NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2622 8.2644 123.5793 51.9166 19.7865 176.6063 3 K 3.8995 8.4326 114.8784 56.2732 29.6652 173.5985 4 D 4.3887 8.4700 121.1974 54.3659 40.8443 175.7632 5 G 4.0089 7.9755 113.9679 42.2981 0.0000 169.3949 6 P 4.0632 0.0000 0.0000 63.5894 32.2589 176.3714 7 R 4.2171 12.0000 118.8516 56.1485 30.6476 177.1901 8 I 3.3099 7.1666 122.1507 60.9434 35.8509 173.9727 9 I 4.8353 12.0000 123.9073 59.5648 37.7431 175.5401 10 V 4.4036 8.3951 127.4896 61.1505 34.8797 174.1810 11 K 4.4650 8.7250 127.4939 56.5656 33.0198 175.9001 12 M 4.7362 8.4430 122.2948 54.5158 36.6945 174.0905 13 E 4.6156 8.3849 119.1805 55.2348 31.4552 175.4277 14 S 5.4456 8.0927 112.9989 59.3871 65.2653 177.3976 15 S 4.6377 8.6119 120.6360 57.9742 64.0258 173.7036 16 A 3.6608 7.5230 121.7996 51.0040 18.0936 177.2111 17 G 3.7343 8.3397 105.7913 45.8982 0.0000 171.4148 18 T 3.2511 8.5125 115.2803 62.6305 65.5208 174.9426 19 G 3.8745 9.4078 110.8498 46.2299 0.0000 174.5679 20 F 4.8403 8.5922 117.9107 58.1971 35.7810 175.9356 21 Y 3.7829 8.4113 127.4134 56.9733 38.8856 171.8793 22 Y 5.5284 9.5635 118.5013 55.6112 38.7417 175.8741 23 T 4.5633 8.5989 125.1565 62.1708 69.4083 172.5614 24 T 4.0543 8.1211 114.5672 62.0879 69.5057 173.5838 25 T 4.1655 7.5429 109.2054 61.3462 70.9350 171.7890 26 K 4.7915 8.8527 124.1680 55.0973 35.3652 174.6372 27 N 5.1258 8.3920 117.7657 52.6304 44.4377 173.9337 28 R 5.0889 8.7898 115.8012 56.6701 30.8805 175.8613 29 R 3.6733 9.4873 121.7723 60.3201 28.6493 181.2113 30 N 3.4249 6.9774 112.5063 53.4425 41.7886 174.5027 31 T 4.3988 7.4207 110.4857 60.1902 72.0502 175.2416 32 Q 3.0303 8.3031 112.5776 56.9049 26.3576 175.7660 33 A 4.1640 8.6098 134.3341 52.7320 17.1302 180.4879 34 K 4.1588 9.3790 114.1826 56.4322 32.7330 176.9636 35 L 4.5780 10.1852 119.1974 53.0424 43.3410 176.4149 36 E 6.3000 7.8147 130.9133 56.9982 32.3970 175.4588 37 L 5.2407 7.7097 122.7762 52.9864 46.0996 175.6337 38 K 4.4308 9.1962 120.6695 56.3053 37.1575 174.3690 39 K 5.7041 8.9216 122.0296 56.2638 34.2538 177.6911 40 Y 4.2922 8.6208 123.9793 57.1862 43.3639 177.3543 41 D 5.8500 8.9558 131.5181 53.3275 39.6015 174.4106 42 P 4.4421 0.0000 0.0000 62.6778 32.2752 177.5744 43 V 3.4805 6.8915 118.6329 65.7336 31.6381 176.7299 44 A 3.8929 8.0641 123.0688 54.1435 19.8394 177.3879 45 K 4.5116 7.7094 116.3660 55.3613 34.3183 178.1516 46 K 4.6803 8.3912 124.5759 57.0389 36.9776 177.0703 47 H 4.9832 8.7929 115.0581 58.9425 26.1838 175.3939 48 V 3.7842 9.0961 122.6409 64.0086 32.1324 170.8238 49 V 3.9396 8.1378 125.9213 63.8135 31.9563 175.0880 50 F 5.3195 8.2465 120.5930 56.8046 42.0412 174.4413 51 R 4.6137 8.6041 123.1270 56.3458 31.1654 176.9132 52 E 5.0487 8.6028 118.7857 56.8010 32.5576 176.9701 53 K 4.1399 7.8811 116.8404 56.7222 32.9690 176.1744 54 K 4.0302 8.2679 121.4078 57.0751 31.9213 175.2653 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 2 A 8.26 4.26 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 3 K 8.43 3.90 0.00 1.80 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.52 7.81 4 D 8.47 4.39 0.00 2.67 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 5 G 7.98 4.01 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 0.00 0.00 0.00 6 P 0.00 4.06 0.00 2.05 2.10 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 7 R 12.00 4.22 0.00 1.91 1.85 0.00 3.12 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 8 I 7.17 3.31 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 1.41 0.75 0.93 0.00 0.00 9 I 12.00 4.84 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.90 0.00 0.00 10 V 8.40 4.40 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.92 0.00 0.00 11 K 8.72 4.47 0.00 1.65 1.68 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.45 7.81 12 M 8.44 4.74 0.00 1.85 1.90 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 2.51 2.63 0.00 13 E 8.38 4.62 0.00 1.79 1.67 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 2.04 2.20 0.00 14 S 8.09 5.45 0.00 4.44 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 15 S 8.61 4.64 0.00 3.95 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.52 3.66 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 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 18 T 8.51 3.25 4.19 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 1.19 0.00 0.00 19 G 9.41 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 20 F 8.59 4.84 0.00 2.77 2.41 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 21 Y 8.41 3.78 0.00 2.83 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 22 Y 9.56 5.53 0.00 2.97 2.51 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 23 T 8.60 4.56 4.11 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 0.00 0.00 0.00 1.37 0.00 0.00 24 T 8.12 4.05 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 1.22 0.00 0.00 25 T 7.54 4.17 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 1.13 0.00 0.00 26 K 8.85 4.79 0.00 1.62 1.73 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.42 7.81 27 N 8.39 5.13 0.00 2.75 2.66 0.00 0.00 6.72 7.54 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 28 R 8.79 5.09 0.00 1.91 2.02 0.00 3.17 0.00 0.00 3.35 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.46 0.00 29 R 9.49 3.67 0.00 1.93 2.15 0.00 3.05 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 N 6.98 3.42 0.00 2.78 3.31 0.00 0.00 6.73 7.70 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 31 T 7.42 4.40 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 32 Q 8.30 3.03 0.00 2.15 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 33 A 8.61 4.16 1.17 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 0.00 0.00 34 K 9.38 4.16 0.00 1.87 1.93 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 35 L 10.19 4.58 0.00 1.65 1.63 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.81 6.30 0.00 1.73 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 0.00 2.13 1.79 0.00 37 L 7.71 5.24 0.00 1.50 1.56 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 K 9.20 4.43 0.00 1.70 1.75 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.26 1.28 7.81 39 K 8.92 5.70 0.00 1.80 2.15 0.00 1.86 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.58 1.61 7.81 40 Y 8.62 4.29 0.00 1.43 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 41 D 8.96 5.85 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.43 2.10 0.00 4.12 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 43 V 6.89 3.48 1.84 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 0.69 0.00 0.00 1.42 0.00 0.00 44 A 8.06 3.89 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 45 K 7.71 4.51 0.00 1.86 1.25 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.48 7.81 46 K 8.39 4.68 0.00 1.73 1.47 0.00 1.84 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.38 7.81 47 H 8.79 4.98 0.00 3.51 3.35 0.00 6.05 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.10 3.78 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 0.31 0.00 0.00 0.92 0.00 0.00 49 V 8.14 3.94 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 0.94 0.00 0.00 0.93 0.00 0.00 50 F 8.25 5.32 0.00 4.12 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.60 4.61 0.00 1.79 1.87 0.00 3.08 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 52 E 8.60 5.05 0.00 1.93 2.04 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 2.23 2.20 0.00 53 K 7.88 4.14 0.00 1.74 1.78 0.00 1.97 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.70 1.49 7.81 54 K 8.27 4.03 0.00 1.57 1.54 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.18 1.40 7.81