NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1888 8.2549 119.6888 54.8114 31.7705 174.8425 2 P 3.9411 0.0000 0.0000 62.5517 31.8762 176.2054 3 D 4.3690 8.4111 121.6049 57.3477 41.7124 178.5940 4 F 4.5234 7.7674 114.0174 59.3157 37.6379 177.7873 5 C 4.6575 7.8039 116.8966 59.4488 40.0148 174.6870 6 L 4.4707 7.7396 118.2874 53.9985 41.7634 176.1687 7 E 4.5625 7.6943 119.2804 54.0515 31.2139 173.8174 8 P 4.4684 0.0000 0.0000 61.0163 32.0650 174.7284 9 P 3.8027 0.0000 0.0000 63.7138 30.7545 175.9093 10 Y 4.1973 8.2019 123.7311 57.0561 37.9364 174.7767 11 T 4.6156 7.7454 116.3207 60.7841 71.2495 173.7398 12 G 4.0698 8.4472 108.3694 43.8588 0.0000 170.9866 13 P 4.5969 0.0000 0.0000 62.1745 30.1274 177.7252 14 C 4.7439 7.6531 115.0397 56.0660 41.4328 174.6302 15 K 3.8976 8.5469 124.6410 57.8233 32.4257 177.8509 16 A 4.0689 7.8055 121.2519 52.4669 18.6607 176.5666 17 R 4.3363 8.3252 121.1111 56.5947 30.3061 176.1794 18 I 4.0011 7.5045 117.1642 60.3613 37.8439 175.8843 19 I 4.1386 8.0118 125.8332 61.2766 38.1661 175.1956 20 R 4.7763 8.2641 122.8881 55.0564 35.2120 173.5012 21 Y 5.5304 9.6632 118.0823 56.6826 41.1750 175.1329 22 F 5.8175 9.3713 115.7767 55.6706 42.1861 172.6489 23 Y 4.5227 9.9848 122.6750 56.8498 40.2650 173.8596 24 N 4.7901 8.2654 126.6781 51.9102 38.8473 175.2550 25 A 3.7923 8.4857 130.1738 54.7841 18.9554 178.9081 26 K 4.0559 7.9439 114.7050 58.9728 32.1604 177.9899 27 A 4.2671 8.0001 119.3844 51.6754 19.7157 177.4871 28 G 4.1058 8.2086 103.5910 45.7205 0.0000 173.1967 29 L 4.9167 7.0059 117.2232 52.7310 46.5368 175.9519 30 C 5.0181 8.7262 118.4080 56.3634 42.3752 173.0263 31 Q 4.8347 8.6510 122.0479 54.2847 32.9089 174.2892 32 T 5.0671 8.3276 110.2263 60.8220 71.2263 173.8196 33 F 4.9944 8.5960 115.9108 56.0025 41.4425 173.0634 34 V 4.3283 8.3651 119.9748 62.0404 33.6655 175.0442 35 G 3.9122 8.5764 112.1656 45.6309 0.0000 175.1880 36 G 4.3574 7.7947 107.9720 44.9779 0.0000 175.1501 37 G 3.5887 8.1306 110.4260 48.0715 0.0000 173.5959 38 C 4.7376 8.0609 112.1864 54.9676 42.0330 173.2056 39 R 4.8467 7.9879 117.8015 55.2298 33.9123 175.3245 40 A 4.6700 8.1779 121.3742 50.1135 19.0769 174.8026 41 K 4.1891 7.3466 119.3735 55.9808 36.7606 178.2270 42 R 2.0000 7.1337 117.1469 57.1698 28.2497 179.2518 43 N 4.8241 8.2100 114.8764 52.9115 37.8422 172.0410 44 N 5.3150 6.7466 116.6820 52.6385 41.8059 172.9543 45 F 5.0656 9.7429 125.4203 55.5402 42.9309 176.5260 46 K 4.3692 9.1564 122.3348 58.8263 32.7213 177.2244 47 S 4.4704 7.7466 111.8610 55.5316 67.4902 174.5246 48 A 3.4570 7.3240 123.1090 54.5571 18.0043 179.5402 49 E 3.7230 7.7442 117.5926 59.4959 29.8216 178.4942 50 D 4.2764 7.7978 118.6789 57.5343 40.9010 177.9578 51 C 2.4500 7.6236 118.4830 59.5873 43.1574 175.6477 52 M 3.8151 8.1901 120.4786 58.1910 31.2884 179.0199 53 R 3.8745 7.6285 117.6916 59.2536 30.2433 178.9468 54 T 4.0622 7.4752 114.6598 66.1089 68.9469 175.0831 55 C 4.4468 7.9388 116.2384 56.2905 42.1540 174.3112 56 G 3.6923 7.1218 108.7057 47.3584 0.0000 174.0106 57 G 3.8630 8.9180 111.5435 45.0301 0.0000 173.1838 58 A 4.1104 7.5289 127.5239 52.3884 18.2902 177.3141 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 R 8.25 4.19 0.00 1.67 1.74 0.00 3.39 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.43 0.00 2 P 0.00 3.94 0.00 0.84 0.98 0.00 3.44 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 3 D 8.41 4.37 0.00 2.70 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 4 F 7.77 4.52 0.00 3.27 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 7.80 4.66 0.00 3.00 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 6 L 7.74 4.47 0.00 1.81 1.77 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.69 4.56 0.00 2.24 1.98 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 2.37 2.40 0.00 8 P 0.00 4.47 0.00 1.89 1.85 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 9 P 0.00 3.80 0.00 0.49 0.49 0.00 3.31 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.00 10 Y 8.20 4.20 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 4.62 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 1.21 0.00 0.00 12 G 8.45 4.07 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 0.00 0.00 0.00 13 P 0.00 4.60 0.00 2.18 2.09 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 14 C 7.65 4.74 0.00 3.02 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 15 K 8.55 3.90 0.00 1.73 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 16 A 7.81 4.07 1.21 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 17 R 8.33 4.34 0.00 1.76 1.89 0.00 3.22 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 18 I 7.50 4.00 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 0.87 0.00 0.00 19 I 8.01 4.14 1.78 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 1.22 0.39 0.64 0.00 0.00 20 R 8.26 4.78 0.00 0.98 1.89 0.00 3.27 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 21 Y 9.66 5.53 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 22 F 9.37 5.82 0.00 3.28 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 23 Y 9.98 4.52 0.00 3.06 3.08 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 24 N 8.27 4.79 0.00 2.37 2.48 0.00 0.00 6.67 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.49 3.79 1.42 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 0.00 0.00 26 K 7.94 4.06 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.40 7.81 27 A 8.00 4.27 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 28 G 8.21 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 29 L 7.01 4.92 0.00 1.45 1.37 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.73 5.02 0.00 2.88 3.14 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 31 Q 8.65 4.83 0.00 1.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.20 2.10 0.00 32 T 8.33 5.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 33 F 8.60 4.99 0.00 3.11 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 34 V 8.37 4.33 2.05 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 0.75 0.00 0.00 0.85 0.00 0.00 35 G 8.58 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.79 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 0.00 0.00 0.00 0.00 37 G 8.13 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.06 4.74 0.00 3.09 3.17 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 0.00 0.00 0.00 0.00 39 R 7.99 4.85 0.00 2.08 2.08 0.00 3.57 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 40 A 8.18 4.67 1.18 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 0.00 0.00 0.00 41 K 7.35 4.19 0.00 1.42 1.50 0.00 1.36 0.00 0.00 1.49 0.00 0.00 2.70 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.96 0.48 7.81 42 R 7.13 2.00 0.00 1.38 1.54 0.00 3.00 0.00 0.00 2.98 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.83 0.00 43 N 8.21 4.82 0.00 3.23 3.01 0.00 0.00 6.36 6.71 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 44 N 6.75 5.31 0.00 2.93 2.79 0.00 0.00 7.07 7.02 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 45 F 9.74 5.07 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.16 4.37 0.00 1.79 1.94 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.56 7.81 47 S 7.75 4.47 0.00 3.84 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.32 3.46 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 3.72 0.00 1.99 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 2.33 2.40 0.00 50 D 7.80 4.28 0.00 3.05 2.87 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 0.00 0.00 0.00 51 C 7.62 2.45 0.00 2.91 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 52 M 8.19 3.82 0.00 1.95 2.05 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 2.57 2.76 0.00 53 R 7.63 3.87 0.00 1.72 1.93 0.00 3.12 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 54 T 7.48 4.06 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 1.48 0.00 0.00 55 C 7.94 4.45 0.00 2.78 2.27 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 0.00 56 G 7.12 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 57 G 8.92 3.86 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 0.00 0.00 0.00 58 A 7.53 4.11 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