NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2408 8.2649 123.5797 51.1327 18.8361 176.0463 7 P 4.0548 0.0000 0.0000 61.8866 31.5189 175.1266 8 D 4.6515 9.4925 124.3060 51.9386 41.9177 176.7679 9 F 3.7562 8.9013 120.5124 62.2115 39.0676 176.9105 10 H 4.4763 7.8807 114.0368 58.8444 28.1906 177.7143 11 D 4.3006 8.1932 120.5814 57.2926 40.8243 178.5825 12 K 3.9121 7.5680 117.0767 58.9079 33.0600 177.5071 13 Y 4.8911 7.7284 116.4457 57.9751 39.3831 177.4929 14 G 4.0186 7.9672 106.7730 48.6410 0.0000 175.1532 15 N 4.4475 8.2740 118.1631 55.5863 38.6479 177.3246 16 A 3.9746 7.9736 121.5273 55.1208 18.8474 179.3105 17 V 3.5562 8.1435 116.8664 66.9728 31.4477 177.4466 18 L 4.0441 8.7544 120.1921 57.3636 41.8393 178.3035 19 A 4.0072 8.5515 120.1364 55.9078 18.5168 179.4412 20 S 4.1997 8.8389 113.7475 61.6212 62.8535 176.8517 21 G 3.8612 8.2260 107.2098 48.1978 0.0000 175.0927 22 A 4.0886 8.7541 123.5367 55.3484 18.3752 179.7838 23 T 3.9029 8.1870 114.2200 66.6997 68.6693 176.5863 24 F 4.1411 8.5856 122.5693 62.5137 39.1870 176.2899 25 C 4.3239 8.3952 118.4585 61.7297 31.3172 175.4397 26 V 3.6298 8.0505 120.0500 65.6843 30.8692 177.5323 27 A 4.0610 8.3073 121.7168 54.1811 18.1097 179.2629 28 V 3.3765 7.8937 114.5924 65.7783 31.7075 178.9932 29 W 3.9998 8.5265 118.5621 59.6907 29.0225 178.6338 30 V 3.6818 8.0205 118.3035 66.2381 30.9652 177.4600 31 Y 4.0284 8.3086 119.3022 60.7517 38.4109 177.6282 32 M 3.9072 8.1570 117.8302 58.7478 32.5249 177.9830 33 A 4.7527 8.5061 119.7644 54.3099 18.5210 178.1761 34 T 4.4669 7.6061 106.0344 63.6369 70.2159 176.1681 35 Q 4.0794 7.8035 117.1953 55.5218 28.4752 175.2162 36 I 4.5719 7.1913 112.4269 58.8257 40.6434 175.9537 37 G 3.7305 8.5565 108.0330 47.1481 0.0000 173.8811 38 I 3.1472 6.7671 119.5033 61.9768 37.2590 175.1292 39 E 4.3901 8.1629 126.3828 54.1869 29.0919 175.3860 40 W 4.1962 8.6973 125.6988 57.1560 30.0932 175.9832 41 N 4.0726 8.0459 116.6337 53.8366 36.9524 170.4580 42 P 4.5649 0.0000 0.0000 62.2268 32.9089 176.0439 43 S 4.3348 8.3384 113.2975 57.3655 62.9572 172.3931 44 P 4.3712 0.0000 0.0000 65.1255 31.9010 176.8632 45 V 3.7602 7.7170 119.6292 63.1773 31.2611 177.0295 46 G 4.0556 9.0640 113.1999 45.2708 0.0000 173.0140 47 R 4.3134 7.2426 115.7394 57.5602 31.6613 175.8044 48 V 3.9643 7.9525 117.3330 61.7679 32.2472 175.4329 49 T 4.2732 8.3969 118.1837 59.7047 68.9886 172.7763 50 P 4.3942 0.0000 0.0000 62.5643 31.9040 175.6750 51 K 4.5655 8.3411 120.2344 53.9658 34.5546 175.5193 52 E 3.9292 8.9425 124.0016 56.6378 29.5981 176.7627 53 W 4.3510 8.6259 123.3724 57.0596 29.1942 176.2241 54 R 3.7359 7.1227 123.7996 56.2417 31.0196 175.2127 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 6 A 8.26 4.24 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.05 0.00 2.05 1.97 0.00 3.64 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 1.99 2.09 0.00 8 D 9.49 4.65 0.00 2.85 2.80 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 0.00 0.00 0.00 9 F 8.90 3.76 0.00 3.13 2.96 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 10 H 7.88 4.48 0.00 3.45 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.19 4.30 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.57 3.91 0.00 1.23 1.54 0.00 0.83 0.00 0.00 0.84 0.00 0.00 2.75 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.99 0.21 7.81 13 Y 7.73 4.89 0.00 2.39 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 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 0.00 0.00 0.00 0.00 15 N 8.27 4.45 0.00 2.76 2.92 0.00 0.00 6.83 7.08 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 16 A 7.97 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 3.56 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.17 0.00 0.00 18 L 8.75 4.04 0.00 1.86 1.77 0.95 1.14 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 19 A 8.55 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.84 4.20 0.00 3.84 3.89 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 21 G 8.23 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 0.00 0.00 0.00 22 A 8.75 4.09 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.19 3.90 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 24 F 8.59 4.14 0.00 3.13 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.40 4.32 0.00 3.33 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.05 3.63 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 0.86 0.00 0.00 0.96 0.00 0.00 27 A 8.31 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.38 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.07 0.00 0.00 29 W 8.53 4.00 0.00 3.54 3.31 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 30 V 8.02 3.68 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.97 0.00 0.00 31 Y 8.31 4.03 0.00 3.04 3.04 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 0.00 0.00 0.00 0.00 32 M 8.16 3.91 0.00 2.08 1.97 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 33 A 8.51 4.75 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.61 4.47 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 35 Q 7.80 4.08 0.00 0.93 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 36 I 7.19 4.57 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.68 0.00 0.00 37 G 8.56 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 6.77 3.15 1.67 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 0.88 0.39 -0.46 0.00 0.00 39 E 8.16 4.39 0.00 1.81 1.79 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 2.18 2.21 0.00 40 W 8.70 4.20 0.00 3.30 3.26 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 0.00 41 N 8.05 4.07 0.00 3.02 2.81 0.00 0.00 7.16 7.08 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 42 P 0.00 4.56 0.00 2.24 2.12 0.00 3.89 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 43 S 8.34 4.33 0.00 3.86 3.81 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 44 P 0.00 4.37 0.00 2.26 2.30 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 45 V 7.72 3.76 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 46 G 9.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.24 4.31 0.00 1.82 2.06 0.00 3.27 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 48 V 7.95 3.96 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.40 4.27 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 1.22 0.00 0.00 50 P 0.00 4.39 0.00 2.26 2.14 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 51 K 8.34 4.57 0.00 1.78 1.78 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.41 7.81 52 E 8.94 3.93 0.00 1.87 1.85 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 2.16 2.23 0.00 53 W 8.63 4.35 0.00 3.74 3.25 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 54 R 7.12 3.74 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.42 0.00