NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3204 8.2644 123.5819 51.2617 20.7901 176.5605 3 R 4.4237 7.8586 114.7977 53.7496 32.7802 172.4971 4 A 4.8283 8.3742 127.0494 50.1278 22.3855 175.3970 5 R 4.6398 8.2440 117.7040 53.8154 32.2990 175.4882 6 K 4.0954 8.7565 121.6304 56.7932 32.7494 176.3973 7 G 4.1473 7.7247 106.9228 46.0863 0.0000 171.5977 8 A 4.8685 8.0629 120.9673 49.9141 21.9372 175.1837 9 L 4.8693 8.6214 124.6169 53.4665 43.7956 175.4943 10 V 4.4173 9.0962 126.7078 61.0596 34.0261 173.7779 11 Q 5.0783 8.6089 128.9499 54.4820 30.9812 173.9090 12 C 4.7406 8.8905 120.2449 56.8491 33.7564 173.1069 13 D 4.4753 8.6356 119.2041 53.5874 41.6107 175.2137 14 P 4.2720 0.0000 0.0000 65.9607 30.7044 179.0252 15 S 4.1338 8.5139 113.0017 61.5996 62.8329 176.6705 16 I 3.6198 7.6443 122.8318 63.4900 37.0326 177.8131 17 K 3.8537 8.2207 120.5067 59.6683 31.7879 178.6219 18 A 4.0937 7.8114 120.4758 54.6575 18.2327 179.7530 19 L 3.9344 7.3662 117.6447 57.8904 41.7520 179.2534 20 I 3.6819 7.6569 119.7827 64.7699 37.0943 178.4565 21 L 4.1663 7.9442 119.3080 57.9069 41.5003 179.6893 22 Q 4.0435 7.8745 118.1080 58.6590 28.6966 178.4439 23 I 3.8509 8.3329 121.3571 64.4327 37.0522 177.9653 24 D 4.3491 8.7359 119.1204 57.0986 40.8259 177.7330 25 A 3.9576 7.8909 120.6498 55.2819 18.4037 179.1189 26 K 4.2822 7.5972 112.8719 57.7034 32.9264 178.0978 27 M 4.3815 8.2443 118.2185 54.5483 33.0410 177.4147 28 S 4.3969 9.0856 114.2130 57.8936 63.5240 169.3425 29 D 4.8661 7.5503 118.5172 54.0442 41.4423 176.1963 30 I 4.2918 8.3229 119.3017 61.9890 39.6190 175.7251 31 V 4.3916 7.8370 121.6086 61.5545 31.6125 175.6754 32 L 4.2446 8.8595 129.3509 57.6036 42.3682 177.3986 33 E 4.6945 7.7363 115.1803 55.5603 32.9592 174.8339 34 E 4.5972 8.9405 127.5914 55.0315 30.0423 175.5942 35 L 4.2968 8.4719 127.3274 56.8557 42.5641 176.5792 36 D 4.5662 7.4389 116.4627 52.7780 41.2189 174.7358 37 D 4.3947 9.0225 117.4272 57.6299 41.0239 177.3074 38 T 4.8547 8.5459 106.0778 60.3308 69.5252 172.5903 39 H 5.4637 8.3415 118.6560 54.4944 33.2572 172.3707 40 L 5.0389 9.0461 121.5121 52.8413 46.0973 175.1846 41 L 4.9069 8.8045 125.2124 54.0076 43.3141 175.4575 42 V 4.8678 8.6054 126.1142 60.5645 35.5452 174.0223 43 N 4.4218 9.2401 125.3034 53.2493 38.9121 173.9698 44 P 4.3363 0.0000 0.0000 65.7020 31.3582 178.6044 45 S 4.2392 7.8280 110.8855 60.4354 63.0231 175.5800 46 K 4.4021 8.3375 121.6316 56.6260 32.3199 178.2929 47 V 3.6161 7.4506 119.2630 66.2748 31.4061 177.1420 48 E 3.9557 8.3789 117.4757 59.8283 29.2436 179.1725 49 F 4.0847 8.2292 119.3378 61.3571 39.6508 176.8838 50 V 3.5042 8.3172 118.1836 66.2165 31.4026 178.0554 51 K 3.9427 8.3122 118.1770 59.6018 31.7425 178.7365 52 H 3.9852 8.6384 118.7723 59.3697 29.9241 176.9682 53 E 3.7429 8.5033 121.4025 59.0192 29.1266 178.6975 54 L 3.9190 8.0175 118.5878 57.9828 41.7879 178.9994 55 N 4.3981 7.9328 115.7940 56.1675 38.1417 177.4477 56 R 3.9584 7.3299 119.7157 59.0919 30.2765 178.0739 57 L 4.1671 7.6139 117.7778 56.4619 42.7220 177.9346 58 L 4.3965 6.9787 118.4253 51.4304 40.2113 176.8360 59 S 4.4555 7.8774 117.4881 59.2980 63.7662 177.3630 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 A 8.26 4.32 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 3 R 7.86 4.42 0.00 1.81 1.76 0.00 3.18 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 4 A 8.37 4.83 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.24 4.64 0.00 1.86 1.87 0.00 3.04 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 6 K 8.76 4.10 0.00 1.77 1.79 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.44 7.81 7 G 7.72 4.15 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 0.00 0.00 0.00 8 A 8.06 4.87 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 9 L 8.62 4.87 0.00 1.66 1.59 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.10 4.42 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 0.97 0.00 0.00 0.95 0.00 0.00 11 Q 8.61 5.08 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 12 C 8.89 4.74 0.00 2.96 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 13 D 8.64 4.48 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.19 2.11 0.00 3.65 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 2.12 2.16 0.00 15 S 8.51 4.13 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.64 3.62 1.95 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 1.51 0.77 0.90 0.00 0.00 17 K 8.22 3.85 0.00 1.82 1.94 0.00 1.64 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.47 7.81 18 A 7.81 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.37 3.93 0.00 1.68 1.71 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.66 3.68 2.03 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 1.53 0.55 0.94 0.00 0.00 21 L 7.94 4.17 0.00 1.71 1.73 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 7.87 4.04 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 23 I 8.33 3.85 2.04 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 1.38 0.63 1.01 0.00 0.00 24 D 8.74 4.35 0.00 2.84 2.86 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 25 A 7.89 3.96 1.40 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 0.00 0.00 0.00 26 K 7.60 4.28 0.00 1.85 1.90 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.60 7.81 27 M 8.24 4.38 0.00 2.08 2.38 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.72 0.00 28 S 9.09 4.40 0.00 4.07 4.21 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 0.00 0.00 0.00 0.00 29 D 7.55 4.87 0.00 2.52 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 4.29 2.11 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.98 0.00 0.00 31 V 7.84 4.39 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 32 L 8.86 4.24 0.00 1.71 1.71 0.92 0.77 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 33 E 7.74 4.69 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 34 E 8.94 4.60 0.00 1.97 1.86 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 2.24 2.33 0.00 35 L 8.47 4.30 0.00 1.90 1.70 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.44 4.57 0.00 2.87 2.77 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 0.00 0.00 0.00 37 D 9.02 4.39 0.00 2.68 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 38 T 8.55 4.85 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 39 H 8.34 5.46 0.00 3.13 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 9.05 5.04 0.00 1.54 1.51 0.93 0.51 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 41 L 8.80 4.91 0.00 1.77 1.66 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.61 4.87 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 0.96 0.00 0.00 0.96 0.00 0.00 43 N 9.24 4.42 0.00 2.76 2.69 0.00 0.00 7.37 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 44 P 0.00 4.34 0.00 2.20 2.09 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 45 S 7.83 4.24 0.00 4.03 3.99 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 46 K 8.34 4.40 0.00 1.89 1.97 0.00 1.44 0.00 0.00 1.42 0.00 0.00 2.81 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.68 7.81 47 V 7.45 3.62 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 1.14 0.00 0.00 1.01 0.00 0.00 48 E 8.38 3.96 0.00 2.09 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 0.00 2.45 2.38 0.00 49 F 8.23 4.08 0.00 3.12 3.26 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 50 V 8.32 3.50 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 0.93 0.00 0.00 1.05 0.00 0.00 51 K 8.31 3.94 0.00 1.83 1.84 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.70 7.81 52 H 8.64 3.99 0.00 3.22 3.40 0.00 5.78 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.50 3.74 0.00 1.38 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 2.09 2.24 0.00 54 L 8.02 3.92 0.00 1.75 1.67 0.90 1.04 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 55 N 7.93 4.40 0.00 2.90 2.79 0.00 0.00 6.72 7.18 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 56 R 7.33 3.96 0.00 1.71 2.01 0.00 3.26 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 57 L 7.61 4.17 0.00 1.83 1.71 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 58 L 6.98 4.40 0.00 1.80 1.60 0.90 0.79 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 59 S 7.88 4.46 0.00 3.98 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00