NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4375 8.3044 120.3340 54.6788 33.7252 174.8412 2 K 3.8170 8.2525 121.0826 56.1913 32.6640 174.7003 3 K 4.8109 9.2329 126.7892 55.9214 35.2222 174.7885 4 Y 5.0381 8.8167 119.6556 56.0954 42.1210 174.7737 5 V 4.9347 8.8758 122.4847 59.8047 34.7023 174.3443 6 C 3.3706 8.9202 125.3999 59.0279 31.9567 173.9884 7 T 4.1835 8.5097 116.3440 62.5768 68.9310 175.8359 8 V 3.8687 7.5743 122.2711 65.1470 31.9300 176.1931 9 C 4.6274 8.0605 110.4913 57.3302 30.8810 174.6838 10 G 3.9248 8.3892 109.2682 45.0212 0.0000 173.1920 11 Y 4.3063 7.8204 121.2985 57.9379 40.1503 174.3433 12 E 5.0705 7.9439 124.6561 54.5647 31.8543 174.8311 13 Y 4.2778 9.3897 127.3532 57.2246 40.4208 173.4675 14 D 4.7413 7.7071 126.2160 51.7383 43.1049 174.4971 15 P 4.2919 0.0000 0.0000 64.7541 31.6558 178.8706 16 A 4.1752 7.9962 120.3148 54.3784 18.4138 178.0097 17 E 4.2901 8.0523 114.3732 55.7406 31.1718 178.2892 18 G 4.0848 8.1914 106.5219 45.7785 0.0000 174.4045 19 D 4.9472 8.7074 111.1421 52.5514 43.2589 174.4389 20 P 4.3316 0.0000 0.0000 65.4648 31.8393 178.5004 21 D 4.4996 8.2168 115.2177 56.3303 40.8647 176.5836 22 N 4.8696 8.3467 115.9690 52.8639 38.7914 175.0286 23 G 3.7890 8.3898 105.3064 46.2763 0.0000 174.3470 24 V 4.2298 7.6423 119.8912 60.1337 32.5583 175.1670 25 K 4.5002 8.3212 126.7999 55.4966 33.4637 174.8001 26 P 4.1741 0.0000 0.0000 64.6725 31.5848 177.0271 27 G 3.9681 9.1641 110.9348 45.3733 0.0000 173.5781 28 T 4.1668 7.6604 118.3906 62.6622 69.2384 174.8781 29 S 4.5819 8.4596 120.9730 57.7111 64.3579 174.8596 30 F 3.3774 8.9396 123.6405 61.2838 39.1398 177.1558 31 D 4.1678 7.4435 119.4433 56.5751 40.6641 176.6954 32 D 4.6538 7.4239 117.3896 53.7207 40.9401 176.6553 33 L 3.7653 6.7512 119.3601 53.3980 42.1866 175.4200 34 P 4.2283 0.0000 0.0000 62.6408 31.8660 177.5632 35 A 3.9010 8.5754 124.1770 54.8794 18.3972 178.1872 36 D 4.7391 7.8779 112.5849 52.7593 39.9681 176.4243 37 W 4.1747 7.9933 130.4560 57.6950 31.1711 175.3632 38 V 4.3326 6.8731 116.4189 58.7441 35.1959 174.9133 39 C 3.7001 8.5942 122.0525 59.1583 31.5484 172.9921 40 P 3.9696 0.0000 0.0000 64.7415 31.4933 177.5669 41 V 3.8000 7.2507 118.4317 64.5171 31.7628 175.9417 42 C 4.6314 7.8953 110.4210 56.9748 30.8899 174.7372 43 G 3.7897 8.3697 108.8084 44.9395 0.0000 173.7675 44 A 4.1984 7.5676 122.7729 51.1308 19.3534 175.4955 45 P 4.9068 0.0000 0.0000 62.0235 32.6509 177.7782 46 K 4.2531 8.7561 118.6727 59.5346 32.0987 179.5630 47 S 4.3814 8.2976 112.1336 60.5592 63.1515 174.3810 48 E 4.7435 8.6112 120.4377 56.3037 30.3820 175.3995 49 F 5.3199 8.6266 118.8321 56.2069 41.1039 175.0473 50 E 5.0015 9.1208 118.4144 54.0701 33.3063 174.8277 51 A 3.2541 8.5178 122.4692 51.8572 19.1780 177.4336 52 A 4.1762 8.2172 123.0872 52.0181 19.0441 175.9278 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 8.30 4.44 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 K 8.25 3.82 0.00 1.84 1.92 0.00 1.76 0.00 0.00 1.55 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 1.37 7.81 3 K 9.23 4.81 0.00 1.69 1.68 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.43 7.81 4 Y 8.82 5.04 0.00 2.55 2.56 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 0.00 5 V 8.88 4.93 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 0.71 0.00 0.00 0.99 0.00 0.00 6 C 8.92 3.37 0.00 2.21 2.81 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 0.00 0.00 0.00 7 T 8.51 4.18 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 1.21 0.00 0.00 8 V 7.57 3.87 2.04 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 0.83 0.00 0.00 0.94 0.00 0.00 9 C 8.06 4.63 0.00 3.09 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 10 G 8.39 3.92 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 11 Y 7.82 4.31 0.00 3.11 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 12 E 7.94 5.07 0.00 1.68 1.71 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 2.17 2.21 0.00 13 Y 9.39 4.28 0.00 3.55 3.16 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 0.00 0.00 0.00 0.00 14 D 7.71 4.74 0.00 2.63 2.28 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 15 P 0.00 4.29 0.00 2.23 2.34 0.00 3.88 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 16 A 8.00 4.18 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 17 E 8.05 4.29 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.19 0.00 18 G 8.19 4.08 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 0.00 0.00 0.00 19 D 8.71 4.95 0.00 3.23 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 20 P 0.00 4.33 0.00 2.26 2.15 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 21 D 8.22 4.50 0.00 2.71 2.76 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 22 N 8.35 4.87 0.00 3.11 2.94 0.00 0.00 6.99 7.25 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 23 G 8.39 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 24 V 7.64 4.23 2.41 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 1.15 0.00 0.00 0.94 0.00 0.00 25 K 8.32 4.50 0.00 1.99 1.94 0.00 1.58 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.47 7.81 26 P 0.00 4.17 0.00 2.07 2.23 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 27 G 9.16 3.97 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 0.00 0.00 0.00 28 T 7.66 4.17 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 1.11 0.00 0.00 29 S 8.46 4.58 0.00 4.06 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 30 F 8.94 3.38 0.00 2.96 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.44 4.17 0.00 2.69 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 32 D 7.42 4.65 0.00 2.67 2.56 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 0.00 33 L 6.75 3.77 0.00 0.74 0.71 -1.53 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.23 0.00 2.21 1.97 0.00 3.41 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 35 A 8.58 3.90 1.25 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 0.00 0.00 0.00 36 D 7.88 4.74 0.00 2.78 2.77 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 37 W 7.99 4.17 0.00 3.15 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 38 V 6.87 4.33 2.09 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 0.75 0.00 0.00 0.65 0.00 0.00 39 C 8.59 3.70 0.00 3.24 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 40 P 0.00 3.97 0.00 2.02 1.94 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.87 0.00 41 V 7.25 3.80 2.01 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 0.85 0.00 0.00 0.91 0.00 0.00 42 C 7.90 4.63 0.00 3.03 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 44 A 7.57 4.20 1.32 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 0.00 0.00 45 P 0.00 4.91 0.00 2.33 2.25 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.04 0.00 46 K 8.76 4.25 0.00 1.84 1.84 0.00 0.91 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.73 7.81 47 S 8.30 4.38 0.00 4.06 4.08 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 48 E 8.61 4.74 0.00 2.19 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 0.00 2.31 2.36 0.00 49 F 8.63 5.32 0.00 3.19 3.06 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 50 E 9.12 5.00 0.00 1.98 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 0.00 2.16 2.19 0.00 51 A 8.52 3.25 0.83 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 0.00 0.00 52 A 8.22 4.18 1.09 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 0.00 0.00