NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.2719 8.3645 123.5824 52.2429 19.6083 178.7211 1 N 4.5875 9.1678 115.7922 50.6140 38.3513 175.8152 2 Q 4.4219 8.2529 123.6644 55.9372 31.2511 174.9998 3 A 4.7541 8.5999 128.0975 51.3049 21.0944 175.9145 4 S 5.1302 8.9269 116.2764 56.2824 67.4331 173.4363 5 V 4.3461 8.3724 121.6296 62.8004 32.4301 174.9832 6 V 4.8353 8.6602 127.1862 60.5758 35.1066 174.3060 7 A 4.4806 8.8098 129.7306 52.4521 18.6149 177.5849 8 N 4.6535 9.2784 122.5405 55.3511 39.6306 174.3154 9 Q 4.6314 7.6099 114.2611 54.9305 31.9062 173.7643 10 L 4.2331 8.4806 122.1984 55.3914 43.0395 175.9026 11 I 4.4123 8.7384 127.6532 58.9028 38.8214 173.7171 12 P 4.6231 0.0000 0.0000 62.0448 32.0803 176.3398 13 I 3.6137 8.3948 122.2392 62.1565 38.6205 175.0304 14 N 4.3126 8.5730 123.8698 55.0425 36.8506 174.2803 15 T 4.7631 7.5430 112.1954 61.2920 72.3401 173.9804 16 A 4.5281 8.5998 127.7441 51.8023 19.2396 177.2697 17 L 4.2681 9.1100 124.0239 54.7961 43.0104 176.5749 18 S 5.0413 8.4486 116.6243 56.0794 66.4988 174.9647 19 L 4.0388 8.5731 119.7938 57.9730 41.5207 180.2672 20 V 3.7422 7.7370 110.5261 63.9863 31.8075 176.7707 21 M 4.2824 8.0657 118.5853 56.2162 32.3146 175.2448 22 M 5.2926 7.8315 118.5804 53.3908 34.9858 175.1521 23 R 4.8378 9.0878 120.4651 54.2764 33.2790 174.4753 24 S 5.2787 8.3218 112.6146 56.9358 65.9017 172.9615 25 E 4.6589 8.7643 120.4813 55.1889 33.5828 174.3765 26 V 4.4985 8.3552 125.3926 62.2730 31.7145 175.3617 27 V 4.6228 8.2619 120.0767 59.7386 35.4951 175.2936 28 T 4.6213 8.0802 116.8436 60.9225 71.6939 172.7085 29 P 4.4539 0.0000 0.0000 62.2806 32.1392 175.9099 30 V 3.8736 8.1812 119.1847 62.7128 32.6966 175.9158 31 G 4.3523 8.3449 115.6090 45.4363 0.0000 172.9143 32 I 3.9062 8.4934 123.8237 60.8301 38.3607 174.3627 33 P 4.7312 0.0000 0.0000 62.8182 31.9657 177.2796 34 A 3.9794 8.8434 125.9877 55.3699 17.9980 180.0030 35 E 4.0478 8.1633 114.6456 59.1935 29.7799 177.9860 36 D 4.7095 8.1092 118.5500 54.4869 41.1204 177.8794 37 I 3.7461 7.7878 123.0063 64.1253 37.0706 176.4010 38 P 4.3265 0.0000 0.0000 65.7182 30.8468 178.3827 39 R 4.1574 7.6345 115.0196 58.6211 29.8975 178.3620 40 L 4.2173 7.8817 119.2227 55.6537 41.5741 177.1899 41 V 3.8522 6.6390 117.5337 64.7763 31.6092 176.3628 42 S 4.2230 9.0663 122.5195 58.7787 61.7817 169.6811 43 M 4.4488 7.9580 120.5506 55.1562 33.3146 175.3461 44 Q 5.3694 8.3907 119.6558 53.9014 31.7276 175.4773 45 V 4.5602 8.2490 115.3913 60.9489 33.4698 176.1282 46 N 4.9373 8.9322 120.2067 52.7881 38.4072 174.2479 47 R 4.6994 7.5658 113.9469 54.8503 32.3303 174.5841 48 A 4.2635 8.6357 122.6372 52.3175 19.4970 177.2484 49 V 4.2293 8.8593 122.1073 60.2812 33.7190 173.4300 50 P 4.6514 0.0000 0.0000 61.9578 32.6958 175.9161 51 L 3.9588 8.4897 123.3209 57.1884 42.1362 177.7951 52 G 3.9577 8.8833 113.3207 45.7305 0.0000 173.5718 53 T 4.2029 7.6552 117.5555 63.3145 69.7885 174.2390 54 T 4.3995 8.3819 122.8655 63.3468 69.4791 174.2092 55 L 4.1334 8.8736 127.5128 54.9748 42.7421 176.4798 56 M 4.7356 8.4464 123.3304 52.7618 34.3443 175.1510 57 P 4.0432 0.0000 0.0000 65.8520 31.5950 178.3200 58 D 4.5379 8.0002 115.1398 55.3487 39.7315 176.6909 59 M 4.5029 8.0841 118.9654 55.2086 32.9061 175.5820 60 V 4.6221 7.2765 119.8553 60.3484 33.2308 174.7543 61 K 4.2563 8.8548 128.4130 58.0047 32.0066 177.5096 62 G 3.9571 9.0631 112.5401 45.2127 0.0000 172.3470 63 Y 4.2276 7.6047 120.4155 56.9907 39.4513 174.7098 64 A 4.1378 7.2838 127.6874 51.1166 22.3023 175.9230 65 A 3.9330 7.9122 124.7160 52.7253 18.9521 176.0025 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 0 A 8.36 4.27 1.18 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 0.00 0.00 1 N 9.17 4.59 0.00 2.83 2.68 0.00 0.00 6.51 6.57 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 2 Q 8.25 4.42 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 3 A 8.60 4.75 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 5.13 0.00 3.70 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 5 V 8.37 4.35 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 0.93 0.00 0.00 0.92 0.00 0.00 6 V 8.66 4.84 2.07 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 1.04 0.00 0.00 0.92 0.00 0.00 7 A 8.81 4.48 1.33 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 8 N 9.28 4.65 0.00 2.70 2.97 0.00 0.00 7.06 7.02 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 9 Q 7.61 4.63 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 10 L 8.48 4.23 0.00 1.67 1.61 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.74 4.41 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.90 0.00 0.00 12 P 0.00 4.62 0.00 1.93 1.98 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 13 I 8.39 3.61 1.87 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 1.34 0.74 0.91 0.00 0.00 14 N 8.57 4.31 0.00 2.91 2.87 0.00 0.00 6.77 7.25 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 15 T 7.54 4.76 4.39 0.00 0.00 0.00 0.00 0.00 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 16 A 8.60 4.53 1.23 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 0.00 0.00 17 L 9.11 4.27 0.00 1.76 1.60 0.96 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.45 5.04 0.00 3.85 3.93 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 19 L 8.57 4.04 0.00 1.73 1.76 0.92 0.87 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 V 7.74 3.74 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 0.70 0.00 0.00 0.93 0.00 0.00 21 M 8.07 4.28 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 22 M 7.83 5.29 0.00 1.82 1.93 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 9.09 4.84 0.00 1.82 2.03 0.00 2.70 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 24 S 8.32 5.28 0.00 3.93 3.83 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 25 E 8.76 4.66 0.00 2.04 1.76 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 2.21 2.24 0.00 26 V 8.36 4.50 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 0.84 0.00 0.00 0.93 0.00 0.00 27 V 8.26 4.62 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 28 T 8.08 4.62 4.24 0.00 0.00 0.00 0.00 0.00 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 29 P 0.00 4.45 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 V 8.18 3.87 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.34 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.49 3.91 1.71 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.62 0.76 0.00 0.00 33 P 0.00 4.73 0.00 2.10 2.00 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 34 A 8.84 3.98 1.33 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 35 E 8.16 4.05 0.00 2.15 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 2.30 2.43 0.00 36 D 8.11 4.71 0.00 3.04 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 37 I 7.79 3.75 1.94 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 1.57 1.24 0.91 0.00 0.00 38 P 0.00 4.33 0.00 2.27 2.32 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 39 R 7.63 4.16 0.00 1.99 2.14 0.00 3.19 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 40 L 7.88 4.22 0.00 1.91 1.76 0.84 0.56 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 41 V 6.64 3.85 2.22 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 0.76 0.00 0.00 1.02 0.00 0.00 42 S 9.07 4.22 0.00 4.08 4.08 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 0.00 0.00 0.00 43 M 7.96 4.45 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 44 Q 8.39 5.37 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.22 0.00 45 V 8.25 4.56 2.19 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 0.78 0.00 0.00 1.01 0.00 0.00 46 N 8.93 4.94 0.00 2.84 3.03 0.00 0.00 6.67 7.23 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 47 R 7.57 4.70 0.00 1.78 1.89 0.00 3.03 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 48 A 8.64 4.26 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.86 4.23 2.07 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 0.97 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.65 0.00 2.10 1.95 0.00 3.67 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.49 3.96 0.00 1.57 1.60 0.95 1.05 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 52 G 8.88 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 53 T 7.66 4.20 4.27 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 0.00 0.00 0.00 1.19 0.00 0.00 54 T 8.38 4.40 4.22 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 1.24 0.00 0.00 55 L 8.87 4.13 0.00 1.69 1.48 0.88 0.74 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 56 M 8.45 4.74 0.00 2.08 1.97 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 2.59 2.62 0.00 57 P 0.00 4.04 0.00 2.27 2.42 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 58 D 8.00 4.54 0.00 2.80 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 59 M 8.08 4.50 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.41 0.00 60 V 7.28 4.62 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 1.07 0.00 0.00 0.81 0.00 0.00 61 K 8.85 4.26 0.00 1.78 1.77 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.49 7.81 62 G 9.06 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 63 Y 7.60 4.23 0.00 2.95 2.99 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 64 A 7.28 4.14 1.06 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 65 A 7.91 3.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00