NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.3129 8.2393 120.8557 56.4537 30.7756 174.9412 7 T 4.6161 7.9635 115.2520 56.5630 73.3792 171.9864 8 P 4.2364 0.0000 0.0000 66.3348 31.4544 179.7204 9 E 3.9378 8.0570 117.6046 59.6048 29.5129 178.9300 10 H 4.2079 8.0840 116.1600 58.7191 28.6967 178.1659 11 V 3.5956 8.2088 120.5305 65.9720 31.3738 177.4488 12 Y 4.0409 8.5823 119.6629 60.5535 38.5948 177.5515 13 L 3.6982 8.2994 121.6041 58.6472 42.1751 178.8832 14 C 3.9760 7.9978 116.2672 62.6347 27.8962 176.1514 15 Q 3.9511 7.9373 119.7383 59.1818 28.2560 179.2411 16 R 3.8054 7.7567 118.9319 58.9182 30.1098 179.1017 17 L 3.9829 8.0807 119.2924 57.8256 41.4947 179.5722 18 R 4.4735 8.0517 119.9013 59.1244 30.0457 178.3637 19 Q 3.9470 8.4257 119.3406 58.9783 29.1442 177.9398 20 A 4.0237 8.4262 122.2944 55.0881 18.4681 179.5848 21 R 3.8019 8.0924 116.8794 59.5858 30.1435 178.8319 22 L 3.9969 8.2427 119.0175 57.9771 41.4394 179.2242 23 D 4.3774 8.6236 117.7393 56.9137 40.7819 177.7733 24 A 4.3938 7.6908 118.5247 51.1668 18.7921 177.1696 25 G 3.8837 7.9794 105.5794 46.6522 0.0000 173.7573 26 L 4.5616 7.5146 118.9134 52.5890 43.6192 177.5767 27 T 4.1253 8.2378 117.0759 61.6749 69.4007 175.3468 28 Q 3.9339 8.5258 122.4237 58.9682 28.7244 178.9852 29 A 4.0160 7.9089 121.3117 55.1296 18.4506 179.3027 30 D 4.2440 7.8549 117.0251 57.2957 41.0018 178.5380 31 L 3.7050 7.8361 120.5957 58.0464 42.0958 178.6948 32 A 3.9757 7.8628 120.7096 55.1982 18.2379 179.1918 33 E 3.8328 8.1886 117.6100 59.6034 29.5199 179.2883 34 R 3.9074 7.6528 116.7715 58.9925 30.1977 178.3399 35 L 4.1579 7.7762 116.3933 54.2202 42.1825 176.0407 36 D 4.3472 7.8590 117.3434 55.4613 39.8884 172.8499 37 K 4.6111 8.1846 115.1005 53.2565 35.8741 174.5823 38 P 4.5590 0.0000 0.0000 62.0032 32.2712 177.5407 39 Q 4.0162 8.7581 120.6542 59.5710 28.7301 178.7780 40 S 4.1744 8.1635 114.8263 61.2662 62.9017 176.0612 41 F 4.1992 8.1166 124.3273 61.3007 39.2815 177.2897 42 V 3.7122 8.0355 116.9975 65.8679 31.4189 177.4947 43 A 4.0261 8.1605 120.4917 55.4051 18.2331 179.8907 44 K 4.0702 8.1625 118.2328 58.7901 32.1371 179.8948 45 V 3.6896 7.4988 120.0529 65.4298 31.2953 177.7455 46 E 4.1655 8.2515 117.5286 58.1648 29.1389 177.9817 47 T 4.4311 7.6315 108.8837 60.8545 68.9084 175.6380 48 R 3.8679 7.4383 118.5691 57.4709 28.0786 177.0672 49 E 4.1473 8.2268 118.3048 57.6852 29.8025 176.9083 50 R 4.4990 7.5373 119.0550 54.3511 32.7084 173.7800 51 R 4.3479 8.4701 124.3723 55.1172 31.3709 176.1454 52 L 4.5664 8.1258 122.1105 54.1710 42.8153 177.1970 53 D 4.7555 8.9084 122.8496 52.4919 42.2376 177.6868 54 V 3.7129 8.2252 117.5518 66.1579 31.4013 177.9103 55 I 3.8002 7.8861 119.2626 64.4017 37.0550 178.0146 56 E 4.1215 9.2533 119.8439 59.2711 29.2273 178.9680 57 F 4.1662 8.6393 120.6973 61.3960 39.3842 176.8290 58 A 3.8296 8.3812 120.3937 55.3241 18.1014 179.7928 59 K 3.9288 8.2156 116.7757 59.1879 32.1199 179.4610 60 W 4.0495 8.6885 129.0111 60.9418 30.6680 178.0375 61 M 4.1468 8.2940 118.6189 58.2361 31.2836 178.7037 62 A 3.9240 8.2428 120.9345 55.1164 18.3641 179.6003 63 A 3.9765 8.0988 118.3680 54.8846 18.4864 178.6512 64 C 4.2763 7.7865 112.7414 58.9472 28.7030 173.3122 65 E 3.7915 8.1283 119.3042 57.9617 27.1426 175.0336 66 G 4.2070 8.1717 104.4593 44.9552 0.0000 176.1177 67 L 4.0723 7.9661 122.4081 56.9263 41.9865 178.9138 68 D 4.4958 8.1506 117.5917 55.1568 39.8557 177.6164 69 V 4.3965 7.6447 112.5471 60.9175 32.0550 177.3922 70 V 3.7028 7.3848 119.0888 66.3054 31.2753 177.6672 71 S 4.1207 8.1432 112.1098 61.4706 62.2144 175.6404 72 E 3.9588 8.1673 121.3715 59.2693 29.5085 178.5579 73 I 3.9325 7.8196 119.8637 64.6463 37.1644 178.6913 74 V 3.5794 8.2608 119.0642 65.7930 31.2944 177.8678 75 A 3.9851 8.3593 120.9113 55.4684 18.0797 179.7907 76 T 3.7088 8.1257 114.2325 66.6437 68.3536 176.9619 77 I 3.5900 7.7500 121.4700 64.3962 36.9612 178.3451 78 A 3.9861 7.9691 120.3452 55.0965 18.3313 178.7785 79 E 4.2189 8.1378 113.9641 56.3784 29.6345 177.8534 80 G 3.8322 7.5455 107.2896 46.1267 0.0000 174.5476 81 R 4.2505 7.3899 116.3032 55.4894 30.5537 176.4516 82 A 3.4863 7.4985 126.4958 52.2052 18.3176 177.6005 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 R 8.24 4.31 0.00 1.77 1.93 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 7 T 7.96 4.62 4.38 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 1.25 0.00 0.00 8 P 0.00 4.24 0.00 2.25 2.35 0.00 3.70 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 2.05 0.00 9 E 8.06 3.94 0.00 1.96 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 2.32 2.39 0.00 10 H 8.08 4.21 0.00 3.26 3.32 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.21 3.60 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 12 Y 8.58 4.04 0.00 3.05 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 3.70 0.00 1.77 1.73 0.74 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 14 C 8.00 3.98 0.00 2.96 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 15 Q 7.94 3.95 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 16 R 7.76 3.81 0.00 1.66 1.83 0.00 3.10 0.00 0.00 2.95 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.99 0.00 17 L 8.08 3.98 0.00 1.54 1.10 0.35 0.15 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 18 R 8.05 4.47 0.00 1.95 2.17 0.00 3.18 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 19 Q 8.43 3.95 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 20 A 8.43 4.02 1.50 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 21 R 8.09 3.80 0.00 1.95 2.21 0.00 3.08 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 22 L 8.24 4.00 0.00 1.88 1.71 0.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.62 4.38 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.69 4.39 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 25 G 7.98 3.88 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 0.00 0.00 0.00 26 L 7.51 4.56 0.00 1.69 1.50 0.84 0.76 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 27 T 8.24 4.13 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 1.27 0.00 0.00 28 Q 8.53 3.93 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 29 A 7.91 4.02 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 30 D 7.85 4.24 0.00 2.85 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 31 L 7.84 3.70 0.00 1.50 1.50 0.50 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.86 3.98 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 E 8.19 3.83 0.00 2.03 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 0.00 2.27 2.32 0.00 34 R 7.65 3.91 0.00 1.91 1.91 0.00 3.11 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 35 L 7.78 4.16 0.00 1.69 1.65 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.86 4.35 0.00 2.76 2.68 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 0.00 0.00 0.00 0.00 37 K 8.18 4.61 0.00 1.58 1.47 0.00 0.85 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.10 1.00 7.81 38 P 0.00 4.56 0.00 2.24 1.99 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 39 Q 8.76 4.02 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 40 S 8.16 4.17 0.00 4.13 4.16 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 41 F 8.12 4.20 0.00 3.12 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 42 V 8.04 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 0.94 0.00 0.00 0.82 0.00 0.00 43 A 8.16 4.03 1.44 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 0.00 0.00 0.00 44 K 8.16 4.07 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 45 V 7.50 3.69 2.05 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 0.56 0.00 0.00 0.29 0.00 0.00 46 E 8.25 4.17 0.00 2.27 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 2.49 2.80 0.00 47 T 7.63 4.43 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 48 R 7.44 3.87 0.00 2.00 2.04 0.00 3.14 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 49 E 8.23 4.15 0.00 2.03 1.99 0.00 0.00 0.00 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 2.22 0.00 50 R 7.54 4.50 0.00 1.80 1.61 0.00 3.28 0.00 0.00 3.41 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 51 R 8.47 4.35 0.00 1.82 1.82 0.00 3.21 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 52 L 8.13 4.57 0.00 1.61 1.67 0.74 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.91 4.76 0.00 2.99 2.87 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 54 V 8.23 3.71 2.14 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 1.26 0.00 0.00 0.94 0.00 0.00 55 I 7.89 3.80 2.05 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.57 0.95 0.00 0.00 56 E 9.25 4.12 0.00 2.29 2.33 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 2.44 2.53 0.00 57 F 8.64 4.17 0.00 3.15 3.35 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 58 A 8.38 3.83 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 59 K 8.22 3.93 0.00 2.04 1.91 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.62 7.81 60 W 8.69 4.05 0.00 3.64 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.29 4.15 0.00 1.87 1.72 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.02 0.00 62 A 8.24 3.92 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 63 A 8.10 3.98 1.24 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 0.00 0.00 0.00 64 C 7.79 4.28 0.00 3.12 3.12 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 65 E 8.13 3.79 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 66 G 8.17 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 0.00 0.00 0.00 67 L 7.97 4.07 0.00 1.71 1.73 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.15 4.50 0.00 2.83 2.93 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 69 V 7.64 4.40 2.12 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 0.83 0.00 0.00 1.04 0.00 0.00 70 V 7.38 3.70 2.27 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 1.26 0.00 0.00 0.89 0.00 0.00 71 S 8.14 4.12 0.00 3.97 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 72 E 8.17 3.96 0.00 2.12 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 0.00 2.47 2.45 0.00 73 I 7.82 3.93 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.58 0.99 0.00 0.00 74 V 8.26 3.58 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 1.09 0.00 0.00 0.95 0.00 0.00 75 A 8.36 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.13 3.71 4.37 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 0.60 0.00 0.00 77 I 7.75 3.59 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.30 0.84 0.00 0.00 78 A 7.97 3.99 1.31 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 0.00 0.00 79 E 8.14 4.22 0.00 2.01 1.95 0.00 0.00 0.00 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 2.29 0.00 80 G 7.55 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.39 4.25 0.00 1.62 1.84 0.00 3.13 0.00 0.00 3.33 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 82 A 7.50 3.49 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00