NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5334 8.1633 120.3317 54.7739 33.8977 176.3244 2 K 3.7264 8.6200 119.0991 59.3927 31.9574 178.9093 3 F 4.0347 8.3463 117.6779 60.4294 39.3929 177.1296 4 I 3.5613 7.9544 117.5124 64.1185 37.8854 177.6373 5 A 3.8972 7.6496 120.1825 54.9301 18.1643 179.4379 6 A 3.9316 8.0334 119.5427 55.5527 18.5447 179.5278 7 Y 4.2925 8.1154 116.3317 59.9077 38.2806 177.8239 8 L 3.7845 7.4621 122.2673 57.8599 41.6233 178.7083 9 L 3.9444 8.3354 120.4079 58.2002 42.1615 178.8153 10 A 4.0717 8.1249 120.7434 55.2920 18.0580 178.9741 11 Y 3.4925 8.0020 117.3481 60.5816 38.9377 177.8526 12 L 4.1928 7.7712 119.1357 57.9164 41.8551 179.4877 13 S 4.2538 7.5444 111.9477 59.7668 63.0341 175.3454 14 G 3.7927 7.6033 109.1279 44.7842 0.0000 173.3960 15 N 4.4156 7.2574 116.2134 52.5272 39.1502 175.0781 16 A 4.1580 8.3419 124.6219 52.1805 19.1277 177.7978 17 S 4.5911 8.4534 115.0468 56.1560 63.0652 172.1103 18 P 4.6913 0.0000 0.0000 60.8482 33.1940 175.6111 19 S 4.1694 7.9852 113.1489 61.1194 62.4858 175.8364 20 A 4.0088 8.2001 124.7992 55.2307 19.2636 178.9056 21 E 4.1315 8.3548 115.2468 58.8727 30.1682 176.7192 22 D 4.7439 8.0188 115.4836 55.4985 43.8966 177.6803 23 L 3.9702 7.9959 119.9218 58.5273 42.0116 178.9560 24 T 3.8645 8.0615 113.0513 65.0729 67.1895 176.0556 25 S 4.0512 8.0169 114.6558 61.3992 62.5787 176.0786 26 I 3.6777 8.0742 122.7780 64.4596 36.9489 178.4939 27 L 3.9246 7.7040 119.2960 57.7744 41.3852 179.4294 28 E 3.9711 8.8740 119.0092 59.4550 29.1555 179.3430 29 S 4.1150 8.1163 112.4780 61.2802 62.4547 176.0926 30 V 3.7332 7.4868 120.3350 64.2161 31.2523 176.8289 31 G 3.9781 7.9508 105.3949 45.1049 0.0000 172.3713 32 C 4.6342 7.3436 118.5011 57.0797 33.3552 172.6967 33 E 4.1961 8.4933 126.1378 55.5135 29.9395 175.9933 34 I 4.1758 8.0747 126.2167 59.9555 39.5569 174.2855 35 D 4.6390 8.7902 125.5278 53.6911 42.1342 176.6085 36 N 4.3799 8.9972 124.8050 56.8841 39.0413 176.7559 37 E 3.9425 8.2744 119.4530 59.4073 29.5584 179.3435 38 K 3.7066 9.2888 119.6857 59.4435 31.9162 179.1423 39 M 4.0614 7.9483 118.0881 58.5893 32.2018 177.9205 40 E 3.9251 8.6323 119.9888 59.1195 29.7764 178.5557 41 L 3.9030 7.8836 120.4045 58.3766 42.1823 178.8194 42 M 3.9960 8.6567 119.5616 58.2758 31.8204 178.5096 43 L 3.8335 8.3736 120.8151 58.1539 42.0425 178.9771 44 S 4.0539 8.2683 112.3715 61.3665 62.3877 175.5471 45 Q 4.0461 8.2044 121.8352 59.1673 29.0584 178.1110 46 V 3.6058 7.7825 119.3218 64.3938 31.4595 176.1835 47 K 3.9206 7.1709 119.4305 58.0303 32.2562 176.4125 48 G 3.8881 8.9403 113.2459 45.8199 0.0000 172.5080 49 K 4.3991 7.7819 119.7153 54.2587 34.1519 176.1577 50 D 4.6814 8.2878 124.4326 53.0225 41.7641 177.0426 51 I 3.6151 7.9875 129.3915 64.4448 37.1429 178.2262 52 T 3.8926 7.8213 114.1945 65.0913 67.2894 176.2469 53 E 3.9907 8.0722 120.2275 59.1891 29.3808 178.8050 54 L 4.0055 7.5057 119.2169 57.9775 42.2123 178.3517 55 L 4.0403 7.5890 118.7145 58.0700 42.0533 178.5094 56 A 4.0792 7.6616 118.9568 54.1085 18.8033 178.1707 57 A 4.0086 7.1179 118.6184 52.3488 19.0208 177.2073 58 G 4.1440 8.3418 110.7135 44.2692 0.0000 173.8085 59 R 4.1268 8.1226 119.6698 56.4207 30.2475 174.7615 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 8.16 4.53 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 2 K 8.62 3.73 0.00 1.35 1.51 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.43 7.81 3 F 8.35 4.03 0.00 3.27 3.28 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 4 I 7.95 3.56 1.92 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.07 0.99 0.00 0.00 5 A 7.65 3.90 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 6 A 8.03 3.93 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 7 Y 8.12 4.29 0.00 3.29 3.31 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 8 L 7.46 3.78 0.00 1.44 1.75 0.89 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.34 3.94 0.00 1.87 1.84 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.12 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.00 3.49 0.00 3.36 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 12 L 7.77 4.19 0.00 1.87 1.73 1.02 0.76 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 13 S 7.54 4.25 0.00 4.04 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 14 G 7.60 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.26 4.42 0.00 2.74 2.97 0.00 0.00 6.89 7.23 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 16 A 8.34 4.16 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 17 S 8.45 4.59 0.00 4.04 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 18 P 0.00 4.69 0.00 2.24 2.23 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.94 0.00 19 S 7.99 4.17 0.00 3.89 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 20 A 8.20 4.01 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 21 E 8.35 4.13 0.00 1.93 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 2.30 2.40 0.00 22 D 8.02 4.74 0.00 2.73 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 23 L 8.00 3.97 0.00 1.88 1.94 1.04 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.06 3.86 4.27 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 1.29 0.00 0.00 25 S 8.02 4.05 0.00 3.99 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 26 I 8.07 3.68 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.11 0.89 0.00 0.00 27 L 7.70 3.92 0.00 1.63 1.57 0.78 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.87 3.97 0.00 2.13 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 2.32 2.48 0.00 29 S 8.12 4.11 0.00 3.96 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 30 V 7.49 3.73 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 0.83 0.00 0.00 0.91 0.00 0.00 31 G 7.95 3.98 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 0.00 32 C 7.34 4.63 0.00 2.91 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 33 E 8.49 4.20 0.00 1.98 1.85 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 2.31 2.31 0.00 34 I 8.07 4.18 1.84 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 1.55 0.95 0.96 0.00 0.00 35 D 8.79 4.64 0.00 3.07 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 36 N 9.00 4.38 0.00 2.90 2.82 0.00 0.00 7.22 7.65 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 37 E 8.27 3.94 0.00 2.38 1.93 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 2.38 2.45 0.00 38 K 9.29 3.71 0.00 0.79 0.74 0.00 1.26 0.00 0.00 0.70 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.97 1.19 7.81 39 M 7.95 4.06 0.00 2.38 2.34 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 40 E 8.63 3.93 0.00 2.03 1.91 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 2.29 2.31 0.00 41 L 7.88 3.90 0.00 1.70 1.57 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 M 8.66 4.00 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.69 0.00 43 L 8.37 3.83 0.00 1.78 1.76 0.94 0.75 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 44 S 8.27 4.05 0.00 3.94 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 45 Q 8.20 4.05 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 46 V 7.78 3.61 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 0.82 0.00 0.00 0.40 0.00 0.00 47 K 7.17 3.92 0.00 1.70 1.70 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.54 7.81 48 G 8.94 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 0.00 0.00 0.00 49 K 7.78 4.40 0.00 1.71 1.74 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.36 7.81 50 D 8.29 4.68 0.00 2.76 2.71 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 51 I 7.99 3.62 0.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.59 0.42 0.00 0.00 52 T 7.82 3.89 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 1.31 0.00 0.00 53 E 8.07 3.99 0.00 2.20 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 2.41 2.54 0.00 54 L 7.51 4.01 0.00 1.59 1.67 0.92 1.46 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 55 L 7.59 4.04 0.00 1.80 1.67 0.91 0.88 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 56 A 7.66 4.08 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 57 A 7.12 4.01 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 58 G 8.34 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 0.00 0.00 0.00 0.00 59 R 8.12 4.13 0.00 1.72 1.72 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00