NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4456 8.3049 120.3266 54.5793 33.8798 176.7006 2 K 4.2151 8.2210 118.9481 57.7586 32.5462 171.6537 3 V 5.0032 7.2354 118.7307 60.1840 34.6159 173.7744 4 R 4.3739 7.8614 120.6552 56.0160 31.3763 175.1571 5 A 3.8595 8.9243 123.0009 54.1811 18.7036 177.5044 6 S 4.5165 7.9007 110.4659 56.6758 62.7005 172.9520 7 V 4.3502 8.2044 127.7721 60.9366 32.9555 174.8324 8 K 4.7363 7.8692 125.7903 54.2761 36.1888 176.1809 9 R 4.0953 8.4006 119.6849 56.6133 30.5165 176.7109 10 I 3.9796 8.3090 124.2832 62.9586 38.1069 175.6158 11 C 4.9213 7.4568 112.8269 55.5696 32.3150 174.2193 12 D 4.4185 8.6008 118.7672 55.9087 38.7508 177.4606 13 K 4.2339 7.8912 117.2056 57.2984 32.6083 176.3273 14 C 4.6102 8.0618 118.3959 59.5039 28.6630 173.2977 15 K 4.5565 9.1005 123.4143 54.7861 34.9849 175.8088 16 V 4.5770 8.2846 123.8584 61.6615 30.9737 175.1607 17 I 4.1732 8.0000 126.5306 60.4337 39.2280 174.9571 18 R 5.0375 8.4310 123.7570 54.4767 31.3632 173.5192 19 R 4.4692 7.9897 121.0047 55.1860 32.0239 175.9482 20 H 3.7933 9.3307 118.2727 56.9958 25.5699 176.9705 21 G 4.0529 8.2505 105.7357 45.8679 0.0000 173.7910 22 R 4.6392 7.5562 118.6732 54.4262 32.5045 175.1339 23 V 4.4662 8.2643 120.6860 62.3210 31.5539 174.5676 24 Y 5.2115 8.7939 126.4950 56.5174 42.0065 174.9599 25 V 4.6255 8.1767 119.4129 62.4069 34.0644 174.0064 26 I 4.6315 8.5127 129.5148 61.0093 39.1817 174.6180 27 C 4.8941 8.1203 123.4451 58.8974 34.3770 173.7196 28 E 4.0449 8.9745 121.3909 58.7743 29.4420 176.1416 29 N 4.7783 7.8409 116.4905 50.5819 39.0713 173.3828 30 P 4.2815 0.0000 0.0000 66.2392 31.2145 178.4861 31 K 3.5965 7.2450 117.3651 59.2687 31.9893 177.1291 32 H 4.6304 7.8914 113.0035 55.6589 28.7769 174.9518 33 K 4.3576 9.0489 124.4804 56.8231 32.6376 176.0569 34 Q 5.0065 8.0494 126.1726 54.4847 32.1771 175.7320 35 R 3.9412 8.1540 115.8950 55.5188 32.9670 173.3220 36 Q 4.7629 8.5023 129.5148 56.0827 29.6149 176.3588 37 G 3.8457 8.4154 112.8695 47.1651 0.0000 172.8297 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 4.45 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.22 4.22 0.00 1.73 1.83 0.00 2.21 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.26 7.81 3 V 7.24 5.00 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 1.04 0.00 0.00 0.86 0.00 0.00 4 R 7.86 4.37 0.00 1.85 1.94 0.00 2.99 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 5 A 8.92 3.86 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.52 0.00 3.81 3.78 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 0.00 0.00 0.00 7 V 8.20 4.35 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 0.95 0.00 0.00 0.93 0.00 0.00 8 K 7.87 4.74 0.00 1.90 1.63 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.38 7.81 9 R 8.40 4.10 0.00 1.80 1.87 0.00 3.20 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 1.81 1.66 0.00 10 I 8.31 3.98 1.59 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 0.69 0.00 0.00 11 C 7.46 4.92 0.00 3.09 3.07 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 0.00 0.00 0.00 0.00 12 D 8.60 4.42 0.00 2.81 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 13 K 7.89 4.23 0.00 1.79 1.91 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.47 7.81 14 C 8.06 4.61 0.00 3.00 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 15 K 9.10 4.56 0.00 1.69 1.69 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.36 7.81 16 V 8.28 4.58 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 0.83 0.00 0.00 0.95 0.00 0.00 17 I 8.00 4.17 1.87 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 1.11 0.80 0.80 0.00 0.00 18 R 8.43 5.04 0.00 1.77 1.79 0.00 3.19 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 19 R 7.99 4.47 0.00 1.84 1.70 0.00 2.65 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.98 0.00 20 H 9.33 3.79 0.00 3.41 3.46 0.00 5.91 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.25 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.56 4.64 0.00 2.23 2.09 0.00 3.31 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 23 V 8.26 4.47 2.26 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 1.12 0.00 0.00 0.98 0.00 0.00 24 Y 8.79 5.21 0.00 2.87 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 25 V 8.18 4.63 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 1.04 0.00 0.00 1.01 0.00 0.00 26 I 8.51 4.63 1.90 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 1.17 0.58 0.94 0.00 0.00 27 C 8.12 4.89 0.00 2.98 2.81 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 0.00 0.00 0.00 28 E 8.97 4.04 0.00 1.97 1.95 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 2.28 2.29 0.00 29 N 7.84 4.78 0.00 2.93 2.87 0.00 0.00 5.86 7.76 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 30 P 0.00 4.28 0.00 2.23 2.37 0.00 3.71 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 2.06 2.01 0.00 31 K 7.25 3.60 0.00 1.74 1.98 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.45 7.81 32 H 7.89 4.63 0.00 3.10 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.05 4.36 0.00 1.96 1.73 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.46 7.81 34 Q 8.05 5.01 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.62 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 35 R 8.15 3.94 0.00 1.31 1.45 0.00 2.77 0.00 0.00 2.76 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.50 0.00 36 Q 8.50 4.76 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 37 G 8.42 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00