NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3824 8.3301 116.7908 58.6421 64.9490 174.8285 2 A 4.0475 7.8781 121.5086 53.7058 19.1989 175.8451 3 D 4.7696 7.5884 116.5089 52.9708 41.9271 175.0469 4 Q 4.6714 7.3899 118.0874 55.1270 30.0765 171.3519 5 P 4.1162 0.0000 0.0000 63.3665 30.5735 175.2769 6 K 4.2267 8.4051 121.7793 56.1321 35.1533 175.4578 7 E 3.6257 8.6578 117.3375 56.1213 27.7302 174.5496 8 E 4.6642 7.4873 118.1137 56.5465 31.0920 173.7428 9 K 5.1593 8.6333 126.6339 55.1171 34.0113 175.5570 10 K 4.3564 9.6022 125.3386 55.6637 35.9359 173.3659 11 E 4.5617 7.9580 118.9220 55.8810 30.5356 176.1980 12 C 4.9509 8.9807 125.4529 56.8871 43.0352 172.9943 13 Y 4.3898 8.5377 119.4503 56.9830 40.3599 175.8668 14 Y 4.2504 8.7446 123.2985 60.9121 40.0652 178.0209 15 N 4.8534 7.8437 114.0309 53.2608 37.7886 177.2196 16 L 4.5228 6.7681 134.6953 57.1044 44.9596 172.2005 17 N 4.3658 9.0861 113.2605 52.9711 45.1036 174.9967 18 D 4.3875 8.6749 113.7897 53.9592 40.2907 173.1254 19 A 4.2791 7.9899 116.2104 50.4784 15.8466 177.5466 20 S 5.2547 6.9575 124.3908 58.4091 63.8613 178.4770 21 L 4.3434 8.1625 119.7252 54.1195 41.6329 172.7175 22 C 3.9579 8.2840 112.7693 56.1573 39.6726 172.8129 23 D 4.8426 8.7447 124.4306 52.3095 40.5599 174.5435 24 N 3.5933 8.4659 121.6007 51.9968 36.9064 174.9919 25 V 3.1475 5.4500 115.8990 61.8332 30.2242 168.5024 26 L 3.6254 9.3713 122.2745 53.8483 39.5419 171.3747 27 A 4.6637 7.4049 118.4118 49.8939 22.2231 174.3687 28 P 4.5297 0.0000 0.0000 62.6063 33.5315 175.1772 29 N 5.2458 8.5929 118.4559 53.1924 39.2899 174.7206 30 V 4.6311 9.0394 118.7714 60.9534 36.4796 173.0210 31 T 4.7004 8.8056 111.8159 61.5941 69.9983 176.0404 32 K 2.6378 5.6600 126.1363 59.3727 32.6755 178.3175 33 Q 3.9439 7.4148 120.0844 58.0434 28.3914 178.6406 34 E 3.9704 8.7929 119.3345 59.6567 30.0463 177.7852 35 C 4.2338 8.2350 117.7242 60.3887 41.8354 176.1908 36 C 4.3145 8.4386 117.4119 60.3539 35.1012 175.3849 37 C 4.0113 8.0575 119.2210 59.9959 40.3437 175.6387 38 T 3.8482 8.0403 116.9239 64.4678 68.9804 174.0466 39 S 4.6253 9.5360 114.8721 58.7015 61.5131 167.8153 40 G 4.4090 7.2224 118.2931 45.2307 0.0000 173.6393 41 A 4.7010 8.1463 123.7381 52.7405 25.5716 175.6643 42 G 4.9222 8.3193 99.8661 45.3236 0.0000 172.7709 43 W 5.2514 8.5256 131.5944 55.7953 34.2671 174.4044 44 G 3.7476 7.2504 113.9263 46.0366 0.0000 171.7653 45 D 4.0001 7.1497 118.9390 52.2610 38.6735 174.9713 46 N 4.2657 8.8706 116.5819 56.8740 36.7248 174.1225 47 C 4.0469 8.4645 127.2643 56.4403 40.1690 173.4763 48 E 4.6573 7.2828 118.6367 55.2407 27.8177 175.3323 49 I 3.9367 6.9154 119.4718 59.3281 40.6571 176.9230 50 F 4.8970 7.6242 122.7924 55.0511 41.3909 171.6977 51 P 5.0571 0.0000 0.0000 63.0991 31.1942 174.2340 52 C 5.2335 10.1558 119.0479 52.4759 45.5141 172.6817 53 P 5.1432 0.0000 0.0000 61.7729 33.4508 174.6988 54 V 4.2068 8.1273 114.6027 61.4487 33.0762 172.6444 55 L 2.8642 8.0306 126.9176 56.2657 42.9132 174.0758 56 G 4.0422 8.6609 112.7750 46.1232 0.0000 171.9506 57 T 4.5756 7.4634 107.4829 58.7087 71.9531 173.8106 58 A 3.9428 8.4893 123.8909 54.5280 18.5064 179.0330 59 E 3.2844 8.7065 110.7638 60.2110 29.6466 178.9923 60 F 3.8800 8.9511 118.2057 61.7740 40.0702 176.8565 61 T 3.8741 8.4574 109.2531 64.8135 68.3257 175.8519 62 E 3.8805 8.5691 121.8700 59.3300 29.8290 178.7342 63 M 4.2396 7.6362 115.5344 56.6207 32.0543 176.1187 64 C 4.5966 7.6569 119.9954 54.4398 44.1868 171.2978 65 P 4.0154 0.0000 0.0000 63.6389 31.1496 177.6566 66 K 3.9427 6.8863 120.3902 55.4019 32.7899 176.0745 67 G 4.0596 6.7279 108.2779 44.7573 0.0000 172.3443 68 K 4.7211 8.2998 121.6347 57.4368 32.6785 177.4068 69 G 4.7683 8.9745 118.8699 47.6380 0.0000 173.4208 70 F 4.6762 8.3124 121.5985 59.9807 40.7042 176.3391 71 V 4.0378 7.6570 111.6804 59.4147 32.4620 173.8014 72 P 4.2998 0.0000 0.0000 63.9038 31.0728 174.0529 73 A 3.7583 8.1864 124.2296 52.8728 17.4709 179.1943 74 G 4.2384 8.0982 99.1629 44.4854 0.0000 173.4591 75 E 4.2167 7.7197 122.3615 56.4818 29.4539 176.7337 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 S 8.33 4.38 0.00 3.87 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 2 A 7.88 4.05 1.30 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 0.00 0.00 0.00 3 D 7.59 4.77 0.00 2.63 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 4 Q 7.39 4.67 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.13 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 5 P 0.00 4.12 0.00 2.10 1.87 0.00 3.61 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 6 K 8.41 4.23 0.00 1.58 1.58 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.43 7.81 7 E 8.66 3.63 0.00 2.20 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 0.00 2.21 2.30 0.00 8 E 7.49 4.66 0.00 2.19 2.08 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 2.38 2.36 0.00 9 K 8.63 5.16 0.00 1.91 1.81 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.48 7.81 10 K 9.60 4.36 0.00 0.79 0.74 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.87 1.17 7.81 11 E 7.96 4.56 0.00 2.10 1.80 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 2.20 2.18 0.00 12 C 8.98 4.95 0.00 3.11 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 13 Y 8.54 4.39 0.00 3.04 2.79 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 14 Y 8.74 4.25 0.00 3.01 3.01 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 0.00 15 N 7.84 4.85 0.00 3.16 2.28 0.00 0.00 6.88 7.77 0.00 0.00 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 L 6.77 4.52 0.00 1.61 1.53 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.09 4.37 0.00 2.54 2.29 0.00 0.00 6.46 8.04 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 18 D 8.67 4.39 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 19 A 7.99 4.28 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 20 S 6.96 5.25 0.00 3.97 3.95 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 0.00 0.00 0.00 0.00 21 L 8.16 4.34 0.00 1.72 1.79 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.28 3.96 0.00 3.28 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 23 D 8.74 4.84 0.00 2.76 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 24 N 8.47 3.59 0.00 2.25 1.42 0.00 0.00 5.40 7.60 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 25 V 5.45 3.15 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 0.64 0.00 0.00 0.92 0.00 0.00 26 L 9.37 3.63 0.00 1.75 1.89 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.40 4.66 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.19 2.24 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 29 N 8.59 5.25 0.00 2.64 2.92 0.00 0.00 6.72 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 30 V 9.04 4.63 2.19 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 0.80 0.00 0.00 1.11 0.00 0.00 31 T 8.81 4.70 4.06 0.00 0.00 0.00 0.00 0.00 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 32 K 5.66 2.64 0.00 1.47 0.74 0.00 1.18 0.00 0.00 1.31 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.30 0.99 7.81 33 Q 7.41 3.94 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.86 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 34 E 8.79 3.97 0.00 1.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 35 C 8.24 4.23 0.00 3.18 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 36 C 8.44 4.31 0.00 3.05 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 37 C 8.06 4.01 0.00 3.05 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 38 T 8.04 3.85 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 39 S 9.54 4.63 0.00 3.98 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 0.00 40 G 7.22 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.70 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.92 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 0.00 0.00 0.00 43 W 8.53 5.25 0.00 3.42 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 44 G 7.25 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.15 4.00 0.00 2.69 2.66 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 46 N 8.87 4.27 0.00 2.83 3.07 0.00 0.00 7.67 7.69 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 47 C 8.46 4.05 0.00 3.08 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 48 E 7.28 4.66 0.00 2.01 1.74 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 2.23 2.41 0.00 49 I 6.92 3.94 1.34 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 0.35 -0.36 0.74 0.00 0.00 50 F 7.62 4.90 0.00 3.11 2.95 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 0.00 0.00 0.00 0.00 51 P 0.00 5.06 0.00 2.00 2.13 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 52 C 10.16 5.23 0.00 2.97 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 53 P 0.00 5.14 0.00 2.41 2.53 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.42 0.00 54 V 8.13 4.21 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 0.93 0.00 0.00 1.01 0.00 0.00 55 L 8.03 2.86 0.00 1.63 1.48 0.28 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.66 4.04 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 0.00 0.00 0.00 57 T 7.46 4.58 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 1.23 0.00 0.00 58 A 8.49 3.94 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 59 E 8.71 3.28 0.00 2.07 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 2.48 2.44 0.00 60 F 8.95 3.88 0.00 3.31 3.03 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 0.00 61 T 8.46 3.87 4.22 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 1.34 0.00 0.00 62 E 8.57 3.88 0.00 1.85 1.93 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 2.37 2.34 0.00 63 M 7.64 4.24 0.00 2.04 2.39 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.43 0.00 64 C 7.66 4.60 0.00 2.07 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 65 P 0.00 4.02 0.00 2.08 2.01 0.00 3.51 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 66 K 6.89 3.94 0.00 1.03 1.19 0.00 1.56 0.00 0.00 1.42 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.07 1.34 7.81 67 G 6.73 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.30 4.72 0.00 1.62 1.76 0.00 1.56 0.00 0.00 0.61 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.29 7.81 69 G 8.97 4.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.31 4.68 0.00 2.91 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.66 4.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.06 0.00 0.00 72 P 0.00 4.30 0.00 2.21 2.08 0.00 3.87 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 73 A 8.19 3.76 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.10 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 0.00 0.00 0.00 75 E 7.72 4.22 0.00 2.15 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 0.00 2.32 2.33 0.00