NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6878 8.3249 119.4768 57.3882 40.3909 173.8109 2 E 4.5524 8.4397 121.1073 53.4273 32.6139 174.3757 3 N 4.5504 9.5405 121.7832 53.8991 39.6933 174.3530 4 R 4.6514 8.4143 124.3664 55.9461 31.1741 178.2526 5 V 3.6154 8.3875 121.0097 66.1769 31.3491 177.8124 6 A 4.2876 7.9360 121.2888 54.5807 18.2202 179.3389 7 E 3.9047 8.1190 116.5472 59.6534 29.6728 179.5670 8 K 4.1601 7.9099 118.5808 59.5838 31.7112 179.5084 9 Q 4.1142 8.5611 118.8739 58.7232 28.2253 178.6445 10 K 4.0105 8.0926 120.7363 59.3222 32.0482 178.6268 11 L 3.8132 7.7063 119.4406 58.1229 42.1356 178.4737 12 F 4.3673 8.1426 114.7125 58.6758 39.2237 176.6503 13 Q 4.5886 7.6184 115.9792 54.2403 29.4241 175.2066 14 E 3.8871 7.2504 121.8065 56.5139 30.1227 177.6334 15 D 4.6900 8.5535 127.5554 53.9062 38.8881 174.9645 16 N 4.7306 7.9606 115.0045 51.4046 38.5127 176.3506 17 G 3.9019 8.1046 105.8629 46.2622 0.0000 173.6424 18 L 4.2911 7.9748 119.7686 52.9260 42.5734 175.3266 19 P 4.4856 0.0000 0.0000 62.0997 32.4716 177.4557 20 V 3.6509 8.6469 120.1846 65.4428 30.9716 177.3766 21 H 4.6787 8.1678 112.6548 56.4149 28.7692 175.2514 22 L 4.7424 8.1657 119.0212 54.1129 43.4323 177.8432 23 K 4.1025 7.8195 118.2574 58.0031 32.1926 177.6379 24 G 3.6637 9.0377 107.3088 47.2422 0.0000 173.9529 25 G 3.7938 7.2355 105.8476 43.9328 0.0000 173.6397 26 A 4.0274 8.4503 120.8141 55.1980 18.0830 180.1544 27 T 3.8927 7.8754 114.3781 66.7567 68.5578 176.1884 28 D 4.4459 7.9002 120.9709 57.6352 40.8828 178.7318 29 N 4.4609 8.1694 116.2360 56.3456 38.5247 177.3468 30 I 3.7148 7.6000 120.6021 64.4128 37.2020 178.1246 31 L 3.9407 8.2426 121.4153 58.3187 41.8256 178.3934 32 Y 4.0882 8.2671 119.3336 60.9858 38.8411 178.4206 33 R 3.6797 8.1575 118.8357 58.7707 29.9971 179.4113 34 V 3.4667 7.9560 118.4476 66.2301 31.5306 178.0042 35 T 3.7897 7.9909 115.7138 67.0955 68.2989 176.2744 36 M 3.9029 8.0658 120.1668 58.7851 32.1032 178.4891 37 T 3.8193 7.7187 115.9874 66.4976 68.5741 176.7376 38 L 3.9851 8.0135 120.9814 57.8775 41.6380 179.3296 39 C 4.1188 8.3280 116.8939 62.9187 28.1669 176.2745 40 L 4.1039 8.2844 120.8887 57.6964 41.1514 179.8734 41 G 3.7064 8.5995 106.2456 47.8754 0.0000 175.9930 42 G 3.7556 8.4938 108.9029 47.7166 0.0000 175.9873 43 T 3.9695 7.9840 117.9702 66.4671 68.5116 176.8406 44 L 4.0663 8.0822 120.9498 58.0202 41.5792 178.9182 45 Y 4.4276 8.5111 120.0515 60.8461 38.6790 178.3298 46 S 3.9441 8.3346 115.2650 61.4031 63.0430 176.5229 47 L 3.9921 8.0414 122.6091 57.5269 41.2534 178.8001 48 Y 4.1237 8.1400 119.4960 61.0520 38.7839 177.8826 49 C 3.8783 8.1753 117.8781 62.6820 28.1460 175.9789 50 L 4.0601 8.1893 122.1576 57.9925 41.4547 179.2218 51 G 3.6879 7.8723 104.7593 47.4501 0.0000 175.1724 52 W 4.2761 8.2053 130.7650 60.2723 30.6373 177.9167 53 A 3.6590 8.2537 118.7011 54.2366 17.8504 179.3057 54 S 3.9433 7.8428 113.2783 59.5553 63.2188 174.3496 55 F 4.5615 6.9662 119.5770 54.4843 40.8522 173.7603 56 P 4.3111 0.0000 0.0000 63.0471 31.9340 175.9703 57 H 4.7789 8.1893 117.2165 57.2371 29.6323 174.4669 58 K 4.2625 8.1348 124.0821 57.0235 32.0698 174.7143 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 4.69 0.00 2.92 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 2 E 8.44 4.55 0.00 2.02 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 2.38 0.00 3 N 9.54 4.55 0.00 2.71 2.78 0.00 0.00 6.86 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 4.65 0.00 1.89 1.90 0.00 3.71 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.55 0.00 5 V 8.39 3.62 2.21 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 1.12 0.00 0.00 0.97 0.00 0.00 6 A 7.94 4.29 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 3.90 0.00 2.20 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 7.91 4.16 0.00 1.98 2.07 0.00 1.97 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.75 7.81 9 Q 8.56 4.11 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.65 0.00 10 K 8.09 4.01 0.00 1.97 1.95 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.71 3.81 0.00 1.52 1.64 0.66 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.14 4.37 0.00 3.20 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 13 Q 7.62 4.59 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 14 E 7.25 3.89 0.00 2.01 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 2.29 2.23 0.00 15 D 8.55 4.69 0.00 2.67 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 7.96 4.73 0.00 2.79 2.84 0.00 0.00 6.34 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 8.10 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 7.97 4.29 0.00 1.77 1.57 0.88 0.88 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 4.49 0.00 2.23 2.17 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 1.79 1.85 0.00 20 V 8.65 3.65 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 0.91 0.00 0.00 21 H 8.17 4.68 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 8.17 4.74 0.00 1.51 1.58 0.74 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.82 4.10 0.00 2.05 2.15 0.00 2.07 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.35 7.81 24 G 9.04 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.24 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 26 A 8.45 4.03 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 7.88 3.89 4.28 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 1.24 0.00 0.00 28 D 7.90 4.45 0.00 2.91 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 29 N 8.17 4.46 0.00 2.95 2.94 0.00 0.00 7.11 7.45 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 30 I 7.60 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 0.87 0.93 0.00 0.00 31 L 8.24 3.94 0.00 1.93 1.75 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.27 4.09 0.00 3.22 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 0.00 33 R 8.16 3.68 0.00 2.03 1.91 0.00 3.29 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 34 V 7.96 3.47 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 1.09 0.00 0.00 0.93 0.00 0.00 35 T 7.99 3.79 4.30 0.00 0.00 0.00 0.00 0.00 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 36 M 8.07 3.90 0.00 1.62 1.50 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 37 T 7.72 3.82 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 1.17 0.00 0.00 38 L 8.01 3.99 0.00 1.82 1.70 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.33 4.12 0.00 3.07 2.97 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 40 L 8.28 4.10 0.00 1.71 1.71 0.92 0.84 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 41 G 8.60 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.49 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.97 4.43 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 1.24 0.00 0.00 44 L 8.08 4.07 0.00 1.93 1.79 0.94 0.57 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 45 Y 8.51 4.43 0.00 2.96 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 8.33 3.94 0.00 4.07 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 0.00 47 L 8.04 3.99 0.00 2.01 1.82 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.14 4.12 0.00 3.20 3.32 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 0.00 49 C 8.18 3.88 0.00 2.98 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 50 L 8.19 4.06 0.00 1.76 1.85 0.93 0.87 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 7.87 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.28 0.00 2.98 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 0.00 53 A 8.25 3.66 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 54 S 7.84 3.94 0.00 4.01 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 6.97 4.56 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.31 0.00 2.10 1.94 0.00 3.78 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 57 H 8.19 4.78 0.00 3.05 3.32 0.00 6.00 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.13 4.26 0.00 1.82 1.83 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.36 7.81