NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.1683 8.4449 117.8182 55.5327 29.8822 175.8321 3 Y 4.6980 8.5837 125.1276 55.8114 41.4622 171.3655 4 E 4.1409 9.5891 121.8568 56.8382 30.9465 176.2908 5 E 4.6082 8.7319 120.7184 55.1236 33.0969 176.1341 6 G 3.8613 8.6384 106.3025 43.7842 0.0000 170.7609 7 P 4.2287 0.0000 0.0000 64.3572 31.2801 176.9451 8 G 3.8582 8.9329 110.3476 45.8197 0.0000 173.7194 9 K 4.4215 8.0370 118.1765 55.8788 34.2358 176.5385 10 N 4.7764 8.0760 115.2349 52.1760 37.4821 174.3902 11 I 4.2998 7.0125 111.9678 58.7164 39.8226 174.0805 12 P 4.4909 0.0000 0.0000 63.3201 31.1692 175.3822 13 F 4.9512 6.7582 113.0595 55.2224 40.9989 173.7277 14 S 4.6071 8.5951 115.4243 57.2606 63.3056 173.9935 15 V 4.4669 8.0293 118.9743 61.1530 32.3169 176.3873 16 E 3.9700 8.1888 123.1030 58.4307 29.6763 177.1550 17 N 4.9264 7.8752 117.5209 51.1547 41.4111 174.8710 18 K 3.6502 8.4238 128.1432 59.6014 32.5058 179.1154 19 W 4.4135 7.7482 119.7510 59.4170 29.1658 178.3578 20 R 3.9447 8.6430 118.8737 59.3509 29.4945 178.0705 21 L 3.9218 8.5887 120.6239 58.2407 42.0180 178.7435 22 L 3.9351 7.9249 119.7904 58.1042 42.0026 178.7899 23 A 4.0526 8.2670 120.7206 55.3692 18.3535 179.3604 24 M 3.9598 8.3001 117.4297 58.9665 32.1010 178.9061 25 M 3.9038 8.2189 118.8612 58.7655 32.0612 179.0119 26 T 4.0075 8.5304 116.1346 66.5449 68.5397 176.8270 27 L 3.9855 8.2001 120.9572 58.0536 41.5425 178.6651 28 F 3.9630 8.6586 120.6928 62.0011 39.2889 177.2342 29 F 4.5040 8.6272 117.0487 60.3914 38.8864 178.1246 30 G 3.8237 8.5988 106.1979 47.6184 0.0000 175.8655 31 S 4.1943 8.5968 117.1804 61.4288 62.8612 176.9581 32 G 3.6339 7.4885 108.5403 47.0145 0.0000 175.0681 33 F 4.4818 8.1350 121.6457 61.0577 39.6646 176.8218 34 A 4.4278 8.3543 119.4608 53.8602 18.2841 179.0007 35 A 4.0205 7.7761 119.9891 55.1214 18.3376 177.7291 36 P 4.0695 0.0000 0.0000 66.0073 31.4877 178.6593 37 F 3.9296 7.9413 115.6398 60.5936 38.6155 177.4184 38 F 4.1751 8.1584 116.9102 59.8794 39.0451 178.2137 39 I 3.5359 8.1175 119.7703 64.0713 36.7891 178.6826 40 V 3.4840 7.9829 119.3689 66.0387 31.5389 177.8509 41 R 3.8246 7.6990 117.9623 59.7335 29.9403 177.7235 42 H 4.1291 8.9288 118.6381 59.6566 29.7211 177.3787 43 Q 4.0405 8.2614 118.3370 58.5189 28.5291 178.2152 44 L 4.2323 7.7986 118.9990 56.3706 41.9728 178.0741 45 L 4.3780 7.4175 116.5676 55.2208 42.0026 178.0475 46 K 4.1929 7.4209 117.7700 56.6090 32.4902 176.5042 47 K 3.9392 7.8044 123.5013 57.2564 32.5803 173.7113 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 2 H 8.44 4.17 0.00 3.07 2.48 0.00 5.80 0.00 0.00 0.00 0.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.58 4.70 0.00 3.03 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 4 E 9.59 4.14 0.00 1.98 1.89 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 2.34 2.29 0.00 5 E 8.73 4.61 0.00 1.91 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 2.22 2.46 0.00 6 G 8.64 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 7 P 0.00 4.23 0.00 2.02 2.03 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 8 G 8.93 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 9 K 8.04 4.42 0.00 1.80 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.59 7.81 10 N 8.08 4.78 0.00 2.77 2.85 0.00 0.00 5.84 7.81 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 11 I 7.01 4.30 0.56 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.49 0.63 0.00 0.00 12 P 0.00 4.49 0.00 2.21 2.15 0.00 3.52 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.98 0.00 13 F 6.76 4.95 0.00 3.01 2.91 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 14 S 8.60 4.61 0.00 3.85 3.82 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 0.00 0.00 0.00 15 V 8.03 4.47 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 0.86 0.00 0.00 0.85 0.00 0.00 16 E 8.19 3.97 0.00 1.93 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 2.33 2.30 0.00 17 N 7.88 4.93 0.00 2.79 2.67 0.00 0.00 6.92 6.75 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 18 K 8.42 3.65 0.00 1.50 1.73 0.00 0.99 0.00 0.00 1.07 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.85 0.21 7.81 19 W 7.75 4.41 0.00 3.67 3.30 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 20 R 8.64 3.94 0.00 2.07 2.07 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.59 3.92 0.00 1.79 1.70 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.92 3.94 0.00 1.96 2.01 0.98 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.27 4.05 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 24 M 8.30 3.96 0.00 1.87 2.18 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.95 0.00 25 M 8.22 3.90 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.35 0.00 26 T 8.53 4.01 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 L 8.20 3.99 0.00 1.89 1.73 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.66 3.96 0.00 2.89 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 29 F 8.63 4.50 0.00 3.35 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.60 4.19 0.00 3.98 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 32 G 7.49 3.63 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 0.00 0.00 0.00 33 F 8.14 4.48 0.00 3.22 3.39 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 34 A 8.35 4.43 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.78 4.02 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 36 P 0.00 4.07 0.00 1.62 1.83 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.08 0.00 37 F 7.94 3.93 0.00 3.27 2.85 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 38 F 8.16 4.18 0.00 3.23 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 3.54 1.87 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 1.42 0.83 0.93 0.00 0.00 40 V 7.98 3.48 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 0.94 0.00 0.00 0.83 0.00 0.00 41 R 7.70 3.82 0.00 1.77 2.04 0.00 3.02 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 42 H 8.93 4.13 0.00 3.34 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.26 4.04 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 44 L 7.80 4.23 0.00 1.75 1.70 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.42 4.38 0.00 1.82 1.70 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.42 4.19 0.00 1.76 1.81 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.45 7.81 47 K 7.80 3.94 0.00 1.75 1.67 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.17 1.16 7.81