NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5129 8.3044 120.3268 55.5158 33.7315 173.7513 2 Q 4.4047 8.4506 121.9804 56.2742 34.4738 175.0127 3 L 4.0682 7.8769 116.7602 57.6700 43.0503 178.9042 4 V 3.7864 7.6917 118.5758 64.2643 31.6222 178.1263 5 L 3.9136 7.8630 120.6527 57.8905 41.8397 178.5530 6 A 4.1918 8.0121 120.1471 54.9214 18.3910 179.1024 7 A 4.0684 7.6423 117.3326 54.2714 18.3514 179.7945 8 K 3.8528 7.7269 117.6204 59.2366 31.8939 178.8538 9 Y 4.2498 7.4738 116.4993 60.6764 37.6522 177.8211 10 I 3.8776 7.6820 121.0227 64.2786 36.6958 178.6367 11 G 3.3438 8.1530 105.8584 47.0960 0.0000 175.5756 12 A 4.1976 7.5720 122.8682 54.6134 18.3459 179.4953 13 G 3.4547 7.7704 102.9878 46.8601 0.0000 175.3464 14 I 4.1373 7.2637 121.7409 63.2184 37.1882 177.6194 15 S 4.3618 7.7413 113.4516 60.2360 63.0111 175.9809 16 T 3.7616 7.3467 112.3410 64.2557 68.6705 176.7823 17 I 3.8986 7.7058 123.2111 63.8987 36.8669 177.6854 18 G 3.8735 7.4519 104.1247 45.8459 0.0000 174.4825 19 L 4.4483 7.6098 120.6863 55.1028 41.9615 178.3634 20 L 4.1486 7.7986 121.2742 57.4977 41.6418 179.3975 21 G 3.6611 8.1837 105.0468 47.1301 0.0000 174.9687 22 A 4.4070 7.8834 122.7539 53.7647 18.7195 179.8822 23 G 3.5144 7.8043 104.1287 48.2331 0.0000 175.9714 24 I 3.8419 7.9276 123.1048 63.3759 37.3910 178.3792 25 G 3.9873 7.9739 107.5843 47.5609 0.0000 175.5975 26 I 3.8943 7.7806 121.9171 63.3283 37.0559 178.5820 27 A 4.0272 7.5234 121.5722 55.3393 18.3489 179.7509 28 I 3.6946 7.7073 118.1126 64.5189 36.9457 178.8955 29 V 3.6144 7.5354 117.6748 65.9986 31.3116 177.5443 30 F 4.0255 8.5798 120.1877 60.8859 39.2466 177.2108 31 A 4.1139 8.6669 120.8126 54.9563 18.1147 179.4657 32 A 3.9754 8.0284 119.4563 55.1777 18.4101 179.6075 33 L 3.8528 7.6141 118.5760 58.1763 41.7156 179.3555 34 I 3.8052 7.5548 119.5764 64.2629 37.0053 177.6307 35 N 4.5889 8.1720 116.9348 55.9320 39.0619 177.1531 36 G 3.7053 8.0817 107.5745 47.8839 0.0000 176.2981 37 V 3.8049 7.6826 113.5019 63.0341 31.7350 177.1523 38 S 4.6516 7.5645 112.1397 58.0487 62.9866 174.5629 39 R 4.5790 7.7659 119.4036 56.3595 31.2882 175.4380 40 N 5.0148 7.6194 115.0215 52.0569 39.8827 172.4305 41 P 3.9780 0.0000 0.0000 64.6687 31.7475 178.3966 42 S 3.9915 7.1135 113.6617 61.5252 62.4360 174.9059 43 I 4.0101 7.4430 129.9549 60.9629 36.2114 174.6516 44 K 4.4177 8.4385 123.9426 58.2060 33.9824 177.8517 45 D 4.5690 8.0933 114.2489 54.9816 39.9405 176.9133 46 T 4.4538 7.8901 117.7395 64.4193 71.2153 176.2270 47 V 3.9425 7.6607 119.4675 64.7095 31.6679 177.6736 48 F 3.8442 8.2527 121.0330 60.5350 38.8547 175.3255 49 P 4.4009 0.0000 0.0000 66.2413 31.3572 178.2947 50 M 4.0795 7.6340 113.6462 57.6984 30.8658 178.2831 51 A 3.8900 7.8140 121.2699 55.1703 18.8897 179.3685 52 I 3.7963 7.4756 118.2014 64.3787 36.9510 178.6380 53 L 4.1724 7.7011 119.7227 57.7785 41.4580 179.7865 54 G 3.7507 8.1300 105.1423 47.1467 0.0000 175.6845 55 F 4.2429 8.0866 122.7051 61.4985 39.3109 177.1477 56 A 3.7570 8.0141 118.2059 54.8436 18.3501 179.1191 57 L 4.0641 7.5609 116.5489 57.7391 40.6314 179.0690 58 S 4.2194 7.9940 112.2160 60.0081 62.6152 175.3009 59 E 3.7598 8.1488 121.7145 57.9492 29.1303 178.1771 60 A 3.6574 7.3346 121.0772 55.7084 18.0480 179.7062 61 T 4.0991 7.5743 108.1896 64.3306 68.4685 175.6775 62 G 3.7316 7.5801 106.0550 45.0733 0.0000 174.4000 63 L 4.4447 7.6651 121.0503 56.3644 43.1385 178.4473 64 F 4.3455 7.4873 116.9398 61.1307 38.7900 177.5390 65 C 4.3072 7.6018 114.0680 62.2873 28.1875 175.5953 66 L 4.0791 7.7625 122.0214 58.1575 41.8859 178.5043 67 M 4.4878 8.3760 118.8869 58.1633 31.6758 178.8249 68 V 3.6952 7.6127 117.8916 65.8483 31.7983 177.9246 69 S 4.1648 7.5998 113.5375 61.3161 62.9006 176.4830 70 F 4.5608 7.8594 120.6838 59.7894 38.7605 176.5346 71 L 4.4550 7.9059 117.0840 54.9645 41.1955 177.7366 72 L 4.7638 7.7205 117.3641 53.8814 43.9485 176.7729 73 L 4.3168 7.9815 115.9686 55.8197 43.5520 177.4147 74 F 5.1860 8.2317 113.3461 56.8643 41.0326 175.3762 75 G 3.8530 8.2272 107.3878 44.7274 0.0000 173.4480 76 V 3.6728 5.4500 122.0612 63.3059 33.0308 170.6904 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 8.30 4.51 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 Q 8.45 4.40 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 3 L 7.88 4.07 0.00 1.65 1.71 0.92 0.91 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 4 V 7.69 3.79 2.06 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 0.83 0.00 0.00 0.90 0.00 0.00 5 L 7.86 3.91 0.00 1.75 1.86 0.86 1.24 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 6 A 8.01 4.19 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 7 A 7.64 4.07 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 8 K 7.73 3.85 0.00 1.33 1.76 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.56 7.81 9 Y 7.47 4.25 0.00 2.99 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 10 I 7.68 3.88 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.09 0.92 0.00 0.00 11 G 8.15 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 0.00 0.00 0.00 12 A 7.57 4.20 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 13 G 7.77 3.45 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 0.00 14 I 7.26 4.14 1.86 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 1.57 0.96 0.90 0.00 0.00 15 S 7.74 4.36 0.00 4.06 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 16 T 7.35 3.76 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 1.20 0.00 0.00 17 I 7.71 3.90 1.97 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 1.45 0.72 0.91 0.00 0.00 18 G 7.45 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 19 L 7.61 4.45 0.00 1.86 1.70 0.90 0.64 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 20 L 7.80 4.15 0.00 1.65 1.72 0.92 0.81 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 21 G 8.18 3.66 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 0.00 0.00 0.00 22 A 7.88 4.41 1.29 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 23 G 7.80 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.84 1.88 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 1.46 1.07 0.92 0.00 0.00 25 G 7.97 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.78 3.89 2.10 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 1.55 0.86 1.28 0.00 0.00 27 A 7.52 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 28 I 7.71 3.69 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.27 0.93 0.00 0.00 29 V 7.54 3.61 2.18 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 0.81 0.00 0.00 1.03 0.00 0.00 30 F 8.58 4.03 0.00 3.30 2.92 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 0.00 0.00 0.00 31 A 8.67 4.11 1.46 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 0.00 0.00 32 A 8.03 3.98 1.38 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 0.00 0.00 33 L 7.61 3.85 0.00 1.48 1.53 0.81 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.55 3.81 2.08 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.34 0.96 0.00 0.00 35 N 8.17 4.59 0.00 2.75 2.85 0.00 0.00 7.24 8.00 0.00 0.00 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 G 8.08 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 V 7.68 3.80 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 0.77 0.00 0.00 1.05 0.00 0.00 38 S 7.56 4.65 0.00 4.03 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 39 R 7.77 4.58 0.00 1.84 2.05 0.00 3.29 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 40 N 7.62 5.01 0.00 2.79 2.62 0.00 0.00 6.98 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 41 P 0.00 3.98 0.00 2.22 2.18 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 42 S 7.11 3.99 0.00 3.73 4.03 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 43 I 7.44 4.01 1.88 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 1.30 0.92 0.92 0.00 0.00 44 K 8.44 4.42 0.00 1.75 1.72 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.75 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.48 7.81 45 D 8.09 4.57 0.00 2.69 2.64 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 46 T 7.89 4.45 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 1.22 0.00 0.00 47 V 7.66 3.94 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 1.00 0.00 0.00 0.94 0.00 0.00 48 F 8.25 3.84 0.00 3.25 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 49 P 0.00 4.40 0.00 2.35 2.36 0.00 3.77 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 2.24 2.22 0.00 50 M 7.63 4.08 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 51 A 7.81 3.89 1.05 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 52 I 7.48 3.80 2.04 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.21 0.99 0.00 0.00 53 L 7.70 4.17 0.00 1.90 1.74 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.13 3.75 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 0.00 0.00 0.00 55 F 8.09 4.24 0.00 3.15 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 56 A 8.01 3.76 1.29 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 57 L 7.56 4.06 0.00 1.90 1.72 0.93 0.69 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 58 S 7.99 4.22 0.00 3.92 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 59 E 8.15 3.76 0.00 1.28 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 60 A 7.33 3.66 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 4.10 4.29 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 1.28 0.00 0.00 62 G 7.58 3.73 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 0.00 0.00 0.00 63 L 7.67 4.44 0.00 1.25 1.42 0.70 1.08 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 64 F 7.49 4.35 0.00 3.09 3.01 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 65 C 7.60 4.31 0.00 2.83 3.24 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 66 L 7.76 4.08 0.00 1.92 1.83 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.38 4.49 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.66 0.00 68 V 7.61 3.70 2.23 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 0.85 0.00 0.00 1.08 0.00 0.00 69 S 7.60 4.16 0.00 3.98 3.92 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 0.00 0.00 0.00 70 F 7.86 4.56 0.00 3.33 3.20 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 71 L 7.91 4.45 0.00 1.90 1.71 0.98 0.54 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 72 L 7.72 4.76 0.00 1.57 1.73 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.98 4.32 0.00 1.13 0.91 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.23 5.19 0.00 3.18 2.99 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 0.00 0.00 0.00 75 G 8.23 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 5.45 3.67 2.06 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 0.67 0.00 0.00 0.86 0.00 0.00