NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 N 4.6652 8.4201 117.7845 51.5722 40.1578 174.3601 22 A 4.1660 7.8133 120.4332 52.5601 19.0489 176.1446 23 T 3.8264 9.9330 121.6952 65.6786 69.5662 173.2014 24 F 5.2131 7.7352 117.1083 55.4451 42.5644 174.0613 25 G 4.3426 9.3918 110.5738 43.2916 0.0000 172.4753 26 M 4.3245 8.5786 118.8552 57.1257 32.1965 177.7308 27 G 4.0110 9.1314 111.3182 45.3957 0.0000 173.6483 28 D 4.4553 7.7997 120.4718 54.5800 42.2626 175.4153 29 R 4.7112 8.4490 122.7839 55.5515 31.6810 175.4477 30 V 4.9642 8.9757 119.2366 59.5493 36.3546 174.5071 31 R 5.1384 8.9087 117.8944 54.0460 33.3711 174.6074 32 K 4.2932 8.5575 119.9350 56.8054 31.9047 177.8539 33 K 4.3148 9.0855 125.0573 59.2435 32.7155 176.9396 34 S 4.5100 7.9869 111.8522 57.7387 66.5685 175.9668 35 G 3.6398 8.4550 108.6800 46.2264 0.0000 174.6253 36 A 4.0748 8.6463 127.0502 52.1287 18.9327 176.8777 37 A 4.6403 8.3136 123.2203 51.3643 20.6384 176.5434 38 W 4.8024 8.3395 126.6861 56.7418 34.4527 173.0230 39 Q 4.8085 7.0715 126.0522 54.1873 32.1616 174.2749 40 G 4.6306 7.6004 111.4020 46.2363 0.0000 170.5944 41 Q 5.0487 7.7590 118.8061 54.1064 31.5733 175.5056 42 I 4.2781 8.5467 124.2027 61.9996 37.8859 176.7575 43 V 4.4494 9.0406 119.0513 60.3000 33.6400 175.3645 44 G 4.1977 7.7979 107.0403 46.6222 0.0000 171.6867 45 W 5.8549 8.8783 128.2108 56.4743 33.7514 173.5310 46 Y 3.9764 7.3565 122.2076 55.6645 41.4850 173.3406 47 C 4.5487 7.7287 120.2243 58.1173 34.3022 172.7050 48 T 4.6693 8.6181 116.0727 59.8037 72.1229 174.7706 49 N 4.2991 8.8633 118.2290 56.3816 38.7410 176.7664 50 L 4.1238 7.9713 118.6686 57.6857 42.6453 176.9429 51 T 4.5250 7.9252 115.8578 60.6820 68.4434 172.5458 52 P 4.4218 0.0000 0.0000 63.7509 32.2077 176.9841 53 E 4.2962 7.8277 119.5564 54.4095 31.9113 174.0313 54 G 3.6246 7.9692 113.8505 43.9703 0.0000 169.5046 55 Y 5.4217 9.1339 117.2490 55.9258 42.4855 174.5427 56 A 5.0913 8.8899 124.4813 51.1142 21.0913 176.5405 57 V 4.9374 8.9008 121.7609 61.1672 35.0940 173.8364 58 E 5.0723 9.3187 130.0286 55.1757 30.9034 175.4606 59 S 4.3557 8.8577 122.8442 58.4127 62.4944 174.1114 60 E 4.0626 8.7187 124.0373 57.7342 30.0024 177.4476 61 A 4.1854 7.5100 121.4961 53.6084 19.6928 176.8614 62 H 4.8492 7.8015 113.0335 52.3795 29.2191 170.2707 63 P 4.3791 0.0000 0.0000 64.2048 31.8691 177.0431 64 G 4.0374 9.7366 111.3611 45.1120 0.0000 173.6655 65 S 4.7056 7.9677 116.7433 57.9255 64.3309 173.5326 66 V 5.2645 8.5162 123.1199 61.3632 34.3848 174.2961 67 Q 4.4553 8.9580 124.9469 53.6703 32.7223 174.1650 68 I 4.8419 7.2307 113.1416 59.4757 40.1934 174.3634 69 Y 5.0177 8.9373 121.2313 55.7185 42.9051 173.2017 70 P 4.6257 0.0000 0.0000 62.2127 32.4827 177.9032 71 V 3.9865 8.7174 121.1346 65.1515 31.2016 178.5322 72 A 4.0504 8.0657 121.3264 54.2353 18.5322 177.7954 73 A 4.3265 8.3873 118.1328 53.1442 19.1405 176.7011 74 L 5.4764 7.9857 115.4741 52.7551 44.8828 175.9421 75 E 4.9725 9.0126 118.7533 54.6560 33.2826 174.6629 76 R 4.5887 8.8076 122.1242 56.1392 31.2811 174.9181 77 I 4.7362 8.4983 118.0081 59.1603 41.5112 175.1073 78 N 4.5042 8.5754 118.1224 53.5306 38.6097 175.4470 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 21 N 8.42 4.67 0.00 2.76 2.80 0.00 0.00 6.67 6.57 0.00 0.00 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 7.81 4.17 1.36 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 23 T 9.93 3.83 3.65 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 0.36 0.00 0.00 24 F 7.74 5.21 0.00 2.35 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.39 4.34 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 0.00 26 M 8.58 4.32 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 27 G 9.13 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 0.00 0.00 0.00 28 D 7.80 4.46 0.00 2.58 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.45 4.71 0.00 1.84 1.89 0.00 3.07 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 30 V 8.98 4.96 1.78 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 -0.16 0.00 0.00 0.83 0.00 0.00 31 R 8.91 5.14 0.00 1.81 2.03 0.00 2.75 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 32 K 8.56 4.29 0.00 1.60 1.66 0.00 1.48 0.00 0.00 0.61 0.00 0.00 2.58 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.92 1.15 7.81 33 K 9.09 4.31 0.00 1.61 1.87 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.70 1.41 7.81 34 S 7.99 4.51 0.00 3.93 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 35 G 8.45 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.65 4.07 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 37 A 8.31 4.64 1.26 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 0.00 0.00 38 W 8.34 4.80 0.00 3.43 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 39 Q 7.07 4.81 0.00 2.03 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 40 G 7.60 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.76 5.05 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 42 I 8.55 4.28 2.06 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 1.13 0.00 0.00 43 V 9.04 4.45 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 0.74 0.00 0.00 1.07 0.00 0.00 44 G 7.80 4.20 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 0.00 0.00 0.00 45 W 8.88 5.85 0.00 3.26 3.05 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 46 Y 7.36 3.98 0.00 2.68 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 47 C 7.73 4.55 0.00 2.18 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.62 4.67 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 1.25 0.00 0.00 49 N 8.86 4.30 0.00 2.70 2.91 0.00 0.00 6.80 7.85 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 50 L 7.97 4.12 0.00 1.58 1.69 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 51 T 7.93 4.53 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 52 P 0.00 4.42 0.00 2.15 2.15 0.00 3.25 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.88 0.00 53 E 7.83 4.30 0.00 2.02 1.81 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 2.21 2.38 0.00 54 G 7.97 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 9.13 5.42 0.00 3.13 3.07 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 0.00 0.00 0.00 0.00 56 A 8.89 5.09 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 57 V 8.90 4.94 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 1.27 0.00 0.00 1.22 0.00 0.00 58 E 9.32 5.07 0.00 2.19 1.87 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 2.32 2.50 0.00 59 S 8.86 4.36 0.00 2.93 3.72 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 60 E 8.72 4.06 0.00 2.04 1.97 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 2.31 2.12 0.00 61 A 7.51 4.19 0.98 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 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.80 4.85 0.00 3.10 3.14 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.38 0.00 2.04 2.01 0.00 3.67 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 2.03 2.08 0.00 64 G 9.74 4.04 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 0.00 0.00 0.00 65 S 7.97 4.71 0.00 4.07 4.09 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 0.00 0.00 0.00 0.00 66 V 8.52 5.26 2.11 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 0.86 0.00 0.00 1.08 0.00 0.00 67 Q 8.96 4.46 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.53 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 68 I 7.23 4.84 1.37 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.20 0.61 0.00 0.00 69 Y 8.94 5.02 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.63 0.00 2.26 1.99 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 71 V 8.72 3.99 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00 72 A 8.07 4.05 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 73 A 8.39 4.33 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 74 L 7.99 5.48 0.00 1.95 1.54 1.24 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.01 4.97 0.00 2.02 2.04 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 2.35 2.23 0.00 76 R 8.81 4.59 0.00 2.00 1.98 0.00 3.21 0.00 0.00 3.51 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 77 I 8.50 4.74 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.88 0.00 0.00 78 N 8.58 4.50 0.00 2.72 2.75 0.00 0.00 6.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00