NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2175 8.4449 120.2220 56.4408 30.8615 174.9209 2 T 4.1161 8.3610 119.9286 60.3519 69.0566 172.6839 3 S 4.7320 8.7973 121.6950 56.5068 66.9128 172.5827 4 Y 4.6758 7.9451 117.0238 56.8883 41.7510 174.9833 5 T 4.7969 8.3040 118.0814 61.9916 72.6959 173.2914 6 L 4.8204 8.3265 125.4653 53.4047 45.3342 175.1346 7 N 5.0760 8.6320 121.4583 51.4948 42.0412 173.4037 8 E 4.5743 8.4271 121.7850 54.3913 32.9870 174.7399 9 V 3.8817 8.2922 123.9228 61.8295 31.3605 175.7874 10 V 4.2320 8.1500 128.2097 60.7193 32.1900 174.1018 11 P 4.6953 0.0000 0.0000 60.8883 29.8899 176.8606 12 L 4.1144 8.1617 123.8590 58.2070 42.3178 178.0146 13 K 3.9098 8.0882 116.9419 59.6337 32.1269 178.2273 14 E 4.0240 7.8357 115.1633 57.1856 29.3297 177.2400 15 F 4.9543 8.2874 115.9049 56.4751 41.6183 175.0246 16 V 4.5708 7.5426 119.0836 58.7495 34.3598 173.1779 17 P 4.5293 0.0000 0.0000 62.4771 31.9266 176.9666 18 E 3.8824 8.8677 118.2177 58.4195 29.5111 177.9180 19 W 4.6779 7.4947 114.1994 54.9109 31.9250 174.9392 20 V 4.6087 8.1172 113.7203 60.3988 35.3533 174.0399 21 R 4.7200 8.2791 118.2216 54.5420 33.5805 174.9899 22 I 4.4603 7.5595 113.2937 59.2906 40.2301 175.4564 23 G 3.7306 7.3279 107.9794 45.7322 0.0000 172.2280 24 F 4.8379 8.1853 116.5783 55.5863 42.4210 174.3931 25 S 4.6959 8.3557 114.9764 56.8471 65.4771 173.0087 26 A 4.6614 8.1458 126.5811 51.0424 21.9113 175.7739 27 T 4.7397 8.0335 110.0279 60.0034 72.0261 173.3075 28 T 4.8478 8.4362 112.3807 60.0460 72.5377 173.9220 29 G 4.0746 7.8287 109.5110 45.8834 0.0000 176.9140 30 A 4.2054 8.9682 129.1088 53.4346 18.6690 177.5937 31 E 4.8157 8.0149 114.8512 54.5511 32.6149 174.6046 32 F 5.2464 6.9722 114.0054 55.7043 41.1458 173.4685 33 A 4.3539 8.0978 119.4655 51.3925 21.2800 176.3425 34 A 4.3163 8.5936 124.6171 52.3747 19.2620 177.1148 35 H 4.7724 8.5312 116.6938 54.2496 32.0918 173.0608 36 E 4.7267 8.6036 122.9039 54.3099 33.2349 175.0914 37 V 4.2241 8.0862 120.1767 61.1616 33.8615 175.2126 38 L 4.4767 8.4591 126.0440 56.1789 42.8369 176.6208 39 S 4.8073 7.5637 109.5145 57.2248 65.7691 172.7334 40 W 5.4152 8.4524 128.9947 56.8969 33.2803 173.0091 41 Y 4.8746 8.7382 123.5647 56.3215 41.3699 173.6693 42 F 4.4459 7.6422 126.3715 57.0678 42.7457 172.8724 43 H 4.3309 6.4940 122.2558 54.8731 32.4761 173.0482 44 S 4.3523 7.6059 119.4910 56.5487 65.8345 172.9075 45 E 4.4477 8.4108 122.8612 54.1557 32.3813 174.1102 46 L 4.5031 8.2936 126.7479 52.7801 43.9199 175.8137 47 A 4.1525 8.5871 127.9938 52.5276 18.2930 176.7289 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 E 8.44 4.22 0.00 1.94 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 2.19 2.27 0.00 2 T 8.36 4.12 4.26 0.00 0.00 0.00 0.00 0.00 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 3 S 8.80 4.73 0.00 3.83 3.71 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 4 Y 7.95 4.68 0.00 3.00 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 5 T 8.30 4.80 4.26 0.00 0.00 0.00 0.00 0.00 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 6 L 8.33 4.82 0.00 1.55 1.49 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.63 5.08 0.00 2.68 2.67 0.00 0.00 6.68 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 8 E 8.43 4.57 0.00 1.83 1.73 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 2.15 2.32 0.00 9 V 8.29 3.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 10 V 8.15 4.23 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 0.74 0.00 0.00 0.86 0.00 0.00 11 P 0.00 4.70 0.00 2.26 2.03 0.00 4.33 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 12 L 8.16 4.11 0.00 1.84 1.75 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.09 3.91 0.00 1.70 1.82 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.53 7.81 14 E 7.84 4.02 0.00 1.16 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 15 F 8.29 4.95 0.00 2.92 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 16 V 7.54 4.57 2.30 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 0.81 0.00 0.00 0.98 0.00 0.00 17 P 0.00 4.53 0.00 2.45 2.29 0.00 3.75 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 2.24 2.03 0.00 18 E 8.87 3.88 0.00 2.13 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 2.30 2.38 0.00 19 W 7.49 4.68 0.00 3.25 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 20 V 8.12 4.61 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 0.77 0.00 0.00 0.92 0.00 0.00 21 R 8.28 4.72 0.00 1.74 1.76 0.00 3.14 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 22 I 7.56 4.46 1.74 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.68 0.62 0.00 0.00 23 G 7.33 3.73 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 0.00 0.00 0.00 24 F 8.19 4.84 0.00 2.84 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 25 S 8.36 4.70 0.00 3.75 3.65 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 0.00 0.00 0.00 0.00 26 A 8.15 4.66 1.04 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 27 T 8.03 4.74 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 1.19 0.00 0.00 28 T 8.44 4.85 4.50 0.00 0.00 0.00 0.00 0.00 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 29 G 7.83 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.97 4.21 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 31 E 8.01 4.82 0.00 1.95 1.62 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 2.18 2.21 0.00 32 F 6.97 5.25 0.00 3.11 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 33 A 8.10 4.35 1.12 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 0.00 0.00 0.00 0.00 0.00 34 A 8.59 4.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 4.77 0.00 3.02 3.14 0.00 5.65 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.60 4.73 0.00 1.86 1.77 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 2.19 2.24 0.00 37 V 8.09 4.22 1.81 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 0.43 0.00 0.00 0.16 0.00 0.00 38 L 8.46 4.48 0.00 1.64 1.70 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.56 4.81 0.00 4.04 3.85 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 40 W 8.45 5.42 0.00 3.25 3.14 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 0.00 0.00 0.00 0.00 41 Y 8.74 4.87 0.00 3.00 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 42 F 7.64 4.45 0.00 2.63 2.42 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 43 H 6.49 4.33 0.00 2.79 2.77 0.00 5.75 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.61 4.35 0.00 3.91 3.68 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 0.00 0.00 0.00 0.00 45 E 8.41 4.45 0.00 1.79 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 2.13 2.22 0.00 46 L 8.29 4.50 0.00 1.47 1.42 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.59 4.15 1.22 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 0.00 0.00 0.00