 4.3838 7.9078 121.1849 54.6943 19.0816 179.0918 49 T 4.5432 7.8669 102.9029 61.1322 71.0161 174.3482 50 K 4.0560 8.3936 119.4315 58.3594 29.3767 175.4721 51 T 4.9009 7.1734 113.8911 61.9250 72.8211 175.7217 52 F 4.1336 9.3645 126.1249 57.6605 40.8690 174.9603 53 T 4.9337 8.1520 115.1718 62.6859 73.4263 173.3704 54 V 4.3668 8.2143 124.4091 60.1516 35.3783 174.8544 55 T 4.6349 8.2124 118.3471 61.6534 72.4487 173.9253 56 E 4.0467 8.8021 126.4919 56.4782 29.6396 176.3446 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 M 8.16 4.48 0.00 1.80 1.74 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 T 7.72 4.81 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 1.27 0.00 0.00 3 Y 9.18 4.90 0.00 3.37 3.04 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 4 K 8.55 4.79 0.00 1.90 1.66 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.38 7.81 5 L 8.79 4.34 0.00 0.27 1.16 0.56 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.88 4.42 1.75 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 1.16 0.57 0.83 0.00 0.00 7 L 8.82 4.16 0.00 1.68 1.59 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.34 4.96 0.00 2.70 2.74 0.00 0.00 6.94 6.89 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 9 G 8.03 4.11 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 0.00 0.00 0.00 10 K 8.67 3.97 0.00 1.71 1.84 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 11 T 7.55 4.41 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 12 L 7.36 4.31 0.00 1.71 1.51 0.93 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.56 4.99 0.00 1.63 1.65 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.56 7.81 14 G 8.06 4.21 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 0.00 0.00 0.00 15 E 8.36 5.50 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 16 T 7.91 4.80 4.03 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 0.77 0.00 0.00 17 T 8.43 5.57 4.33 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 1.24 0.00 0.00 18 T 8.65 4.57 3.29 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 0.35 0.00 0.00 19 E 8.69 4.92 0.00 1.87 1.87 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 2.27 2.30 0.00 20 A 8.64 4.89 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.67 3.95 2.12 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 0.78 0.00 0.00 0.98 0.00 0.00 22 D 7.69 4.89 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.69 4.19 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 24 A 8.07 3.96 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 25 T 7.92 3.80 4.32 0.00 0.00 0.00 0.00 0.00 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 26 A 7.68 3.86 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 27 E 8.59 3.68 0.00 2.16 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 2.79 2.92 0.00 28 K 7.61 3.82 0.00 1.73 1.75 0.00 1.63 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.32 7.81 29 V 7.87 3.46 1.95 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 0.59 0.00 0.00 0.83 0.00 0.00 30 F 7.85 4.24 0.00 3.08 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 31 K 7.67 3.96 0.00 1.02 1.68 0.00 0.90 0.00 0.00 1.07 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.40 7.81 32 Q 8.26 4.03 0.00 2.13 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 33 Y 7.81 4.08 0.00 3.14 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 34 A 8.90 4.42 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.38 0.00 3.00 2.98 0.00 0.00 7.10 9.28 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 36 D 8.10 4.62 0.00 2.41 2.46 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 37 N 8.04 4.74 0.00 2.80 2.79 0.00 0.00 6.99 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.57 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 0.00 0.00 0.00 39 V 7.40 4.39 2.14 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 0.90 0.00 0.00 0.95 0.00 0.00 40 D 8.23 5.16 0.00 2.70 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 41 G 8.93 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 42 E 6.55 4.88 0.00 1.90 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 2.31 2.29 0.00 43 W 8.89 5.13 0.00 3.17 3.35 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 44 T 9.40 4.88 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 1.22 0.00 0.00 45 Y 8.26 3.89 0.00 2.71 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.84 0.00 2.73 2.57 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 47 D 8.42 4.70 0.00 2.48 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.91 4.38 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 49 T 7.87 4.54 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 1.22 0.00 0.00 50 K 8.39 4.06 0.00 2.01 1.87 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.57 1.51 7.81 51 T 7.17 4.90 4.20 0.00 0.00 0.00 0.00 0.00 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 52 F 9.36 4.13 0.00 2.40 2.42 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 53 T 8.15 4.93 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 1.16 0.00 0.00 54 V 8.21 4.37 0.67 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 0.40 0.00 0.00 -0.59 0.00 0.00 55 T 8.21 4.63 4.15 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 1.20 0.00 0.00 56 E 8.80 4.05 0.00 1.89 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00