NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2167 8.2644 123.5812 52.6006 19.8254 176.5117 3 R 4.1211 7.8414 117.5326 55.5533 30.4007 172.7875 4 R 4.2810 8.1442 124.0764 56.3157 32.1211 176.2216 5 T 4.6748 8.0814 108.2371 59.9364 72.6915 172.8433 6 W 4.1744 9.1803 128.0547 61.4753 30.5254 177.3741 7 L 3.2609 8.4982 118.6840 58.2429 41.5368 179.6193 8 G 3.6874 7.8756 104.1930 48.0215 0.0000 175.1153 9 D 4.4087 8.3800 121.5751 57.2752 40.7303 178.7491 10 I 3.6131 6.9532 118.5617 63.9780 36.9575 177.4439 11 L 4.3312 7.5969 117.6048 54.8386 41.7839 178.2554 12 R 3.7313 7.8928 119.8397 58.9600 29.9638 175.3835 13 P 4.3234 0.0000 0.0000 65.7941 31.5364 178.2215 14 L 3.7194 7.0520 119.3146 56.1818 41.6573 176.8375 15 N 4.8564 7.3009 116.4207 51.8465 39.3900 171.7071 16 S 4.7069 7.9765 121.1422 59.1419 68.4143 177.8111 17 E 4.5853 8.6310 119.6044 58.4712 30.7759 177.8440 18 Y 4.0170 8.9155 114.7072 58.8218 39.2849 177.9957 19 G 3.2061 8.7301 109.3582 46.6755 0.0000 173.9587 20 K 3.7759 7.5180 121.6331 55.1986 31.6338 181.7218 21 V 4.4780 7.9704 116.6656 58.1606 34.8773 175.6942 22 A 4.3247 8.2221 124.7272 51.0658 19.2689 175.4333 23 P 4.6469 0.0000 0.0000 62.6883 33.7093 176.6237 24 G 4.0534 8.2501 108.3773 47.3536 0.0000 174.0929 25 W 4.2887 9.5041 123.4212 58.4074 30.2621 178.1421 26 G 3.9305 7.1294 106.6504 44.9537 0.0000 178.7353 27 T 4.2810 8.6934 119.7905 63.0249 68.8588 175.8897 28 T 3.7419 7.6839 118.9385 66.3932 68.2406 173.3752 29 P 4.3616 0.0000 0.0000 66.3695 31.5088 177.7676 30 L 4.1906 8.0029 119.4043 57.9454 42.0957 178.4422 31 M 4.1212 8.1945 117.9974 58.6159 32.4610 177.7829 32 A 4.2403 8.5918 120.2571 53.9430 18.3742 179.0732 33 V 3.9227 7.6191 116.4626 65.1364 32.0997 177.8972 34 F 3.9915 8.3594 117.0517 60.5343 38.7896 176.9482 35 M 4.3190 8.4433 118.1171 59.0010 32.1742 178.7066 36 G 3.7063 7.8076 104.1881 47.5379 0.0000 175.7882 37 L 4.0991 8.2297 121.6753 57.5947 41.6436 179.1734 38 F 4.7010 9.2731 121.4354 61.4364 39.5197 176.6656 39 L 3.8265 8.2219 119.9965 58.4507 41.9371 179.2676 40 V 3.6581 7.8171 117.4874 65.6101 31.4481 177.7357 41 F 4.3786 8.5107 120.7689 61.3542 39.3017 177.0531 42 L 3.2937 7.8925 118.8018 57.6483 41.3255 179.1308 43 L 4.0233 7.5685 119.5918 58.4546 41.7523 179.0712 44 I 3.7693 7.5798 119.6355 64.2158 37.1915 178.3037 45 I 3.6954 7.7797 113.9081 64.0966 37.1543 177.6467 46 L 3.9260 8.3962 122.7152 57.9870 42.0148 178.5879 47 E 4.0265 8.6407 118.8458 59.0436 29.5561 179.5875 48 I 4.0911 7.7725 121.7228 63.6291 37.1007 177.5502 49 Y 4.0930 7.7022 119.1300 60.3092 38.6775 176.4174 50 N 4.6624 8.2049 115.3237 52.7342 39.0375 174.4680 51 S 3.8073 7.5870 112.5566 60.2269 61.2419 173.5618 52 T 4.1458 8.0270 118.2231 64.3760 69.1450 174.7612 53 L 4.5424 7.5905 122.7486 52.9660 42.4680 174.8550 54 I 4.2388 7.9349 125.5520 60.4708 38.3058 176.6307 55 L 4.4260 8.0615 122.9695 53.0576 43.6198 175.1531 56 D 4.4524 8.7079 123.1888 55.6070 41.2068 176.3512 57 G 3.9741 8.8629 114.8517 45.4876 0.0000 173.8649 58 V 4.0034 8.3458 120.8855 59.8534 31.5172 175.2212 59 N 4.6850 8.3336 124.7759 51.6411 39.2782 175.7000 60 V 3.8887 7.9037 123.3366 60.6197 29.7035 174.6130 61 S 4.5494 7.1339 115.5887 56.3400 67.7584 174.5792 62 W 4.6788 8.8089 120.6505 60.3142 29.8156 179.3158 63 K 4.3562 7.9271 114.9005 53.6737 30.7364 180.7788 64 A 3.2163 8.9921 127.4055 54.6346 17.8441 178.4567 65 L 4.3913 8.6601 118.2510 53.4048 40.0996 177.5311 66 G 3.7824 7.5849 111.5504 46.5123 0.0000 172.8489 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 2 A 8.26 4.22 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 3 R 7.84 4.12 0.00 1.82 1.82 0.00 3.25 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 4 R 8.14 4.28 0.00 1.85 2.00 0.00 3.51 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 5 T 8.08 4.67 4.33 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 1.27 0.00 0.00 6 W 9.18 4.17 0.00 3.42 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 7 L 8.50 3.26 0.00 2.04 1.73 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.88 3.69 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 0.00 0.00 0.00 9 D 8.38 4.41 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 10 I 6.95 3.61 1.51 0.00 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 -0.02 0.64 0.00 0.00 11 L 7.60 4.33 0.00 1.62 1.62 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.89 3.73 0.00 1.78 2.19 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 13 P 0.00 4.32 0.00 2.22 2.25 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 14 L 7.05 3.72 0.00 1.77 1.79 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.30 4.86 0.00 2.56 2.67 0.00 0.00 7.06 7.50 0.00 0.00 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 S 7.98 4.71 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.63 4.59 0.00 2.00 2.02 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 2.32 2.30 0.00 18 Y 8.92 4.02 0.00 2.92 2.35 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.73 3.21 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 0.00 0.00 0.00 20 K 7.52 3.78 0.00 1.83 1.68 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.31 7.81 21 V 7.97 4.48 2.02 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 0.86 0.00 0.00 0.88 0.00 0.00 22 A 8.22 4.32 1.22 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 23 P 0.00 4.65 0.00 2.24 2.17 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 24 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 25 W 9.50 4.29 0.00 3.45 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 26 G 7.13 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 27 T 8.69 4.28 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 1.23 0.00 0.00 28 T 7.68 3.74 4.65 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 0.00 0.00 0.00 1.43 0.00 0.00 29 P 0.00 4.36 0.00 2.28 2.29 0.00 4.03 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 30 L 8.00 4.19 0.00 1.88 1.96 1.21 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 31 M 8.19 4.12 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 32 A 8.59 4.24 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 33 V 7.62 3.92 2.20 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 0.97 0.00 0.00 1.01 0.00 0.00 34 F 8.36 3.99 0.00 3.15 3.11 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 0.00 0.00 0.00 0.00 35 M 8.44 4.32 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.69 0.00 36 G 7.81 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.23 4.10 0.00 1.90 1.79 0.70 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 38 F 9.27 4.70 0.00 3.19 3.38 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 39 L 8.22 3.83 0.00 1.96 1.92 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 V 7.82 3.66 2.28 0.00 0.00 0.00 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 1.04 0.00 0.00 41 F 8.51 4.38 0.00 3.11 3.34 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 42 L 7.89 3.29 0.00 1.34 1.34 0.24 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.57 4.02 0.00 1.73 1.82 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.58 3.77 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.68 0.96 0.00 0.00 45 I 7.78 3.70 1.82 0.00 0.00 0.58 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 0.57 0.84 0.00 0.00 46 L 8.40 3.93 0.00 1.66 1.85 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.64 4.03 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 48 I 7.77 4.09 2.01 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 1.53 1.71 0.87 0.00 0.00 49 Y 7.70 4.09 0.00 3.11 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 50 N 8.20 4.66 0.00 2.75 2.79 0.00 0.00 7.35 7.25 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 51 S 7.59 3.81 0.00 4.08 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 52 T 8.03 4.15 4.35 0.00 0.00 0.00 0.00 0.00 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 53 L 7.59 4.54 0.00 1.63 1.66 0.93 1.06 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 54 I 7.93 4.24 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 1.41 0.94 0.91 0.00 0.00 55 L 8.06 4.43 0.00 1.64 1.55 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.71 4.45 0.00 2.64 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 57 G 8.86 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 0.00 0.00 0.00 58 V 8.35 4.00 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 0.75 0.00 0.00 0.89 0.00 0.00 59 N 8.33 4.68 0.00 2.65 2.76 0.00 0.00 7.27 7.71 0.00 0.00 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 V 7.90 3.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.95 0.00 0.00 61 S 7.13 4.55 0.00 3.80 3.76 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 0.00 0.00 0.00 0.00 62 W 8.81 4.68 0.00 3.30 3.22 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 63 K 7.93 4.36 0.00 1.82 1.31 0.00 1.88 0.00 0.00 1.89 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.45 7.81 64 A 8.99 3.22 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 65 L 8.66 4.39 0.00 1.60 1.72 1.07 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.58 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 0.00 0.00 0.00