NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4904 8.3049 118.1954 54.7734 33.2573 176.3440 2 K 3.7831 8.1331 118.4450 56.4392 33.0112 171.4277 3 V 3.2465 8.1062 118.3782 63.4916 30.2813 173.1472 4 R 3.9575 7.9178 116.1645 58.0181 31.0186 176.2819 5 A 4.3861 7.4726 121.0474 52.3822 16.9377 178.7867 6 S 4.4047 7.8489 110.0216 58.3413 63.1338 174.9156 7 V 4.4264 7.0333 118.7181 60.8245 34.2094 172.8864 8 K 3.9788 8.5818 124.5719 55.4970 32.0262 176.2602 9 K 3.9709 8.5658 122.3138 58.4507 32.3874 178.4951 10 L 3.7537 7.8717 114.8709 56.3898 42.0499 173.2838 11 C 4.6455 8.0628 116.9240 57.4663 32.5776 173.0985 12 R 3.9857 8.2721 125.2191 59.3475 30.1506 177.7924 13 N 4.7251 7.6428 115.5724 53.1058 38.0391 174.9642 14 C 4.4846 7.8157 117.1070 60.0872 32.8778 172.1281 15 K 4.3951 8.0431 121.5662 55.7298 34.6670 175.3939 16 I 4.4973 8.1336 123.4338 60.0143 39.9830 175.3859 17 V 3.0742 7.4295 113.9569 64.5217 28.5386 173.3960 18 K 4.8396 8.1171 126.0567 57.6356 32.9593 178.1004 19 R 3.9932 8.0691 114.7490 59.7281 29.9865 177.2891 20 D 4.5011 7.8982 120.3088 52.3829 39.5873 177.3199 21 G 4.0522 8.0382 107.3391 45.8540 0.0000 171.1292 22 V 4.7011 7.5375 111.9861 59.6901 36.5065 173.7564 23 I 4.9875 8.3134 114.5087 59.4856 38.9919 175.4902 24 R 4.9047 8.9286 122.4617 54.4184 32.7190 174.6137 25 V 4.4063 8.7995 118.1791 61.1722 31.7070 175.6931 26 I 4.7444 9.1268 118.7371 59.5021 41.4795 173.8801 27 C 4.7591 8.4933 117.8737 56.7860 31.8135 174.0349 28 S 4.2525 9.3864 115.4566 61.4155 62.5712 176.3346 29 A 4.1495 7.9225 121.7560 54.8362 18.5994 177.6864 30 E 4.8001 7.6401 115.6645 55.0705 30.0636 173.5237 31 P 4.2080 0.0000 0.0000 63.4040 32.4811 179.0196 32 K 3.8912 7.5245 121.2997 60.2348 32.2634 176.6978 33 H 4.6642 8.2667 111.7487 55.7195 28.5428 176.0149 34 K 3.6447 7.5780 119.2286 58.0886 32.7626 176.8307 35 Q 3.9296 8.4531 115.8228 57.5358 26.5532 175.4094 36 R 4.0755 7.4512 113.8672 57.2256 29.6751 177.2106 37 Q 3.7462 7.7490 116.8891 57.6118 29.3049 177.3817 38 G 4.2200 7.9274 110.5442 46.0183 0.0000 173.0594 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 4.49 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 2 K 8.13 3.78 0.00 1.85 1.91 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.49 7.81 3 V 8.11 3.25 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 0.98 0.00 0.00 0.97 0.00 0.00 4 R 7.92 3.96 0.00 1.81 1.94 0.00 3.39 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 5 A 7.47 4.39 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 7.85 4.40 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.03 4.43 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 0.79 0.00 0.00 0.93 0.00 0.00 8 K 8.58 3.98 0.00 1.94 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.41 7.81 9 K 8.57 3.97 0.00 1.83 1.80 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.49 7.81 10 L 7.87 3.75 0.00 1.73 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 11 C 8.06 4.65 0.00 2.93 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 12 R 8.27 3.99 0.00 1.84 1.93 0.00 3.41 0.00 0.00 3.27 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 13 N 7.64 4.73 0.00 2.81 2.90 0.00 0.00 5.96 7.68 0.00 0.00 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 7.82 4.48 0.00 3.20 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.40 0.00 1.78 1.78 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.39 7.81 16 I 8.13 4.50 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.84 0.91 0.00 0.00 17 V 7.43 3.07 2.07 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 0.79 0.00 0.00 0.92 0.00 0.00 18 K 8.12 4.84 0.00 1.73 1.82 0.00 1.55 0.00 0.00 2.41 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.45 7.81 19 R 8.07 3.99 0.00 1.95 2.05 0.00 3.08 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 20 D 7.90 4.50 0.00 2.77 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 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 V 7.54 4.70 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 0.75 0.00 0.00 0.93 0.00 0.00 23 I 8.31 4.99 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 1.40 0.90 0.94 0.00 0.00 24 R 8.93 4.90 0.00 1.81 2.01 0.00 2.76 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 25 V 8.80 4.41 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 0.78 0.00 0.00 1.00 0.00 0.00 26 I 9.13 4.74 1.81 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 1.25 0.95 0.83 0.00 0.00 27 C 8.49 4.76 0.00 3.08 3.03 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 28 S 9.39 4.25 0.00 3.85 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 0.00 29 A 7.92 4.15 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 30 E 7.64 4.80 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 31 P 0.00 4.21 0.00 2.23 2.25 0.00 3.79 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 32 K 7.52 3.89 0.00 1.63 1.95 0.00 1.98 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.59 7.81 33 H 8.27 4.66 0.00 3.32 3.49 0.00 5.55 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.58 3.64 0.00 1.93 2.18 0.00 1.44 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.44 7.81 35 Q 8.45 3.93 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 36 R 7.45 4.08 0.00 1.88 1.94 0.00 3.34 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 37 Q 7.75 3.75 0.00 2.02 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 38 G 7.93 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 0.00 0.00 0.00 0.00