NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6354 8.1476 120.6128 55.6590 34.1090 173.8521 2 Q 4.9333 8.3595 121.2871 52.9130 32.9846 171.7065 3 I 5.1834 9.3173 113.6582 59.6879 42.2409 174.8749 4 F 5.3302 9.4459 120.5631 55.7766 43.1763 174.7041 5 V 4.7556 8.8893 120.8294 61.2079 35.0999 173.7007 6 K 5.0957 8.6468 129.4892 54.4933 34.2802 175.9828 7 T 4.4184 8.7014 118.2928 61.1622 69.4997 174.6534 8 L 4.1794 8.3439 121.9547 58.1301 41.9784 179.2313 9 T 3.9393 7.8803 114.7401 67.0169 68.4770 173.8456 10 G 3.2908 7.6234 109.9492 44.6958 0.0000 173.0604 11 K 4.2166 7.9277 123.6132 56.2045 33.6391 175.5456 12 T 4.9153 8.4472 123.8588 62.1912 69.8675 174.3764 13 I 4.3524 8.9356 128.1123 60.8171 39.3635 175.1325 14 T 4.5954 8.1125 119.5404 61.8360 71.9168 173.3485 15 L 4.7289 8.8429 124.6829 52.9246 46.7799 175.3181 16 E 4.7618 8.7289 121.6182 54.8363 30.7838 174.7644 17 V 4.7222 7.9347 119.0773 59.6441 36.2765 174.4437 18 E 4.7762 9.2390 120.4366 54.4996 32.5567 178.1338 19 S 4.1910 8.8013 116.4157 61.3223 62.9650 176.3259 20 S 4.6376 7.7966 113.6105 58.3874 63.8356 174.0962 21 D 4.5492 7.8929 121.1621 54.4216 41.2949 175.6761 22 T 4.9925 8.0060 111.4888 60.4871 72.1080 175.8281 23 I 3.6850 8.3930 123.0163 64.6484 37.0993 178.1338 24 D 4.3665 8.0224 118.3575 57.5083 40.7531 178.2801 25 N 4.2895 7.7389 115.2084 56.2759 38.8138 177.0345 26 V 3.7105 7.9338 119.7554 66.1764 31.4670 177.7917 27 K 4.0556 8.0030 119.2540 59.0339 31.8302 178.9597 28 S 4.3083 7.7371 110.1081 60.2905 62.5477 175.4348 29 K 4.2095 8.1859 121.1382 59.0543 32.0526 178.7302 30 I 3.6902 7.3477 118.9131 64.4981 36.6976 177.9427 31 Q 3.9384 8.0473 119.2693 58.5075 28.6463 177.2346 32 D 4.3813 7.9288 117.9824 56.1734 41.3134 177.2866 33 K 4.3603 7.9281 117.9270 57.6084 33.2453 177.0781 34 E 4.5030 8.1098 113.6395 55.1679 31.6558 176.6951 35 G 3.9410 8.4019 106.1021 45.6721 0.0000 173.3475 36 I 3.7521 7.4521 120.9581 60.2646 37.5238 174.0490 37 P 4.3909 0.0000 0.0000 61.7960 31.6446 175.4872 38 P 4.3971 0.0000 0.0000 64.4553 31.3455 176.2883 39 D 4.5945 7.9257 117.3816 55.2076 41.8912 176.6065 40 Q 4.2990 8.2072 117.8006 57.3022 29.9288 175.5234 41 Q 4.9918 7.7412 115.2884 55.2334 31.0732 175.0768 42 R 4.9379 8.9768 118.8700 54.4980 34.7140 174.3753 43 L 5.2886 8.3484 119.2760 53.1942 45.6966 175.6599 44 I 5.1388 8.4065 121.3616 59.7604 41.1085 174.2808 45 F 5.1767 8.9472 127.7136 57.0300 43.4340 173.5720 46 A 3.5774 9.0400 124.0445 52.8797 15.9852 177.0063 47 G 3.9289 8.2397 103.3333 48.0516 0.0000 174.3364 48 K 4.4367 7.8996 119.3148 53.8480 35.0490 174.7001 49 Q 4.3365 8.5395 126.9311 55.2885 29.2481 175.1659 50 L 3.9826 8.2970 128.1034 54.5812 42.4966 176.8081 51 E 4.3544 9.0624 124.8782 55.4453 31.0305 177.0133 52 D 4.4018 9.0378 125.9075 57.5946 41.0646 178.5241 53 G 3.8745 7.9799 104.5360 46.3746 0.0000 173.7247 54 R 4.2287 7.9204 119.9623 55.9177 30.9673 175.6323 55 T 5.4911 7.7998 108.7005 59.0661 71.4238 175.7803 56 L 4.0999 8.5414 121.2169 58.0156 41.8872 180.1732 57 S 4.2196 8.1432 113.1655 61.1042 63.0612 175.9703 58 D 4.1553 7.8257 120.4003 56.8768 40.9081 176.3236 59 Y 4.6290 7.4161 111.1159 57.1568 37.9412 175.0785 60 N 4.3074 8.1919 115.3386 53.9319 36.8252 174.4973 61 I 3.7280 7.7639 118.5508 62.2756 37.2145 176.1336 62 Q 4.5919 8.3125 124.0117 53.4463 30.8468 175.1554 63 K 4.2088 8.3625 118.0672 58.3660 32.8756 176.0840 64 E 4.2507 9.0771 118.5551 57.4926 27.9505 175.2717 65 S 4.2618 7.6066 113.4277 59.2128 64.0938 173.7043 66 T 4.5144 8.2286 113.4941 60.0591 68.4160 173.4263 67 L 4.5484 8.7874 131.8809 54.8083 44.6316 174.5561 68 H 5.6373 8.7271 115.9861 54.0830 32.6727 173.1376 69 L 5.2425 8.5991 120.4687 54.0448 43.3248 176.2795 70 V 4.3365 8.6635 120.3653 61.1812 34.3497 174.2648 71 L 4.8712 8.5647 128.8180 54.2243 41.9981 177.6878 72 R 4.2899 9.0343 120.7671 57.7357 29.8737 175.7980 73 L 4.8808 7.6049 119.5199 53.5160 43.7725 177.0876 74 R 3.6870 8.5297 114.6226 57.6612 29.2375 176.2502 75 G 3.3579 8.4462 107.7883 44.2030 0.0000 174.1644 76 G 4.1199 8.0459 114.2265 45.9745 0.0000 173.4213 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 8.15 4.64 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.65 0.00 2 Q 8.36 4.93 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 3 I 9.32 5.18 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.94 0.00 0.00 4 F 9.45 5.33 0.00 2.93 2.97 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 5 V 8.89 4.76 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 0.74 0.00 0.00 0.91 0.00 0.00 6 K 8.65 5.10 0.00 1.75 1.06 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.39 7.81 7 T 8.70 4.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 8 L 8.34 4.18 0.00 1.67 1.79 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 3.94 4.24 0.00 0.00 0.00 0.00 0.00 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 10 G 7.62 3.29 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 0.00 11 K 7.93 4.22 0.00 1.90 1.68 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.25 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.50 1.53 7.81 12 T 8.45 4.92 4.30 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 1.34 0.00 0.00 13 I 8.94 4.35 1.89 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 1.35 0.90 0.87 0.00 0.00 14 T 8.11 4.60 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 0.06 0.00 0.00 15 L 8.84 4.73 0.00 1.40 1.42 0.88 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.73 4.76 0.00 1.87 1.80 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 2.14 2.38 0.00 17 V 7.93 4.72 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.91 0.00 0.00 18 E 9.24 4.78 0.00 1.86 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 2.21 2.24 0.00 19 S 8.80 4.19 0.00 3.89 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 20 S 7.80 4.64 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.55 0.00 2.89 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 4.99 4.48 0.00 0.00 0.00 0.00 0.00 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 23 I 8.39 3.68 2.22 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.36 0.99 0.00 0.00 24 D 8.02 4.37 0.00 2.94 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.74 4.29 0.00 3.02 2.86 0.00 0.00 7.01 6.96 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 26 V 7.93 3.71 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 1.05 0.00 0.00 0.99 0.00 0.00 27 K 8.00 4.06 0.00 2.02 1.87 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.49 7.81 28 S 7.74 4.31 0.00 3.99 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 29 K 8.19 4.21 0.00 1.89 1.79 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.59 7.81 30 I 7.35 3.69 2.01 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 1.39 0.51 0.90 0.00 0.00 31 Q 8.05 3.94 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 32 D 7.93 4.38 0.00 2.69 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 33 K 7.93 4.36 0.00 1.72 1.80 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.55 7.81 34 E 8.11 4.50 0.00 1.88 1.92 0.00 0.00 0.00 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 2.20 0.00 35 G 8.40 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 0.00 0.00 0.00 36 I 7.45 3.75 1.86 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 1.47 0.57 0.91 0.00 0.00 37 P 0.00 4.39 0.00 2.21 2.19 0.00 3.70 0.00 0.00 3.92 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 38 P 0.00 4.40 0.00 2.20 2.19 0.00 3.75 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 1.99 1.95 0.00 39 D 7.93 4.59 0.00 2.64 2.72 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 0.00 0.00 0.00 0.00 40 Q 8.21 4.30 0.00 2.36 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 41 Q 7.74 4.99 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.86 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 42 R 8.98 4.94 0.00 1.84 1.81 0.00 3.06 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.35 5.29 0.00 1.52 1.49 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.41 5.14 1.89 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 1.12 1.63 0.95 0.00 0.00 45 F 8.95 5.18 0.00 2.88 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.04 3.58 0.82 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 0.00 0.00 0.00 0.00 0.00 47 G 8.24 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.90 4.44 0.00 1.76 1.58 0.00 1.56 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 49 Q 8.54 4.34 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 50 L 8.30 3.98 0.00 1.46 1.31 0.76 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.06 4.35 0.00 2.20 1.94 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 2.33 2.33 0.00 52 D 9.04 4.40 0.00 2.77 2.73 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 53 G 7.98 3.87 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 0.00 0.00 0.00 54 R 7.92 4.23 0.00 2.20 1.90 0.00 3.34 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.93 0.00 55 T 7.80 5.49 4.44 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 L 8.54 4.10 0.00 1.91 1.80 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.14 4.22 0.00 4.03 4.21 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 58 D 7.83 4.16 0.00 2.46 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 7.42 4.63 0.00 3.29 3.16 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 0.00 0.00 0.00 0.00 60 N 8.19 4.31 0.00 2.99 2.96 0.00 0.00 6.92 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.76 3.73 1.94 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.84 0.85 0.00 0.00 62 Q 8.31 4.59 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.99 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 63 K 8.36 4.21 0.00 1.89 1.84 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.44 7.81 64 E 9.08 4.25 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 65 S 7.61 4.26 0.00 3.68 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.23 4.51 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 67 L 8.79 4.55 0.00 1.63 1.59 -0.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.73 5.64 0.00 3.03 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.60 5.24 0.00 1.61 1.60 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.66 4.34 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.56 4.87 0.00 1.57 1.74 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.03 4.29 0.00 1.80 2.06 0.00 3.17 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 73 L 7.60 4.88 0.00 1.78 1.77 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.53 3.69 0.00 1.94 2.11 0.00 3.02 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 75 G 8.45 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.05 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00