NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6359 8.3049 118.3347 55.0666 33.0937 173.6921 2 K 4.5292 7.9302 115.3164 53.8057 35.5946 170.3813 3 V 4.8932 9.0957 124.6566 61.4737 32.9929 179.0596 4 R 4.1727 9.1003 124.0905 56.9936 27.8681 174.5650 5 A 4.0006 7.6938 121.2001 53.5783 19.0334 177.1812 6 S 4.1744 7.8367 108.6340 58.4664 62.4376 173.3579 7 V 4.1128 7.6450 124.7124 58.5392 34.2536 177.2277 8 K 3.4660 7.7566 120.0717 56.3346 33.4255 174.1733 9 K 4.4827 8.1700 116.4680 55.9116 33.9048 176.4534 10 L 4.5557 8.2528 118.9910 55.2446 43.4761 175.6811 11 C 4.6874 7.4976 112.1528 56.8550 32.0336 174.5683 12 R 4.0934 8.5401 115.5154 57.9466 28.7841 176.5072 13 N 4.7309 7.9815 116.9699 53.6474 39.0177 173.9335 14 C 4.8448 7.5715 114.6313 58.8683 29.3404 172.0869 15 K 4.1576 7.7982 117.5061 57.3474 33.6261 173.0427 16 I 3.4565 7.9860 129.7193 60.9989 35.8595 173.7618 17 V 4.3316 8.6368 118.6310 59.1299 35.5567 174.3033 18 K 3.8715 8.7956 125.5834 57.2859 32.2768 177.1353 19 R 4.4729 7.5521 130.7029 53.6310 29.1645 173.7238 20 D 4.9989 8.3060 121.2237 53.4992 37.9600 176.6788 21 G 4.1024 8.1137 112.2505 46.1294 0.0000 173.1009 22 V 3.8116 7.7366 113.8577 60.3610 31.0496 175.3807 23 I 4.0967 8.1722 126.7364 61.8170 36.3487 176.1965 24 R 4.6726 8.3518 125.3399 54.8709 32.2869 175.5188 25 V 4.7768 8.4956 120.1412 61.2602 34.1589 174.1762 26 I 4.6953 8.3657 127.5681 59.6018 39.9994 173.7922 27 C 5.1378 8.7064 126.4316 57.7524 33.3029 173.5883 28 S 4.5037 8.3232 119.3962 58.6488 63.6465 175.1885 29 A 4.1628 7.1956 124.2556 53.6715 18.8269 176.8148 30 E 4.7570 7.4605 114.3542 53.8511 32.1520 175.0587 31 P 4.4913 0.0000 0.0000 64.2733 32.0683 178.9736 32 K 3.8969 8.0678 117.6189 59.7151 32.1015 178.1184 33 H 4.3031 8.2484 114.1056 57.6586 28.9703 175.6057 34 K 4.4231 7.5545 122.5941 56.6651 33.1592 175.6669 35 Q 4.9289 8.6647 123.1878 55.0435 32.3170 173.5610 36 R 4.7427 9.3735 122.6520 55.1759 33.4728 172.5099 37 Q 3.6874 9.1991 126.9833 55.8834 29.8156 173.3945 38 G 4.2767 8.8290 109.4621 46.4431 0.0000 173.8439 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 4.64 0.00 2.04 2.26 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 2.47 2.53 0.00 2 K 7.93 4.53 0.00 1.65 1.69 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.33 1.63 7.81 3 V 9.10 4.89 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 1.03 0.00 0.00 0.93 0.00 0.00 4 R 9.10 4.17 0.00 1.92 2.16 0.00 3.21 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 5 A 7.69 4.00 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 6 S 7.84 4.17 0.00 3.83 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 7 V 7.64 4.11 2.21 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 0.85 0.00 0.00 0.97 0.00 0.00 8 K 7.76 3.47 0.00 1.97 1.89 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.32 1.40 7.81 9 K 8.17 4.48 0.00 2.02 1.85 0.00 1.43 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.51 7.81 10 L 8.25 4.56 0.00 1.55 1.65 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.50 4.69 0.00 3.08 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 12 R 8.54 4.09 0.00 1.94 2.10 0.00 3.01 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 13 N 7.98 4.73 0.00 2.75 2.76 0.00 0.00 7.17 7.65 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 14 C 7.57 4.84 0.00 2.99 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 15 K 7.80 4.16 0.00 1.68 1.87 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 I 7.99 3.46 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 1.42 0.54 0.91 0.00 0.00 17 V 8.64 4.33 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 0.85 0.00 0.00 0.93 0.00 0.00 18 K 8.80 3.87 0.00 1.71 1.76 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.43 7.81 19 R 7.55 4.47 0.00 2.12 1.81 0.00 3.29 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 20 D 8.31 5.00 0.00 2.77 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 21 G 8.11 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 0.00 0.00 0.00 22 V 7.74 3.81 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 0.82 0.00 0.00 0.93 0.00 0.00 23 I 8.17 4.10 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 0.47 0.91 0.00 0.00 24 R 8.35 4.67 0.00 1.82 1.84 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 25 V 8.50 4.78 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 1.00 0.00 0.00 0.98 0.00 0.00 26 I 8.37 4.70 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 1.23 1.28 0.91 0.00 0.00 27 C 8.71 5.14 0.00 2.95 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 28 S 8.32 4.50 0.00 3.85 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 29 A 7.20 4.16 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 30 E 7.46 4.76 0.00 1.71 1.83 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 2.15 2.21 0.00 31 P 0.00 4.49 0.00 2.18 2.08 0.00 3.60 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 2.11 2.09 0.00 32 K 8.07 3.90 0.00 1.85 1.90 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.49 7.81 33 H 8.25 4.30 0.00 3.08 3.38 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.55 4.42 0.00 1.83 1.84 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.57 7.81 35 Q 8.66 4.93 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.40 0.00 0.00 0.00 0.00 0.00 2.46 2.31 0.00 36 R 9.37 4.74 0.00 1.84 1.80 0.00 3.21 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 37 Q 9.20 3.69 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.41 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 38 G 8.83 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 0.00 0.00 0.00 0.00