NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5206 8.3644 120.5396 53.9646 42.1909 174.4651 2 H 4.1356 8.8169 122.7647 54.9525 29.5775 173.0011 3 Y 3.9405 8.6514 128.5428 57.2539 40.0810 176.2409 4 N 4.4596 7.7772 121.6661 53.6369 35.8820 174.5227 5 C 4.6839 7.5567 119.9634 57.2018 46.1249 175.8413 6 V 3.8121 7.7216 122.2721 63.9611 31.4799 177.7603 7 S 4.2893 8.3218 116.0412 61.6894 62.6607 175.6202 8 S 4.4323 9.1666 113.2275 58.7107 63.9991 173.5062 9 G 3.6589 6.5075 116.7782 45.8989 0.0000 170.8295 10 G 4.3331 7.2979 106.7238 44.5028 0.0000 171.5654 11 Q 4.7010 8.6688 119.1162 54.9008 33.0712 172.2914 12 C 5.1571 8.5100 120.7581 55.5671 43.1458 173.2625 13 L 4.6044 8.2568 122.2680 52.8837 44.8301 177.5473 14 Y 4.8168 8.3208 120.2020 59.9337 38.0979 176.5036 15 S 4.7445 7.7349 113.7230 55.8508 65.5174 173.3075 16 A 4.1086 8.3656 124.1349 52.3372 18.4963 178.1822 17 C 3.9700 8.7379 116.6800 57.1306 40.0531 171.9330 18 P 4.2047 0.0000 0.0000 64.3645 31.7120 179.5925 19 I 3.6338 7.2660 122.8219 59.8301 38.6992 175.5373 20 F 4.6413 7.0112 113.8007 57.4865 37.8211 175.0514 21 T 4.7701 7.5710 113.6101 62.1378 71.5450 173.5177 22 K 4.5775 8.2158 119.1160 55.9881 35.9783 174.9624 23 I 4.2374 8.4181 125.5759 61.2429 38.1124 174.9223 24 Q 4.2000 8.6962 129.2664 57.5358 30.2239 175.4914 25 G 3.9642 7.1557 108.2078 45.4332 0.0000 170.3878 26 T 4.7337 8.4553 111.4688 61.6063 71.6510 174.2867 27 C 4.1026 9.3718 125.2735 58.9838 43.2765 176.5602 28 Y 4.9785 7.8510 118.1428 57.7154 38.6082 175.7912 29 R 4.0913 9.1552 119.2868 58.6912 30.2515 177.7200 30 G 4.9271 7.7369 118.5096 46.3309 0.0000 172.8039 31 K 4.2942 7.8748 123.4815 57.1859 33.0204 175.9684 32 A 5.2870 7.9472 119.6199 49.7595 22.9025 174.7673 33 K 4.7561 8.6313 120.1374 55.3031 35.5238 174.7241 34 C 4.7536 8.5988 124.0257 56.4187 41.6956 171.4183 35 C 5.5968 8.6122 125.9041 54.8685 47.2516 174.0031 36 K 4.0791 8.1931 121.2408 57.6397 32.2472 175.0592 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 D 8.36 4.52 0.00 2.70 2.68 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 2 H 8.82 4.14 0.00 3.16 3.27 0.00 5.56 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.65 3.94 0.00 2.97 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 4 N 7.78 4.46 0.00 2.51 2.76 0.00 0.00 6.72 7.62 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 5 C 7.56 4.68 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.72 3.81 2.10 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 1.11 0.00 0.00 0.94 0.00 0.00 7 S 8.32 4.29 0.00 3.87 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.17 4.43 0.00 3.87 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 9 G 6.51 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 7.30 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.67 4.70 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.76 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 12 C 8.51 5.16 0.00 2.47 2.55 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 13 L 8.26 4.60 0.00 1.55 1.52 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.32 4.82 0.00 3.03 3.01 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 15 S 7.73 4.74 0.00 3.88 3.81 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 16 A 8.37 4.11 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 17 C 8.74 3.97 0.00 2.96 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 18 P 0.00 4.20 0.00 2.11 1.97 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.90 0.00 19 I 7.27 3.63 1.60 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.01 0.72 0.00 0.00 20 F 7.01 4.64 0.00 3.07 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 21 T 7.57 4.77 4.25 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 1.27 0.00 0.00 22 K 8.22 4.58 0.00 1.76 1.91 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.36 7.81 23 I 8.42 4.24 1.83 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 1.26 0.91 0.88 0.00 0.00 24 Q 8.70 4.20 0.00 1.86 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.40 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 25 G 7.16 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 0.00 0.00 0.00 26 T 8.46 4.73 4.25 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 1.25 0.00 0.00 27 C 9.37 4.10 0.00 2.71 2.18 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 28 Y 7.85 4.98 0.00 3.10 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.16 4.09 0.00 1.88 2.09 0.00 3.37 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 30 G 7.74 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.87 4.29 0.00 1.96 2.16 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.66 1.53 7.81 32 A 7.95 5.29 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 33 K 8.63 4.76 0.00 1.79 1.90 0.00 1.28 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.56 7.81 34 C 8.60 4.75 0.00 3.02 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 35 C 8.61 5.60 0.00 2.97 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 36 K 8.19 4.08 0.00 1.89 1.70 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.49 7.81