NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0944 7.9133 120.3104 61.8441 32.6846 174.9417 6 R 4.5594 8.3376 116.7524 55.4181 29.8529 175.9383 7 I 4.5963 7.7717 115.4430 60.6559 42.1638 174.4405 8 K 4.5982 7.2688 121.0748 56.1270 32.7001 175.4199 9 L 3.9948 7.7006 116.6407 54.9732 41.5114 175.8290 10 L 4.9558 8.4463 122.2358 54.8438 41.7360 175.5473 11 L 5.5419 8.2223 120.9498 53.5580 44.4935 174.3500 12 E 4.9458 8.4019 116.2231 55.2275 34.6352 174.6693 13 C 5.2325 8.6809 117.1839 58.3732 32.0128 173.1325 14 T 4.6036 8.5660 119.3144 59.0421 68.3795 173.1952 15 E 3.7137 8.6268 130.1014 56.6822 30.3159 177.6989 16 C 4.3017 8.2627 122.1928 60.8030 29.1194 172.8621 17 K 3.6580 8.5866 115.8612 59.6795 28.8880 175.9523 18 R 3.0623 8.8345 114.1012 57.5794 30.1903 176.0300 19 R 2.9891 9.0373 116.8032 58.1835 29.7900 171.8840 20 N 4.6063 8.7502 120.5025 53.8679 38.5860 173.3104 21 Y 5.6191 8.6579 116.8180 55.9519 42.0470 173.7759 22 A 4.4030 8.4841 118.4835 52.9488 22.7361 172.9095 23 T 3.7057 8.3853 113.6495 61.3312 69.7785 170.4240 24 E 4.6645 9.8436 127.5821 54.9795 33.9238 173.7535 25 K 4.8162 8.5849 121.1833 54.6881 35.2934 175.8656 26 N 4.9163 9.2734 123.7356 52.0533 40.8300 175.5326 27 K 5.2887 9.3830 129.2257 60.1700 35.2872 180.5628 28 R 3.0639 7.0273 113.0050 57.4712 32.2292 177.2170 29 N 4.4149 7.8524 121.1200 55.9772 38.2593 175.7647 30 T 4.0099 8.3043 113.5071 61.0309 67.9780 169.2354 31 P 4.4518 0.0000 0.0000 61.7495 30.7870 174.0400 32 N 4.7776 9.0282 116.6579 52.2162 43.2862 173.3668 33 K 4.2874 8.4393 122.6922 56.7031 34.1684 175.9125 34 L 4.1351 7.4691 115.6609 53.7189 44.6430 173.3292 35 E 4.0518 8.5387 127.8887 57.0388 30.9725 175.8645 36 L 4.5304 8.1574 122.9660 55.1144 44.2751 173.5302 37 R 4.6016 8.6679 121.0566 54.6274 32.5993 174.6622 38 K 4.2061 8.8579 122.3863 58.1005 32.5880 175.0345 39 Y 4.5192 8.9976 123.0383 57.1388 43.3343 172.8734 40 C 5.0906 8.5352 121.4851 57.3647 32.9642 171.8190 41 P 4.8168 0.0000 0.0000 61.2406 32.8945 175.6311 42 W 5.2632 8.7306 125.3860 58.0645 30.3270 175.1109 43 C 4.7015 7.7835 114.1709 59.7947 31.3188 174.0316 44 R 4.2635 8.8124 123.4377 56.5771 26.7788 174.6788 45 K 4.8670 8.1102 124.7755 56.5597 34.3890 174.9778 46 H 4.6511 8.6611 118.5757 57.3051 29.7394 174.7587 47 T 4.5874 8.9139 116.8548 61.0987 69.3615 172.8596 48 V 3.7709 7.7264 112.6162 59.3504 32.1841 172.6806 49 H 4.6094 8.6258 125.6009 56.9455 27.2871 174.1385 50 R 4.8144 8.0172 120.3390 53.6085 32.4009 174.8662 51 E 5.0103 8.5889 122.4599 56.8441 30.3534 176.0516 52 V 4.2067 8.6287 122.8651 60.4868 34.5104 173.9321 53 K 3.7106 9.0133 122.8349 57.1570 32.5196 174.0626 54 I 3.9073 8.2064 108.8310 60.8752 37.5705 175.7897 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 5 V 7.91 4.09 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 0.84 0.00 0.00 0.93 0.00 0.00 6 R 8.34 4.56 0.00 1.88 1.97 0.00 3.23 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 7 I 7.77 4.60 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 1.30 0.59 0.91 0.00 0.00 8 K 7.27 4.60 0.00 1.82 1.73 0.00 1.80 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.37 7.81 9 L 7.70 3.99 0.00 1.72 1.81 0.92 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.45 4.96 0.00 1.81 1.69 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.22 5.54 0.00 1.69 1.80 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.40 4.95 0.00 2.17 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 2.20 2.24 0.00 13 C 8.68 5.23 0.00 2.75 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 14 T 8.57 4.60 3.75 0.00 0.00 0.00 0.00 0.00 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 15 E 8.63 3.71 0.00 1.64 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 2.20 2.29 0.00 16 C 8.26 4.30 0.00 2.96 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 17 K 8.59 3.66 0.00 2.04 1.87 0.00 1.76 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.45 7.81 18 R 8.83 3.06 0.00 1.79 1.80 0.00 3.41 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 19 R 9.04 2.99 0.00 1.89 1.96 0.00 3.42 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 20 N 8.75 4.61 0.00 2.89 2.90 0.00 0.00 6.61 7.48 0.00 0.00 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 Y 8.66 5.62 0.00 2.81 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 22 A 8.48 4.40 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.39 3.71 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 1.25 0.00 0.00 24 E 9.84 4.66 0.00 1.81 1.81 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 2.08 2.24 0.00 25 K 8.58 4.82 0.00 1.68 1.60 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.70 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.40 7.81 26 N 9.27 4.92 0.00 2.81 2.01 0.00 0.00 7.06 5.96 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 27 K 9.38 5.29 0.00 1.82 1.77 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.29 7.81 28 R 7.03 3.06 0.00 1.91 2.20 0.00 3.26 0.00 0.00 3.27 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 29 N 7.85 4.41 0.00 2.81 2.94 0.00 0.00 5.93 7.71 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 30 T 8.30 4.01 4.31 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 1.21 0.00 0.00 31 P 0.00 4.45 0.00 2.08 2.03 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 32 N 9.03 4.78 0.00 2.95 2.74 0.00 0.00 6.63 8.43 0.00 0.00 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 8.44 4.29 0.00 1.67 1.77 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 34 L 7.47 4.14 0.00 1.58 1.49 0.92 0.93 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 35 E 8.54 4.05 0.00 2.32 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 36 L 8.16 4.53 0.00 1.62 1.51 0.93 0.88 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 37 R 8.67 4.60 0.00 1.82 1.86 0.00 3.21 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 38 K 8.86 4.21 0.00 1.82 1.80 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.67 7.81 39 Y 9.00 4.52 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.54 5.09 0.00 2.78 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 41 P 0.00 4.82 0.00 2.42 2.31 0.00 4.06 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.09 0.00 42 W 8.73 5.26 0.00 3.23 3.08 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 C 7.78 4.70 0.00 2.98 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 44 R 8.81 4.26 0.00 1.99 1.89 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 45 K 8.11 4.87 0.00 1.71 1.68 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.42 7.81 46 H 8.66 4.65 0.00 3.17 3.22 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.91 4.59 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 1.34 0.00 0.00 48 V 7.73 3.77 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 0.78 0.00 0.00 0.91 0.00 0.00 49 H 8.63 4.61 0.00 3.64 3.48 0.00 6.03 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.02 4.81 0.00 1.83 1.98 0.00 2.97 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 51 E 8.59 5.01 0.00 2.04 1.92 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 2.34 2.13 0.00 52 V 8.63 4.21 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 0.81 0.00 0.00 1.00 0.00 0.00 53 K 9.01 3.71 0.00 1.91 1.56 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.45 7.81 54 I 8.21 3.91 1.85 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 1.21 0.61 0.88 0.00 0.00