NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3871 8.3001 120.3277 55.3750 33.6352 174.2471 2 A 4.4006 8.5634 120.8747 51.4700 20.8867 175.4469 3 K 5.2282 9.1322 118.9788 54.4102 36.4988 173.7772 4 W 5.1336 9.5409 123.7808 54.8571 32.8360 174.2029 5 R 5.1987 9.1411 125.1883 54.4357 32.6247 174.2069 6 C 3.6666 8.8389 127.4582 58.7710 31.7788 174.6594 7 K 3.9953 8.7917 127.0809 59.1991 32.1615 178.9496 8 I 3.8835 7.7881 119.3332 63.9104 37.0684 176.4406 9 C 4.6671 7.6803 109.7209 56.9311 30.5319 174.7128 10 G 3.9001 8.5071 108.6972 45.5995 0.0000 173.3245 11 Y 4.1996 7.8248 121.6560 57.9994 40.0129 174.6826 12 I 4.8644 7.5814 126.8543 59.7097 39.1880 174.4544 13 Y 4.4168 9.6173 130.2411 57.0663 40.0574 173.5731 14 D 4.7307 7.9814 127.4298 52.4818 42.4570 176.3222 15 E 3.9792 8.8824 127.1707 59.7521 30.0131 179.7236 16 D 4.3192 8.2647 118.2420 56.6560 41.0728 177.1785 17 E 4.2011 7.9737 117.6679 55.7832 30.7800 178.1650 18 G 3.9701 7.8147 106.6549 45.6290 0.0000 173.6274 19 D 4.9903 8.3874 111.6988 52.5045 41.8370 175.2429 20 P 4.4917 0.0000 0.0000 65.3394 32.2073 179.2843 21 D 4.4499 8.2799 118.1421 56.6503 40.8513 176.5371 22 N 4.8470 8.3205 114.9750 52.9999 38.9018 175.5286 23 G 3.8835 8.2929 105.2724 45.7013 0.0000 173.9135 24 I 4.2982 7.7878 121.5991 59.1788 38.2345 175.6797 25 S 4.4567 8.4716 122.2011 57.5447 63.3880 172.2373 26 P 4.4629 0.0000 0.0000 64.5241 31.3793 176.7719 27 G 4.0127 8.9580 111.5618 45.3622 0.0000 173.7877 28 T 4.0368 7.4309 116.9949 62.9393 68.8737 174.8239 29 K 4.3970 8.4902 126.1930 56.0295 33.2146 177.5582 30 F 3.2736 9.4399 125.2259 61.3713 38.8229 177.7275 31 E 3.8044 7.9738 114.6514 58.5332 29.4281 177.5051 32 D 4.5353 7.5318 118.0772 53.0436 41.7005 176.6376 33 L 3.7223 6.4796 120.3168 53.5420 42.3386 175.4039 34 P 4.2788 0.0000 0.0000 62.7219 32.0145 176.9811 35 D 4.3401 8.8206 121.5892 57.7865 40.7167 177.8222 36 D 4.6295 7.9019 114.4892 52.9839 39.8365 175.8891 37 W 4.1413 7.8979 130.9945 57.4071 31.1689 175.5653 38 V 4.2460 6.7729 117.2056 58.6498 35.1958 174.7072 39 C 3.5802 8.6052 121.5742 59.4343 31.4366 173.2670 40 P 3.9958 0.0000 0.0000 64.8284 31.3638 177.5138 41 L 4.1675 7.6006 119.3375 56.9474 42.3303 176.8168 42 C 4.4976 7.9468 109.3101 57.3068 30.9355 174.6031 43 G 3.7486 8.1980 108.3162 45.3099 0.0000 173.5954 44 A 4.1324 7.5772 123.1524 50.8969 19.2174 176.1455 45 P 4.8511 0.0000 0.0000 62.0852 32.6348 177.5936 46 K 4.3333 8.7282 117.7584 59.4968 32.0129 179.6773 47 S 4.4141 8.2717 112.2051 60.7010 63.1412 174.4892 48 E 4.5589 8.8102 120.6879 56.3762 29.2945 175.0733 49 F 5.5333 8.3228 117.8627 55.9120 41.1528 175.1070 50 E 4.9161 9.0305 119.1648 54.3183 33.2053 174.7490 51 R 3.5065 7.9690 122.4206 55.9704 30.1408 176.0327 52 I 4.2475 8.1119 118.5994 60.7562 39.2631 175.2162 53 E 4.1169 7.5796 126.4780 56.7473 29.2719 174.2258 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 4.39 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 2 A 8.56 4.40 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 3 K 9.13 5.23 0.00 1.61 1.66 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.39 7.81 4 W 9.54 5.13 0.00 3.26 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.14 5.20 0.00 1.86 1.75 0.00 3.07 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 6 C 8.84 3.67 0.00 2.28 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.79 4.00 0.00 1.80 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.56 7.81 8 I 7.79 3.88 1.83 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 1.44 0.73 0.90 0.00 0.00 9 C 7.68 4.67 0.00 3.04 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 8.51 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.20 0.00 3.22 2.98 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 12 I 7.58 4.86 1.71 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.88 0.00 0.00 13 Y 9.62 4.42 0.00 3.62 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 14 D 7.98 4.73 0.00 2.62 2.34 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 15 E 8.88 3.98 0.00 2.10 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 2.81 2.71 0.00 16 D 8.26 4.32 0.00 2.79 2.71 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 0.00 0.00 0.00 17 E 7.97 4.20 0.00 1.97 1.97 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 2.23 2.34 0.00 18 G 7.81 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 19 D 8.39 4.99 0.00 3.26 2.82 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 20 P 0.00 4.49 0.00 2.30 2.34 0.00 3.85 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 2.13 2.03 0.00 21 D 8.28 4.45 0.00 2.77 2.83 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 22 N 8.32 4.85 0.00 3.05 2.90 0.00 0.00 6.99 7.65 0.00 0.00 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 8.29 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 4.30 2.09 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 0.86 0.00 0.00 25 S 8.47 4.46 0.00 3.89 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 26 P 0.00 4.46 0.00 2.04 2.13 0.00 3.65 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 2.04 2.24 0.00 27 G 8.96 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 0.00 0.00 0.00 0.00 28 T 7.43 4.04 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 1.07 0.00 0.00 29 K 8.49 4.40 0.00 1.97 1.76 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.45 7.81 30 F 9.44 3.27 0.00 2.18 1.99 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 31 E 7.97 3.80 0.00 2.09 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 0.00 2.21 2.35 0.00 32 D 7.53 4.54 0.00 2.63 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 33 L 6.48 3.72 0.00 0.82 0.82 -1.57 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.28 0.00 2.32 1.95 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 35 D 8.82 4.34 0.00 2.60 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 36 D 7.90 4.63 0.00 2.76 2.75 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 37 W 7.90 4.14 0.00 3.13 2.98 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 38 V 6.77 4.25 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 0.66 0.00 0.00 0.63 0.00 0.00 39 C 8.61 3.58 0.00 3.16 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 4.00 0.00 1.86 1.92 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.82 0.00 41 L 7.60 4.17 0.00 1.58 1.66 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.95 4.50 0.00 3.06 2.98 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 43 G 8.20 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 44 A 7.58 4.13 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 45 P 0.00 4.85 0.00 2.31 2.25 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 46 K 8.73 4.33 0.00 1.85 1.90 0.00 1.38 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.65 7.81 47 S 8.27 4.41 0.00 4.08 4.10 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 48 E 8.81 4.56 0.00 2.12 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 0.00 2.39 2.47 0.00 49 F 8.32 5.53 0.00 3.20 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 50 E 9.03 4.92 0.00 1.97 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 0.00 2.18 2.16 0.00 51 R 7.97 3.51 0.00 0.67 1.19 0.00 2.78 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.52 0.00 52 I 8.11 4.25 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 0.83 0.00 0.00 53 E 7.58 4.12 0.00 1.83 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 2.15 2.24 0.00