NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4378 8.2493 123.5817 51.8936 21.5571 177.9177 2 K 3.9696 9.3303 120.1915 55.0364 31.9702 176.8099 3 T 4.4282 9.5381 102.5842 61.8662 73.2017 172.4840 4 I 3.4411 7.8779 130.1133 60.0173 37.6268 172.3880 5 K 5.2639 9.3304 123.7261 54.5595 36.1930 175.3472 6 I 5.7149 8.6478 116.7213 58.4514 41.2189 174.4194 7 T 4.9052 8.1135 119.2064 61.7891 71.7759 175.1654 8 Q 3.6988 8.7274 124.6189 58.5931 28.7455 175.4898 9 T 3.4986 7.0861 115.0499 62.7343 67.8246 171.6153 10 R 4.6499 7.2082 119.0401 54.0163 32.9311 176.4946 11 S 4.1149 8.5018 114.9294 58.5926 63.4954 174.6780 12 A 4.7131 8.1897 130.0432 51.4219 18.3215 176.8829 13 I 4.0009 7.6391 126.1486 63.5246 38.0628 179.8198 14 G 4.1776 7.7837 106.7921 45.2905 0.0000 173.7578 15 R 4.4012 7.8509 117.7628 54.5693 31.4753 176.7870 16 L 4.1155 8.2238 119.8395 54.4609 42.1548 176.8920 17 P 4.3548 0.0000 0.0000 65.7238 31.3986 178.3007 18 K 4.3047 7.9883 114.4825 57.7569 32.2061 177.5111 19 H 4.7636 8.3686 117.1497 57.7360 29.5268 177.0388 20 K 3.3880 8.1850 119.5276 59.6008 31.6396 179.1168 21 A 3.9894 7.5413 120.2533 55.4224 18.6801 179.4827 22 T 3.9635 7.7794 107.8735 64.8898 69.1383 176.0305 23 L 3.9170 8.7662 124.3701 57.9013 41.8152 178.9395 24 L 4.1469 8.0160 120.3712 58.0520 41.8733 178.9557 25 G 3.3712 7.7913 104.5412 47.5386 0.0000 174.5056 26 L 4.4608 7.6944 117.6809 53.7129 41.7238 177.7784 27 G 3.9848 8.6473 107.4898 45.8383 0.0000 173.8401 28 L 4.2107 7.5417 119.2168 54.8697 41.9791 175.7848 29 R 3.9898 8.3017 124.5956 57.1929 29.9203 178.6921 30 R 4.1604 8.1080 121.6923 56.4204 31.6532 177.1627 31 I 4.0282 8.2343 110.1309 62.0727 37.8398 176.9903 32 G 4.2711 7.5485 108.7106 45.7094 0.0000 173.5793 33 H 3.9754 8.2957 119.0493 57.7845 29.9962 171.3582 34 T 4.0647 8.1782 124.5063 62.6260 68.0524 171.6851 35 V 4.5020 7.8269 124.3105 59.7630 35.6708 173.7648 36 E 4.9266 8.6978 122.3369 54.0930 30.6563 174.4502 37 R 4.6185 8.5893 129.4141 57.0577 33.0408 173.8690 38 E 4.9846 8.6734 117.3579 55.2514 31.4867 175.8595 39 D 4.8412 8.4633 124.2376 54.3944 42.5967 177.1225 40 T 4.0137 7.9037 114.1269 62.5222 70.2074 172.8650 41 P 4.1893 0.0000 0.0000 65.9162 31.3254 178.9424 42 A 3.9350 7.8622 118.7598 55.3035 18.0993 179.3971 43 I 3.8589 7.7853 116.3722 63.8961 37.8560 177.6183 44 R 3.9357 8.3102 120.0783 58.7872 30.0368 178.5360 45 G 3.6042 8.2465 106.1094 47.8702 0.0000 175.4721 46 M 4.0746 8.5316 121.4925 58.3427 31.7513 178.6849 47 I 3.6115 7.0415 118.2378 64.4128 37.6175 177.2711 48 N 4.3426 7.9334 117.1283 57.0420 38.4784 176.0663 49 A 4.0636 7.6432 120.1221 55.0951 18.7613 180.7267 50 V 4.4804 7.5570 109.4985 60.8595 33.0456 178.9583 51 S 4.1407 8.1399 116.1082 61.8207 62.6181 175.3484 52 F 4.2396 8.7347 116.2750 59.1569 35.9692 175.3386 53 M 3.7097 5.8600 119.9580 56.5882 32.3921 176.9424 54 V 4.6780 7.7548 114.5183 61.4362 33.4548 175.7569 55 K 4.3917 8.3727 121.9470 54.3494 34.2943 175.3739 56 V 4.0006 8.3094 127.3390 63.3736 32.6851 175.8201 57 E 4.4636 8.8765 127.1181 55.2518 31.8953 175.0225 58 E 4.1379 8.6962 125.1952 56.5936 29.5198 177.3734 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 A 8.25 4.44 1.22 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 0.00 0.00 2 K 9.33 3.97 0.00 1.95 1.46 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 T 9.54 4.43 4.29 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 1.26 0.00 0.00 4 I 7.88 3.44 2.03 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 1.41 0.81 0.90 0.00 0.00 5 K 9.33 5.26 0.00 1.68 1.61 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.33 7.81 6 I 8.65 5.71 1.84 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 1.21 1.61 0.93 0.00 0.00 7 T 8.11 4.91 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 1.22 0.00 0.00 8 Q 8.73 3.70 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.00 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 9 T 7.09 3.50 4.40 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 1.18 0.00 0.00 10 R 7.21 4.65 0.00 1.68 1.81 0.00 3.21 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 11 S 8.50 4.11 0.00 3.82 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 12 A 8.19 4.71 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 13 I 7.64 4.00 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.92 0.00 0.00 14 G 7.78 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 0.00 0.00 0.00 0.00 15 R 7.85 4.40 0.00 1.88 2.03 0.00 3.37 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.02 0.00 16 L 8.22 4.12 0.00 1.44 1.52 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.35 0.00 2.17 2.11 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 18 K 7.99 4.30 0.00 1.76 1.90 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.41 7.81 19 H 8.37 4.76 0.00 3.51 3.38 0.00 5.84 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 20 K 8.18 3.39 0.00 1.82 1.91 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.58 1.79 7.81 21 A 7.54 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.96 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 1.35 0.00 0.00 23 L 8.77 3.92 0.00 1.85 1.87 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.02 4.15 0.00 1.91 1.95 0.92 1.05 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 25 G 7.79 3.37 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 0.00 26 L 7.69 4.46 0.00 1.76 1.68 0.89 0.88 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 27 G 8.65 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 28 L 7.54 4.21 0.00 1.68 1.79 0.88 0.86 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 29 R 8.30 3.99 0.00 1.55 1.65 0.00 3.11 0.00 0.00 3.17 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 30 R 8.11 4.16 0.00 1.89 1.87 0.00 3.13 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 31 I 8.23 4.03 1.85 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 1.34 0.92 0.90 0.00 0.00 32 G 7.55 4.27 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 0.00 0.00 0.00 33 H 8.30 3.98 0.00 3.26 3.30 0.00 6.06 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.18 4.06 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 1.23 0.00 0.00 35 V 7.83 4.50 1.92 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 0.76 0.00 0.00 0.88 0.00 0.00 36 E 8.70 4.93 0.00 1.95 1.85 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 2.18 2.38 0.00 37 R 8.59 4.62 0.00 1.81 1.47 0.00 3.30 0.00 0.00 3.22 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 38 E 8.67 4.98 0.00 1.94 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 2.20 2.30 0.00 39 D 8.46 4.84 0.00 2.57 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 40 T 7.90 4.01 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 41 P 0.00 4.19 0.00 2.15 2.13 0.00 3.59 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 2.12 2.18 0.00 42 A 7.86 3.93 1.31 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 0.00 0.00 43 I 7.79 3.86 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 1.52 1.19 1.02 0.00 0.00 44 R 8.31 3.94 0.00 2.00 2.04 0.00 3.20 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 45 G 8.25 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.53 4.07 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 47 I 7.04 3.61 2.01 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 1.62 0.73 0.90 0.00 0.00 48 N 7.93 4.34 0.00 2.77 3.06 0.00 0.00 7.18 9.01 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 49 A 7.64 4.06 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 50 V 7.56 4.48 1.83 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 0.79 0.00 0.00 0.96 0.00 0.00 51 S 8.14 4.14 0.00 4.10 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 0.00 52 F 8.73 4.24 0.00 3.22 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 53 M 5.86 3.71 0.00 1.78 1.45 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.98 0.00 54 V 7.75 4.68 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 0.65 0.00 0.00 0.91 0.00 0.00 55 K 8.37 4.39 0.00 1.75 1.62 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 56 V 8.31 4.00 2.07 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 0.87 0.00 0.00 0.92 0.00 0.00 57 E 8.88 4.46 0.00 2.06 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 2.20 2.42 0.00 58 E 8.70 4.14 0.00 1.97 1.86 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 2.31 2.37 0.00