NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3466 8.3044 120.3298 55.0492 33.1633 173.9923 2 K 3.8307 8.6747 123.7102 57.1166 32.0555 175.7408 3 R 4.5006 8.6402 126.5148 54.7983 32.1679 175.1877 4 T 3.9073 8.1298 120.1508 61.6161 67.2733 172.2639 5 F 4.5607 7.9878 122.5112 54.9190 44.6013 172.9282 6 Q 3.4264 9.2606 135.0000 55.6968 27.4357 170.5524 7 P 4.5701 0.0000 0.0000 62.2448 32.6463 176.8854 8 S 4.6368 8.3616 107.9929 57.7260 63.3606 177.3277 9 V 3.3528 7.6315 127.5327 66.5059 32.0396 177.6258 10 L 4.0185 8.1315 120.6900 58.3381 41.9171 178.1192 11 K 4.4289 7.9717 116.9185 56.9090 32.0072 177.0454 12 R 4.5537 7.9262 115.2497 55.9286 32.8025 174.4183 13 N 5.1204 8.3463 113.7408 51.9932 39.0073 175.9588 14 R 3.9033 9.6510 115.3412 59.4793 30.6114 176.3480 15 S 4.2285 8.0900 111.0780 60.9239 62.8707 173.1282 16 H 4.3903 9.1793 117.2658 56.2054 33.7292 174.5616 17 G 3.7032 9.1498 112.5558 46.3025 0.0000 172.4290 18 F 4.0237 8.6283 119.5540 58.8117 37.1014 175.9405 19 R 4.2226 8.3887 118.2852 57.9506 30.4090 178.4480 20 A 3.9912 8.3254 122.1106 55.1515 18.4398 179.4151 21 R 3.9818 8.1631 113.8753 59.8353 30.1274 176.9959 22 M 4.4283 8.2046 115.8881 55.6693 31.5712 176.4749 23 A 4.7554 7.8450 119.0814 51.5987 20.2206 177.6272 24 T 4.6899 7.5708 106.6409 58.9950 73.0080 174.3571 25 K 3.9718 8.8143 124.5695 59.9075 32.2131 178.9587 26 N 4.4268 8.1822 116.4850 55.8771 37.2752 176.8952 27 G 3.9633 8.0644 109.4847 46.9142 0.0000 175.3714 28 R 3.9894 9.0262 122.2931 58.3846 30.1404 178.6175 29 Q 4.0539 7.8382 117.9252 58.8176 28.6358 178.2347 30 V 3.5801 8.2259 119.7301 66.2787 31.3710 177.8407 31 L 3.9590 7.4185 117.9879 58.4767 41.2831 178.7961 32 A 4.0397 7.7201 119.4471 54.9753 18.5305 179.3647 33 R 3.8461 8.3058 112.9385 59.6401 29.1378 178.7277 34 R 3.9942 8.0593 118.9091 59.7346 30.5340 177.8821 35 R 3.8674 9.2308 119.3935 58.6474 29.7820 178.2319 36 A 3.6154 8.0105 121.8609 56.2768 19.3927 177.3307 37 K 3.7648 7.6464 122.2883 56.9475 32.3133 175.8994 38 G 3.6815 8.3372 115.5284 44.5782 0.0000 170.0148 39 R 4.4343 8.2333 118.6748 56.4706 30.4920 175.7970 40 A 4.7896 8.2727 125.6441 50.2156 21.1217 176.8402 41 R 3.8695 8.6129 120.8246 57.0341 30.4623 178.0419 42 L 3.6081 7.6950 119.4147 55.2531 42.1113 171.6059 43 T 4.0809 8.7549 114.7197 62.3635 72.9160 177.8558 44 V 2.7872 8.3871 109.0811 61.7341 32.3697 176.3447 45 S 4.6375 9.1029 122.0660 59.1840 64.1827 174.1987 46 K 4.1774 8.6035 123.7910 56.6863 32.3196 175.7440 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 4.35 0.00 2.03 2.12 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 2.51 2.49 0.00 2 K 8.67 3.83 0.00 1.78 1.75 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.61 7.81 3 R 8.64 4.50 0.00 2.03 2.30 0.00 3.52 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 4 T 8.13 3.91 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 5 F 7.99 4.56 0.00 3.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.26 3.43 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.04 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 7 P 0.00 4.57 0.00 2.22 2.04 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 S 8.36 4.64 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.63 3.35 2.16 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 1.21 0.00 0.00 0.99 0.00 0.00 10 L 8.13 4.02 0.00 1.68 1.75 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.97 4.43 0.00 1.87 1.77 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.36 7.81 12 R 7.93 4.55 0.00 1.43 0.66 0.00 3.04 0.00 0.00 2.65 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.34 0.00 13 N 8.35 5.12 0.00 3.38 2.34 0.00 0.00 7.29 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 R 9.65 3.90 0.00 1.84 1.99 0.00 3.47 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 15 S 8.09 4.23 0.00 3.87 3.86 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 16 H 9.18 4.39 0.00 3.12 3.01 0.00 5.98 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 17 G 9.15 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.63 4.02 0.00 3.15 3.10 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 19 R 8.39 4.22 0.00 2.01 2.09 0.00 2.85 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 20 A 8.33 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 3.98 0.00 1.83 2.21 0.00 3.38 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 22 M 8.20 4.43 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 23 A 7.84 4.76 1.31 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 0.00 0.00 0.00 24 T 7.57 4.69 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 1.22 0.00 0.00 25 K 8.81 3.97 0.00 1.86 1.94 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.61 7.81 26 N 8.18 4.43 0.00 2.92 3.07 0.00 0.00 6.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.06 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 0.00 0.00 0.00 28 R 9.03 3.99 0.00 1.86 1.94 0.00 3.10 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 29 Q 7.84 4.05 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.47 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 30 V 8.23 3.58 2.30 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 1.13 0.00 0.00 0.96 0.00 0.00 31 L 7.42 3.96 0.00 1.84 1.72 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.72 4.04 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 3.85 0.00 2.09 2.24 0.00 2.78 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 34 R 8.06 3.99 0.00 1.95 2.13 0.00 3.28 0.00 0.00 3.16 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 35 R 9.23 3.87 0.00 1.92 1.88 0.00 3.31 0.00 0.00 3.17 8.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 36 A 8.01 3.62 1.31 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 0.00 0.00 0.00 37 K 7.65 3.76 0.00 2.07 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.40 7.81 38 G 8.34 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.23 4.43 0.00 1.81 1.96 0.00 3.23 0.00 0.00 3.89 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 40 A 8.27 4.79 1.30 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 0.00 0.00 0.00 41 R 8.61 3.87 0.00 1.80 2.01 0.00 3.42 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 42 L 7.70 3.61 0.00 1.75 1.67 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.75 4.08 4.26 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 0.00 0.00 1.24 0.00 0.00 44 V 8.39 2.79 2.19 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 0.78 0.00 0.00 0.96 0.00 0.00 45 S 9.10 4.64 0.00 3.70 3.20 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 46 K 8.60 4.18 0.00 1.73 1.71 0.00 1.84 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.43 7.81