NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3837 8.3001 120.3264 55.5340 33.2600 174.8714 2 A 4.4817 8.3670 123.6751 51.1880 19.8355 175.3385 3 K 4.2328 8.5475 117.9018 56.9078 33.6879 175.2150 4 R 4.6325 8.0507 120.2096 54.6281 34.0289 175.7233 5 V 3.8807 8.2410 115.2175 60.3676 32.4896 175.8379 6 A 4.1592 8.2534 124.0146 52.3451 18.7861 177.6876 7 E 4.1242 8.8401 121.5897 58.1666 30.0512 177.4900 8 K 4.6220 7.5789 115.2401 54.5040 35.4712 175.5066 9 E 4.0855 8.6997 120.9587 56.0939 29.3710 176.2909 10 L 4.4695 8.3301 126.5352 54.5409 43.4119 175.4007 11 T 4.7681 9.8916 120.1257 60.1546 70.7390 173.7992 12 D 4.7588 8.7736 121.9853 54.5323 39.3678 176.7752 13 R 4.7243 8.0037 115.0073 56.0896 30.0311 175.7035 14 N 5.1866 8.6540 111.5543 51.5615 39.5268 175.3011 15 W 4.3003 8.5828 116.9187 59.6245 28.2361 176.0304 16 D 4.0544 6.5014 119.4441 52.5457 39.0342 175.0034 17 E 4.6192 7.7033 121.7384 54.5862 33.8279 174.4100 18 E 4.2962 8.4902 120.9751 56.1570 30.5905 176.5841 19 D 4.7715 8.5477 124.1524 54.4757 41.5950 179.2843 20 E 4.0127 8.7154 117.5116 56.1520 30.1309 173.8877 21 V 3.1968 7.9608 117.2465 63.1998 29.5667 171.5057 22 E 4.1393 8.0653 122.0820 55.5994 30.6351 175.6022 23 E 4.6697 8.2655 123.0242 54.6238 31.6644 175.9690 24 M 4.0324 8.7909 122.8385 58.1830 32.7596 177.5765 25 G 3.9154 7.9893 105.3566 45.1323 0.0000 172.2529 26 T 4.7417 8.0728 114.7374 61.2638 72.2287 173.8384 27 F 4.5223 8.5882 119.0903 56.6103 38.8257 175.1559 28 S 4.2935 8.5493 118.5492 58.2104 63.4840 174.2701 29 V 4.1416 8.0272 124.2082 61.4162 32.4413 175.5851 30 A 4.1561 8.4435 129.0497 51.9566 19.0659 178.0633 31 S 4.4390 8.3568 116.2011 57.7965 65.3753 175.2209 32 E 3.9235 8.5750 121.6872 59.3414 29.1069 177.9955 33 E 3.9281 8.1407 117.9855 59.2928 29.8441 178.6793 34 V 3.7229 7.5331 117.8329 66.2800 31.8287 177.7507 35 M 4.0803 8.1839 118.2068 58.3666 31.8065 178.1358 36 K 3.9783 8.0056 117.6662 59.1180 32.6699 177.1092 37 N 4.8209 7.7368 114.0456 52.8379 39.6702 174.8809 38 R 4.1376 7.6113 118.1124 55.3005 30.8774 175.8356 39 A 4.2866 8.4711 125.9773 51.2611 19.2875 176.6699 40 V 4.3323 8.2494 122.5744 60.9830 33.7974 174.8418 41 K 4.5099 8.4961 126.8062 54.7664 33.5553 176.4801 42 K 4.2401 8.3359 121.1913 56.1367 33.7738 176.2628 43 A 4.3733 8.2169 124.1242 51.0628 19.7487 177.3877 44 K 4.2004 8.4163 123.0185 56.2197 33.0733 176.2413 45 R 4.7549 8.2455 122.2174 54.4858 33.1435 176.3838 46 R 4.2186 8.2749 117.1338 56.5640 30.8519 175.7784 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 M 8.30 4.38 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 2 A 8.37 4.48 1.27 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 0.00 0.00 0.00 3 K 8.55 4.23 0.00 1.76 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.46 7.81 4 R 8.05 4.63 0.00 1.74 1.77 0.00 3.21 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 1.68 1.64 0.00 5 V 8.24 3.88 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 0.68 0.00 0.00 0.93 0.00 0.00 6 A 8.25 4.16 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.84 4.12 0.00 1.95 2.00 0.00 0.00 0.00 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 2.30 0.00 8 K 7.58 4.62 0.00 1.86 1.73 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.44 7.81 9 E 8.70 4.09 0.00 2.00 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 0.00 2.32 2.30 0.00 10 L 8.33 4.47 0.00 1.62 1.59 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 11 T 9.89 4.77 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 12 D 8.77 4.76 0.00 2.84 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 13 R 8.00 4.72 0.00 1.94 2.07 0.00 3.02 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 14 N 8.65 5.19 0.00 2.99 2.91 0.00 0.00 6.95 8.17 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 15 W 8.58 4.30 0.00 3.58 3.39 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 0.00 16 D 6.50 4.05 0.00 1.58 2.06 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 17 E 7.70 4.62 0.00 1.91 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 2.22 2.21 0.00 18 E 8.49 4.30 0.00 1.93 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 2.25 2.27 0.00 19 D 8.55 4.77 0.00 2.78 2.66 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 20 E 8.72 4.01 0.00 2.23 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 0.00 2.22 2.28 0.00 21 V 7.96 3.20 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 0.71 0.00 0.00 0.93 0.00 0.00 22 E 8.07 4.14 0.00 1.97 1.84 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 2.30 2.34 0.00 23 E 8.27 4.67 0.00 1.99 1.84 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 2.23 2.27 0.00 24 M 8.79 4.03 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 25 G 7.99 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 0.00 0.00 0.00 26 T 8.07 4.74 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 0.96 0.00 0.00 27 F 8.59 4.52 0.00 3.13 3.04 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 28 S 8.55 4.29 0.00 3.95 3.86 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 29 V 8.03 4.14 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 0.81 0.00 0.00 0.71 0.00 0.00 30 A 8.44 4.16 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.44 0.00 4.06 4.04 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 32 E 8.57 3.92 0.00 2.06 1.99 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 2.38 2.37 0.00 33 E 8.14 3.93 0.00 2.00 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 0.00 2.30 2.38 0.00 34 V 7.53 3.72 2.25 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 0.95 0.00 0.00 0.94 0.00 0.00 35 M 8.18 4.08 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.61 0.00 36 K 8.01 3.98 0.00 1.92 1.95 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.43 7.81 37 N 7.74 4.82 0.00 2.68 2.87 0.00 0.00 7.03 9.01 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 38 R 7.61 4.14 0.00 1.85 1.87 0.00 3.17 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 1.66 1.71 0.00 39 A 8.47 4.29 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 40 V 8.25 4.33 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 0.89 0.00 0.00 0.94 0.00 0.00 41 K 8.50 4.51 0.00 1.78 1.71 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.41 7.81 42 K 8.34 4.24 0.00 1.86 1.81 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.43 7.81 43 A 8.22 4.37 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 44 K 8.42 4.20 0.00 1.73 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 45 R 8.25 4.75 0.00 1.80 1.80 0.00 3.37 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 46 R 8.27 4.22 0.00 1.74 1.77 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00