NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5218 8.1633 120.2713 54.5958 34.9481 174.4471 2 E 4.8643 9.1080 119.1058 54.0034 33.3487 173.3633 3 A 5.0648 8.7455 123.0889 50.6208 24.0083 174.3632 4 I 4.9575 8.1498 117.9941 58.8094 41.6685 174.4565 5 A 4.0706 8.3451 131.0125 52.0234 18.5938 178.0075 6 K 4.0778 8.5995 124.5973 58.5134 33.0700 175.5325 7 H 4.8875 7.8386 114.4022 55.0853 33.1207 172.1081 8 D 4.7660 8.3657 118.9556 54.1369 42.2390 175.3881 9 F 4.9005 8.9928 126.8796 56.3778 42.9348 173.0994 10 S 4.3813 8.4931 119.7222 55.5960 65.2082 173.6514 11 A 4.2483 7.2243 125.0186 52.9081 18.5280 177.4201 12 T 4.3819 9.8345 117.7302 63.1330 68.9373 173.8145 13 A 4.5569 7.1799 123.8318 50.5569 22.2604 177.0964 14 D 4.3034 8.5663 118.8646 57.1310 41.5953 176.5491 15 D 4.7645 7.9064 117.5112 53.9909 41.0480 175.2456 16 E 5.0875 7.4691 118.9958 54.6029 32.4693 174.7329 17 L 5.2044 9.2667 122.6700 54.1093 45.2445 175.6772 18 S 3.9817 8.4228 114.3483 58.5256 67.0815 173.5736 19 F 4.8917 8.0148 115.4843 56.4581 41.5002 172.6386 20 R 5.1080 8.5252 119.4799 53.7496 33.5003 174.9980 21 K 4.2139 8.6496 122.6206 58.7666 32.7273 177.1603 22 G 3.9468 9.0128 112.0131 45.0413 0.0000 173.4151 23 Q 4.2688 7.8581 120.9463 55.8473 30.8242 174.9140 24 I 4.5872 8.2216 124.2530 59.6170 38.7308 174.9487 25 L 4.5523 8.3696 128.5890 54.2158 42.8732 175.5312 26 K 4.6351 8.3542 123.4105 55.4303 33.5808 175.4390 27 I 4.3208 8.1540 129.0505 61.2259 37.3509 175.6037 28 L 4.6407 8.5606 124.2498 55.8341 45.0872 176.7872 29 N 4.9049 8.1721 117.3471 52.4837 42.7154 174.7935 30 M 4.1567 8.7919 122.4318 54.7405 32.8904 175.8361 31 E 4.1091 8.4886 121.1753 57.8903 28.5787 174.7769 32 D 4.6827 8.9009 116.2162 53.6348 41.3340 174.4153 33 D 4.6739 8.9841 117.4961 54.1471 39.6913 173.7275 34 S 4.2096 7.3371 122.8759 57.8655 66.7857 175.6255 35 N 4.1230 8.6692 120.1414 55.6623 39.6168 174.9532 36 W 5.3774 7.8535 117.9263 55.1599 31.4308 175.1144 37 Y 5.3014 9.5410 121.5787 56.3069 41.6371 174.3721 38 R 5.1044 8.9679 119.5718 54.9486 33.3135 173.9430 39 A 5.3188 8.9985 126.8041 50.5135 23.7847 173.4678 40 E 5.1443 9.3191 119.2659 54.5575 32.5632 174.6903 41 L 4.7825 9.0427 128.3429 54.0531 45.9482 175.7556 42 D 4.4402 9.7685 125.6273 55.5896 38.3823 174.2091 43 G 3.9656 8.5179 102.7914 46.0938 0.0000 173.8923 44 K 4.7056 8.0912 118.5510 54.1760 35.3687 174.9666 45 E 5.0855 8.7996 124.3305 54.3199 32.0968 175.1493 46 G 4.4080 7.8883 113.0780 45.7863 0.0000 172.4668 47 L 5.1341 8.0566 122.5034 55.8056 42.2319 175.7818 48 I 4.6547 9.3044 113.1092 58.5312 41.8442 172.6133 49 P 4.7127 0.0000 0.0000 62.0648 31.6567 176.7499 50 S 3.6643 8.5342 119.7820 61.1729 62.1911 175.7317 51 N 4.2994 7.7164 116.4801 55.6666 38.8939 174.4973 52 Y 5.0222 8.1994 115.4869 58.2552 38.2288 174.2575 53 I 5.0599 7.5216 113.5737 59.2790 41.6533 174.4088 54 E 4.7075 8.6317 119.4014 54.6611 32.8941 174.3809 55 M 3.9641 8.9246 123.3930 58.0124 32.5879 172.7421 56 K 3.9941 9.2522 125.2539 56.0335 33.6317 176.0470 57 N 4.7833 10.1829 116.9597 51.8733 37.2942 173.6574 58 H 4.3966 7.1109 112.8797 56.1094 32.5078 173.6844 59 D 4.5372 8.6725 120.0228 54.5777 40.7515 176.6786 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 4.52 0.00 1.97 2.15 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 2 E 9.11 4.86 0.00 2.00 1.75 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 2.17 2.30 0.00 3 A 8.75 5.06 1.19 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 0.00 0.00 4 I 8.15 4.96 1.83 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 1.39 1.71 0.93 0.00 0.00 5 A 8.35 4.07 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 6 K 8.60 4.08 0.00 1.82 1.75 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.58 7.81 7 H 7.84 4.89 0.00 3.14 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.37 4.77 0.00 2.62 2.45 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 9 F 8.99 4.90 0.00 2.39 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 10 S 8.49 4.38 0.00 3.69 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.22 4.25 1.27 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 0.00 0.00 0.00 12 T 9.83 4.38 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 1.29 0.00 0.00 13 A 7.18 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.57 4.30 0.00 2.60 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 15 D 7.91 4.76 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 5.09 0.00 1.79 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 2.62 2.69 0.00 17 L 9.27 5.20 0.00 1.96 1.74 1.14 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.42 3.98 0.00 3.46 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 4.89 0.00 3.13 3.25 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 0.00 20 R 8.53 5.11 0.00 1.93 1.83 0.00 3.19 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 21 K 8.65 4.21 0.00 1.92 1.86 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.41 7.81 22 G 9.01 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.86 4.27 0.00 2.40 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 24 I 8.22 4.59 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.73 0.94 0.00 0.00 25 L 8.37 4.55 0.00 1.76 1.70 0.85 -0.33 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 26 K 8.35 4.64 0.00 1.87 1.82 0.00 1.50 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 27 I 8.15 4.32 1.79 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 1.28 0.85 0.72 0.00 0.00 28 L 8.56 4.64 0.00 1.57 1.64 1.12 0.96 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 29 N 8.17 4.90 0.00 2.77 2.61 0.00 0.00 6.95 8.99 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 30 M 8.79 4.16 0.00 1.64 1.87 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 2.59 2.45 0.00 31 E 8.49 4.11 0.00 2.31 1.72 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 2.31 2.39 0.00 32 D 8.90 4.68 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.98 4.67 0.00 2.94 2.85 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 34 S 7.34 4.21 0.00 3.87 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 35 N 8.67 4.12 0.00 2.17 1.80 0.00 0.00 6.15 7.37 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 36 W 7.85 5.38 0.00 3.19 3.04 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 37 Y 9.54 5.30 0.00 2.96 2.83 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 38 R 8.97 5.10 0.00 1.93 1.89 0.00 3.10 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 39 A 9.00 5.32 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 40 E 9.32 5.14 0.00 1.99 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 0.00 2.36 2.23 0.00 41 L 9.04 4.78 0.00 1.71 1.50 0.95 1.25 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 42 D 9.77 4.44 0.00 2.86 2.73 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 43 G 8.52 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.09 4.71 0.00 1.99 1.69 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.39 7.81 45 E 8.80 5.09 0.00 1.98 1.83 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 2.23 2.33 0.00 46 G 7.89 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 5.13 0.00 2.07 1.94 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 48 I 9.30 4.65 2.20 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.16 1.46 0.00 0.00 49 P 0.00 4.71 0.00 2.10 2.48 0.00 2.46 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.62 0.00 50 S 8.53 3.66 0.00 3.34 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.72 4.30 0.00 2.44 2.51 0.00 0.00 6.71 7.40 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 52 Y 8.20 5.02 0.00 3.32 3.25 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 0.00 53 I 7.52 5.06 1.79 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.81 0.66 0.00 0.00 54 E 8.63 4.71 0.00 1.93 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 0.00 2.17 2.40 0.00 55 M 8.92 3.96 0.00 2.05 2.07 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 2.56 0.00 56 K 9.25 3.99 0.00 1.73 1.44 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.36 7.81 57 N 10.18 4.78 0.00 2.93 3.03 0.00 0.00 6.62 8.23 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 58 H 7.11 4.40 0.00 3.09 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.67 4.54 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00