NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.2820 8.1744 117.3735 63.1228 69.8968 173.1694 4 Q 4.0525 8.5511 127.6995 55.4814 29.7386 174.6827 5 L 4.3710 9.0241 125.6396 53.9917 45.0413 177.1160 6 M 4.1791 8.0671 121.9930 58.2810 31.9575 178.9027 7 G 3.7611 7.9360 106.4043 47.3766 0.0000 175.3622 8 E 4.0119 8.1273 120.4606 59.1965 29.5192 179.5092 9 R 3.9955 7.7492 118.0976 59.0834 29.9763 179.1320 10 I 3.7246 7.9382 119.6847 64.4301 37.1312 178.3846 11 R 4.1282 8.4997 120.6610 58.9024 29.9231 178.2816 12 A 4.0025 8.1519 120.5211 55.2102 18.4167 179.6267 13 R 3.8556 8.1268 117.1937 59.4876 29.9513 178.6260 14 R 3.9233 8.2899 118.7501 59.5432 30.0881 178.6248 15 K 4.0661 8.3151 118.3590 59.3087 31.7876 179.1156 16 K 3.9321 7.8911 119.0909 59.5072 32.1919 178.2910 17 L 4.1589 7.6434 116.5755 54.5518 42.1180 176.7411 18 K 3.8843 7.7647 117.1169 57.6929 29.9092 175.1883 19 I 4.5742 7.1777 108.9558 58.5583 40.4911 175.9308 20 R 4.3094 8.1197 118.7800 55.6413 31.8813 177.6260 21 Q 3.9600 8.4720 117.5491 59.0442 28.6954 178.7961 22 A 4.0315 7.9995 121.1085 55.0453 18.5280 179.4353 23 A 3.9288 7.8758 118.8265 55.1477 18.6109 179.4307 24 L 4.0294 8.0591 119.0806 58.2062 42.1419 179.2075 25 G 3.7448 8.4900 107.4128 47.0791 0.0000 175.3845 26 K 3.9525 7.9308 120.8461 59.6251 32.2916 178.5191 27 M 4.2020 7.7968 117.3842 58.0503 31.8941 178.2684 28 V 4.0655 7.6069 117.3687 63.2257 32.0005 176.7082 29 G 4.0626 8.9367 106.4987 45.4488 0.0000 172.9490 30 V 4.5254 7.4999 111.4015 58.0530 35.7053 175.2892 31 S 4.2642 8.1129 116.0650 58.0024 64.9460 174.8222 32 N 4.2264 8.5412 120.5534 56.1483 36.8678 177.4632 33 V 3.4298 7.6238 119.8312 65.5664 31.6703 177.4946 34 A 3.9611 7.5550 121.8528 54.4129 18.0036 179.5736 35 I 3.1511 6.8565 117.7434 64.3921 37.1909 178.3745 36 S 4.0386 7.9313 113.8495 61.6483 62.0090 176.2422 37 Q 4.0019 8.2682 120.8345 58.7925 28.4676 179.0239 38 W 4.7259 7.8978 121.1524 59.5488 28.7217 178.4724 39 E 4.3034 8.7096 118.8548 59.1580 28.6573 178.6560 40 R 4.4656 7.9670 115.1785 55.2572 30.3301 176.5152 41 S 3.8624 7.9840 113.4384 59.4609 61.1411 173.2607 42 E 4.0960 8.3878 123.7316 58.9824 29.4317 176.3847 43 T 4.8303 7.6903 106.5328 60.2734 72.1892 171.7523 44 E 4.5971 8.3618 120.2624 53.2952 32.4326 174.6382 45 P 3.9434 0.0000 0.0000 62.2676 31.8436 176.8800 46 N 4.7296 8.4649 118.8350 52.1907 39.8272 176.0226 47 G 3.5132 8.4403 105.8377 48.1773 0.0000 175.2121 48 E 3.9507 8.1518 122.0906 59.0094 29.6503 178.5574 49 N 4.4683 9.0877 116.8223 55.9740 38.5188 177.2682 50 L 3.6744 8.0586 122.2314 58.0075 42.2789 179.1158 51 L 3.9451 7.7599 118.3493 57.6566 41.5936 179.2711 52 A 4.0273 8.0241 120.8277 54.9991 18.2977 179.4758 53 L 4.0019 8.3846 119.5382 58.3271 42.1291 179.2722 54 S 4.1650 8.3596 114.5989 61.5331 62.7352 176.7368 55 K 3.9666 8.0981 121.5141 59.1125 31.5978 179.2220 56 A 4.0738 7.9842 120.0893 54.6458 18.4087 178.7268 57 L 4.3210 7.9652 114.5108 53.8032 42.6376 176.4510 58 Q 3.5067 7.8595 116.9696 56.6401 26.5617 172.1234 59 C 4.7731 8.2629 110.9652 55.7928 33.6383 173.9198 60 S 4.5822 8.3235 114.1759 57.1677 65.0963 173.2391 61 P 4.2588 0.0000 0.0000 65.8266 31.0297 178.7115 62 D 4.3263 8.1055 117.3328 57.4265 40.6887 177.9731 63 Y 4.0502 8.1786 119.9050 60.7016 38.3183 178.0739 64 L 3.6767 7.7175 119.2190 57.8343 41.5386 179.6967 65 L 3.9380 7.9063 117.5523 57.0740 41.7117 178.2701 66 K 4.3651 7.9383 114.7072 54.6225 34.7324 178.1399 67 G 3.4766 7.7312 107.1933 45.2970 0.0000 173.5157 68 D 4.5933 8.7316 119.7370 54.5430 41.1167 176.2159 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 3 T 8.17 4.28 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 1.20 0.00 0.00 4 Q 8.55 4.05 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 5 L 9.02 4.37 0.00 1.72 1.54 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.07 4.18 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.40 0.00 7 G 7.94 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 0.00 0.00 0.00 8 E 8.13 4.01 0.00 2.17 2.02 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 2.41 2.40 0.00 9 R 7.75 4.00 0.00 1.84 1.84 0.00 2.21 0.00 0.00 2.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 10 I 7.94 3.72 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 1.07 0.00 0.00 11 R 8.50 4.13 0.00 1.91 1.96 0.00 3.17 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 12 A 8.15 4.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.86 0.00 2.26 2.12 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 14 R 8.29 3.92 0.00 2.03 2.10 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 15 K 8.32 4.07 0.00 1.94 1.86 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.74 1.61 7.81 16 K 7.89 3.93 0.00 2.01 1.91 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 17 L 7.64 4.16 0.00 1.88 1.72 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.76 3.88 0.00 1.91 1.90 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.54 7.81 19 I 7.18 4.57 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.95 0.00 0.00 20 R 8.12 4.31 0.00 2.05 2.11 0.00 2.96 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 21 Q 8.47 3.96 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 22 A 8.00 4.03 1.29 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 0.00 0.00 23 A 7.88 3.93 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 24 L 8.06 4.03 0.00 1.82 1.84 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.49 3.74 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 0.00 0.00 0.00 26 K 7.93 3.95 0.00 1.83 2.05 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 27 M 7.80 4.20 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.56 0.00 28 V 7.61 4.07 2.21 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 1.10 0.00 0.00 1.12 0.00 0.00 29 G 8.94 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 30 V 7.50 4.53 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 1.12 0.00 0.00 0.70 0.00 0.00 31 S 8.11 4.26 0.00 3.97 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 32 N 8.54 4.23 0.00 2.87 3.07 0.00 0.00 5.58 7.68 0.00 0.00 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 V 7.62 3.43 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 0.95 0.00 0.00 0.87 0.00 0.00 34 A 7.56 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 6.86 3.15 1.87 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.91 0.00 0.00 36 S 7.93 4.04 0.00 4.01 3.96 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 37 Q 8.27 4.00 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 38 W 7.90 4.73 0.00 3.55 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 39 E 8.71 4.30 0.00 2.15 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 2.42 2.64 0.00 40 R 7.97 4.47 0.00 1.81 1.97 0.00 3.32 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 41 S 7.98 3.86 0.00 4.05 3.96 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 42 E 8.39 4.10 0.00 1.97 2.15 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 2.35 2.27 0.00 43 T 7.69 4.83 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 1.28 0.00 0.00 44 E 8.36 4.60 0.00 1.87 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 2.14 2.23 0.00 45 P 0.00 3.94 0.00 1.55 0.49 0.00 3.31 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.00 46 N 8.46 4.73 0.00 3.02 3.06 0.00 0.00 6.07 6.93 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 47 G 8.44 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 3.95 0.00 2.05 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 2.41 2.42 0.00 49 N 9.09 4.47 0.00 2.81 2.99 0.00 0.00 6.69 6.77 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 50 L 8.06 3.67 0.00 1.60 1.73 0.74 0.68 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 51 L 7.76 3.95 0.00 1.67 1.69 0.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.02 4.03 1.37 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 53 L 8.38 4.00 0.00 1.86 1.83 1.16 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.36 4.17 0.00 4.29 4.19 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 0.00 0.00 0.00 0.00 55 K 8.10 3.97 0.00 2.01 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.61 7.81 56 A 7.98 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.32 0.00 1.74 1.77 1.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 7.86 3.51 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.66 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 59 C 8.26 4.77 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.32 4.58 0.00 4.10 4.05 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 61 P 0.00 4.26 0.00 2.16 2.10 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 62 D 8.11 4.33 0.00 2.72 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 63 Y 8.18 4.05 0.00 3.10 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.72 3.68 0.00 1.83 1.60 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.91 3.94 0.00 1.66 1.66 0.87 0.94 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 66 K 7.94 4.37 0.00 1.75 1.76 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.28 7.81 67 G 7.73 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.73 4.59 0.00 2.76 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