NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3571 8.1127 119.6564 56.0910 32.2184 173.7027 5 E 4.7402 8.4551 121.9747 53.1573 31.9566 173.8019 6 C 4.3547 9.7144 127.9158 59.4628 32.5676 173.5917 7 D 4.4539 8.5429 127.7976 56.2125 39.8711 176.0127 8 Y 4.3297 6.8473 119.2803 58.9878 40.4718 176.2372 9 C 3.9785 8.1644 114.0425 60.2394 30.6755 175.7188 10 G 4.0131 8.3633 106.5662 44.9178 0.0000 173.5925 11 T 4.2557 7.7939 109.9314 61.3306 70.5668 173.3831 12 D 4.9245 8.4946 122.6945 54.3038 41.6017 176.2418 13 I 4.0453 8.5685 125.7178 60.4676 37.8003 175.7984 14 E 3.9602 8.9361 128.9460 55.2968 29.9245 174.6077 15 P 4.2402 0.0000 0.0000 64.4231 31.6178 175.7881 16 G 3.8340 9.5997 107.4519 46.5016 0.0000 173.1479 17 T 4.4009 7.9280 112.8470 63.0570 72.5139 174.4055 18 G 4.1340 9.1271 108.7472 45.6907 0.0000 172.6253 19 T 4.8083 8.4305 113.6390 61.7630 72.8187 173.0934 20 M 5.0232 8.7790 124.3479 53.8977 34.3313 174.4246 21 F 4.8200 9.4201 129.9249 56.8670 41.3020 174.4772 22 V 4.2122 7.7140 126.7386 61.7923 32.3412 175.5217 23 H 4.2116 8.9451 125.9840 54.8164 29.6085 176.5991 24 K 3.8873 8.6943 121.9419 59.7783 31.9070 177.6528 25 D 4.4222 7.9690 115.5158 54.2399 39.5690 176.7580 26 G 3.9385 7.8085 107.3581 44.9286 0.0000 173.8946 27 A 4.2706 8.8329 122.2012 52.4784 19.7270 176.5726 28 T 5.0831 8.2924 114.6933 62.1389 72.4589 174.1560 29 T 4.6201 8.6959 120.9456 62.2801 72.5946 172.6703 30 H 5.0340 9.5549 125.4493 55.0034 30.3767 174.6220 31 F 5.3261 9.5347 122.9105 55.9321 41.1412 176.6983 32 C 4.3810 9.1104 116.7821 60.1865 30.6110 173.5358 33 S 4.5930 7.6029 114.2661 56.3971 66.3871 175.4344 34 S 4.4244 8.3718 117.8226 60.7185 62.7427 175.9706 35 K 3.7360 8.0487 122.8346 59.7047 31.8348 178.3292 36 C 4.2617 7.7720 115.2831 62.7406 27.9925 175.7874 37 E 2.5400 7.5402 119.5710 59.1850 28.5246 179.2454 38 N 4.1783 8.3274 116.5231 56.4320 38.4081 177.3130 39 N 4.4170 8.1569 117.6172 56.0946 38.5064 177.4133 40 A 4.0792 7.5398 122.3744 55.1807 18.2630 179.4037 41 D 4.2379 7.8239 116.1419 56.7863 40.9041 178.0031 42 L 4.3525 7.2979 117.0260 54.5168 41.8463 177.6001 43 G 3.9549 8.0593 107.5015 45.7733 0.0000 174.0341 44 R 4.3145 7.5837 118.3086 55.4264 31.1600 175.7641 45 E 4.5796 8.4729 120.5106 54.3693 31.5626 176.8674 46 A 3.4565 8.1630 126.0216 55.2819 18.4058 179.9773 47 R 3.8216 7.6848 113.1934 59.0958 30.1696 177.3285 48 N 4.4715 7.9187 112.9953 53.5583 39.1722 174.7457 49 L 4.4782 7.3908 120.0924 52.6466 42.2386 177.0797 50 E 3.9744 8.8834 124.7858 58.6678 29.5380 178.4685 51 W 4.5737 7.6813 113.8274 57.7755 28.7984 176.9085 52 T 3.6806 6.8954 117.3727 63.3250 68.1390 174.8840 53 D 4.6245 8.4742 123.9019 55.9620 41.2464 177.5916 54 T 4.0002 7.3991 116.6099 65.8929 69.0338 175.7302 55 A 3.8825 7.1150 122.8014 52.9398 18.0830 177.5133 56 R 4.1581 8.2414 117.2995 55.0592 29.8647 177.2345 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 4 R 8.11 4.36 0.00 1.77 1.89 0.00 2.98 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 5 E 8.46 4.74 0.00 1.96 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 6 C 9.71 4.35 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.45 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.85 4.33 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.16 3.98 0.00 3.15 3.36 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 10 G 8.36 4.01 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 0.00 0.00 0.00 11 T 7.79 4.26 4.30 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 1.34 0.00 0.00 12 D 8.49 4.92 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.57 4.05 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.96 0.00 0.00 14 E 8.94 3.96 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 15 P 0.00 4.24 0.00 2.22 2.07 0.00 3.92 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 16 G 9.60 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 0.00 0.00 0.00 17 T 7.93 4.40 4.56 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 1.25 0.00 0.00 18 G 9.13 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 0.00 0.00 0.00 19 T 8.43 4.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 20 M 8.78 5.02 0.00 1.98 1.88 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 2.02 2.39 0.00 21 F 9.42 4.82 0.00 3.31 3.18 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 22 V 7.71 4.21 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 0.73 0.00 0.00 0.83 0.00 0.00 23 H 8.95 4.21 0.00 3.29 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.69 3.89 0.00 1.74 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 7.97 4.42 0.00 2.82 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 26 G 7.81 3.94 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 0.00 0.00 0.00 27 A 8.83 4.27 1.16 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 0.00 0.00 0.00 0.00 0.00 28 T 8.29 5.08 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 1.16 0.00 0.00 29 T 8.70 4.62 4.36 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 0.55 0.00 0.00 30 H 9.55 5.03 0.00 3.09 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.53 5.33 0.00 3.02 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.11 4.38 0.00 3.17 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 33 S 7.60 4.59 0.00 4.04 4.03 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 0.00 0.00 0.00 34 S 8.37 4.42 0.00 3.98 4.10 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 0.00 0.00 0.00 0.00 35 K 8.05 3.74 0.00 1.75 1.84 0.00 1.38 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.44 1.38 7.81 36 C 7.77 4.26 0.00 3.28 3.19 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 0.00 0.00 0.00 0.00 37 E 7.54 2.54 0.00 1.72 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 1.47 2.17 0.00 38 N 8.33 4.18 0.00 2.63 2.78 0.00 0.00 7.12 6.81 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 39 N 8.16 4.42 0.00 3.12 3.12 0.00 0.00 6.91 7.57 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 40 A 7.54 4.08 1.16 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 0.00 0.00 0.00 0.00 0.00 41 D 7.82 4.24 0.00 2.69 2.65 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 42 L 7.30 4.35 0.00 1.84 1.73 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.06 3.95 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 0.00 0.00 0.00 44 R 7.58 4.31 0.00 2.14 1.98 0.00 3.26 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 45 E 8.47 4.58 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 46 A 8.16 3.46 0.50 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 0.00 0.00 0.00 47 R 7.68 3.82 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 48 N 7.92 4.47 0.00 2.81 2.83 0.00 0.00 6.91 7.37 0.00 0.00 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 L 7.39 4.48 0.00 1.20 0.97 1.11 0.83 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 50 E 8.88 3.97 0.00 2.02 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 0.00 2.32 2.33 0.00 51 W 7.68 4.57 0.00 3.55 3.22 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 52 T 6.90 3.68 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 0.93 0.00 0.00 53 D 8.47 4.62 0.00 2.77 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.40 4.00 4.01 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 1.07 0.00 0.00 55 A 7.12 3.88 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.16 0.00 1.90 1.90 0.00 3.14 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00