NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4412 8.2893 120.3291 54.6383 33.4299 174.6563 2 Q 3.8328 8.4249 118.6030 55.5562 28.1875 170.7488 3 V 3.5679 8.7615 126.1416 62.0399 33.2223 176.9375 4 I 3.2110 8.2835 125.6300 60.8996 37.3104 172.7249 5 L 4.4265 7.6131 120.1763 55.0796 45.0476 173.8698 6 L 4.5192 8.2713 120.2586 55.1507 47.0575 174.8006 7 E 4.4508 8.0575 119.9828 53.8470 29.7089 172.7927 8 P 4.8852 0.0000 0.0000 64.6999 30.7807 178.6232 9 S 4.0855 10.2527 113.9605 58.4895 60.2252 169.8917 10 R 4.1698 7.7488 118.6934 56.0762 32.3287 173.8183 11 L 3.4280 9.2560 123.2686 55.7940 38.6942 176.5145 12 G 3.8680 8.1374 111.6677 46.5840 0.0000 169.5646 13 K 4.4692 8.3268 115.6767 57.2960 37.9979 176.8703 14 T 4.1343 7.8447 108.9215 61.9162 69.7375 173.2182 15 G 4.4981 8.2329 108.0351 45.4097 0.0000 172.9519 16 E 4.9325 8.2602 115.0493 54.9844 32.1010 176.5921 17 V 4.1692 8.0565 122.4050 60.5541 30.8466 176.1872 18 V 4.4820 7.2070 117.8924 61.9129 34.9566 174.8745 19 S 4.5717 8.3096 120.4659 55.7335 63.0280 173.6649 20 V 3.7029 8.3605 127.5496 66.5657 31.6060 176.9301 21 K 4.2465 7.7396 117.0798 56.2890 32.9425 177.6088 22 D 4.5841 8.4549 121.3037 54.3877 38.6619 177.7015 23 G 4.1007 7.9311 104.3192 46.3806 0.0000 172.0417 24 Y 4.4631 7.5216 116.8571 57.2080 36.6931 175.3898 25 A 4.2852 7.0886 125.4606 54.4958 20.1318 178.3497 26 R 4.1384 7.5422 118.5126 54.2168 27.9728 175.4379 27 N 4.2990 7.6956 118.1421 52.7546 43.0395 174.4793 28 W 5.1090 8.1048 124.6610 57.8573 37.4600 174.5630 29 L 4.3429 7.9102 120.3916 52.6577 40.3588 175.2022 30 I 4.3207 6.9926 117.6153 61.1623 44.6699 172.3045 31 P 4.8554 0.0000 0.0000 62.4653 31.5112 175.7932 32 Q 4.4006 7.6507 116.5871 55.8615 29.6041 175.7358 33 G 4.0629 8.5200 107.6394 45.4540 0.0000 175.8164 34 L 5.2934 7.4506 125.3558 54.2328 41.1412 175.8081 35 A 4.2258 8.8850 130.0786 54.3055 23.9029 178.4506 36 V 3.2789 8.7836 105.6163 62.1640 29.3740 169.9859 37 S 3.8941 8.5867 120.0485 58.3004 62.5788 170.8511 38 A 4.4228 7.9116 124.6646 52.5576 22.5264 175.9141 39 T 4.8364 7.8049 111.5636 60.8106 69.4478 173.5928 40 R 4.5035 8.4739 116.8052 56.3700 30.6388 176.7905 41 T 4.3488 7.5699 110.4212 61.0841 67.6101 174.9839 42 N 5.2439 7.6313 111.9751 53.7607 38.1526 175.3847 43 M 4.7444 7.5222 117.3140 52.6389 33.7089 174.7246 44 K 4.6411 8.9315 123.5517 57.2370 34.4594 173.4226 45 T 4.5116 7.8931 117.0704 63.1430 66.0069 171.6393 46 L 5.0603 7.2884 118.8827 54.1346 44.6063 174.4598 47 E 5.8701 8.0329 130.8030 57.4410 29.9579 177.3692 48 A 4.6196 6.8913 122.4422 50.1294 18.2856 176.2856 49 Q 4.7132 7.0780 113.9701 55.1356 31.2020 173.1409 50 L 4.3014 8.0679 113.1537 54.7508 44.4015 172.6333 51 R 4.2417 8.5667 127.8845 56.5514 33.5612 175.2284 52 S 4.0577 8.8015 115.1436 59.8945 63.3208 172.5197 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 8.29 4.44 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 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 Q 8.42 3.83 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.08 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 3 V 8.76 3.57 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 0.90 0.00 0.00 0.99 0.00 0.00 4 I 8.28 3.21 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 1.18 0.42 0.91 0.00 0.00 5 L 7.61 4.43 0.00 1.35 1.82 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.27 4.52 0.00 1.58 1.58 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.06 4.45 0.00 2.00 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 2.27 2.25 0.00 8 P 0.00 4.89 0.00 2.25 1.99 0.00 3.79 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 9 S 10.25 4.09 0.00 4.06 4.10 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 10 R 7.75 4.17 0.00 1.67 1.85 0.00 3.31 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 11 L 9.26 3.43 0.00 1.76 1.70 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.14 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 13 K 8.33 4.47 0.00 1.68 1.76 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.52 7.81 14 T 7.84 4.13 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 15 G 8.23 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.26 4.93 0.00 1.96 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 2.17 2.15 0.00 17 V 8.06 4.17 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 0.73 0.00 0.00 0.94 0.00 0.00 18 V 7.21 4.48 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 0.89 0.00 0.00 0.94 0.00 0.00 19 S 8.31 4.57 0.00 3.99 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.36 3.70 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 0.83 0.00 0.00 0.95 0.00 0.00 21 K 7.74 4.25 0.00 1.88 1.80 0.00 1.89 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.54 7.81 22 D 8.45 4.58 0.00 2.67 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 23 G 7.93 4.10 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 0.00 0.00 0.00 24 Y 7.52 4.46 0.00 2.89 3.09 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 25 A 7.09 4.29 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.54 4.14 0.00 1.75 1.83 0.00 3.26 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 27 N 7.70 4.30 0.00 1.64 1.56 0.00 0.00 6.96 7.68 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 28 W 8.10 5.11 0.00 3.24 3.33 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 29 L 7.91 4.34 0.00 1.74 1.55 0.86 0.98 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 30 I 6.99 4.32 1.82 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 1.43 0.32 0.85 0.00 0.00 31 P 0.00 4.86 0.00 2.16 2.08 0.00 3.43 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 32 Q 7.65 4.40 0.00 1.70 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.55 0.00 0.00 0.00 0.00 0.00 2.06 1.94 0.00 33 G 8.52 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 34 L 7.45 5.29 0.00 1.55 1.48 0.96 0.75 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 35 A 8.88 4.23 1.20 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 36 V 8.78 3.28 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 0.74 0.00 0.00 0.93 0.00 0.00 37 S 8.59 3.89 0.00 4.10 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 38 A 7.91 4.42 1.21 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 39 T 7.80 4.84 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 1.25 0.00 0.00 40 R 8.47 4.50 0.00 1.93 1.99 0.00 3.09 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 41 T 7.57 4.35 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 42 N 7.63 5.24 0.00 2.78 2.86 0.00 0.00 6.12 7.66 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 43 M 7.52 4.74 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 44 K 8.93 4.64 0.00 1.90 1.73 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 1.18 7.81 45 T 7.89 4.51 4.36 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 1.25 0.00 0.00 46 L 7.29 5.06 0.00 1.59 1.63 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.03 5.87 0.00 2.02 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 0.00 2.05 2.10 0.00 48 A 6.89 4.62 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 49 Q 7.08 4.71 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 50 L 8.07 4.30 0.00 1.58 1.50 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.57 4.24 0.00 1.79 1.76 0.00 3.41 0.00 0.00 3.15 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 52 S 8.80 4.06 0.00 3.98 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