NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3675 8.2493 123.5822 52.0886 19.7600 176.0192 3 S 4.6819 8.4283 117.0966 54.7755 66.1018 168.2934 4 V 4.4546 8.1929 120.3666 60.3951 34.9819 175.4060 5 V 4.2374 8.1307 121.4654 61.4553 33.2347 175.6166 6 I 4.3809 7.9243 123.8837 59.8104 38.8941 175.4077 7 R 4.3585 8.3895 124.0811 54.8789 32.3308 176.0337 8 N 4.0622 8.3482 113.9888 54.3502 35.7960 174.7992 9 L 4.4723 7.4296 117.8311 53.2543 44.0339 175.8835 10 S 3.9788 8.6455 118.9832 58.8223 63.6667 174.8010 11 E 3.9964 8.9432 128.3947 59.0612 29.4252 178.8677 12 A 4.0153 7.8105 121.3964 55.2849 18.4581 179.6614 13 T 3.8049 7.8576 113.8212 66.9487 68.5939 175.8230 14 H 4.1851 8.3466 120.0737 59.6469 29.7799 176.7437 15 N 4.2543 8.0514 117.2757 56.3895 38.3725 177.0081 16 A 3.9801 8.1722 122.0144 55.5666 18.4389 179.8555 17 I 3.7515 7.9676 118.1325 64.2013 37.2314 178.4762 18 K 3.9188 8.6676 120.9343 59.4303 31.9633 178.4158 19 F 4.0168 8.9531 121.5367 61.4834 39.3741 176.8218 20 R 3.9080 8.5089 118.1312 59.5684 29.8676 178.3633 21 A 3.9161 8.0940 120.3520 55.1573 18.2191 179.6230 22 R 3.7541 7.7573 115.8011 59.2253 30.1462 178.1972 23 A 3.8582 7.7667 120.0610 54.1508 18.6037 177.7459 24 A 4.2970 7.3724 118.5324 51.4775 20.0270 177.0328 25 G 4.0168 8.1786 106.9242 46.1036 0.0000 173.2898 26 R 4.6452 7.5033 116.6369 53.5192 33.9081 176.6189 27 S 4.5693 8.1022 113.9136 57.8841 65.6872 175.2863 28 T 3.8524 8.2793 119.0417 66.7487 68.1244 176.4532 29 E 3.9185 8.1885 120.4770 59.3025 29.7620 178.5167 30 A 3.9679 8.2722 121.0402 55.1935 18.3178 179.2495 31 E 3.9153 8.3115 117.8661 59.2479 29.6067 179.1654 32 I 3.6817 7.8757 119.8740 64.4808 37.2422 178.2326 33 R 3.9044 8.1452 119.1837 59.6029 29.9197 178.8545 34 L 4.0208 8.0712 119.9105 57.9594 42.1983 178.8962 35 I 3.7759 8.1604 113.2229 63.3580 37.4898 177.9079 36 L 4.0139 8.1342 122.8987 58.1184 42.1316 178.0818 37 D 4.4302 8.7243 119.0319 57.7293 40.2601 179.0936 38 N 4.3542 8.3891 116.9888 56.3670 38.6256 177.5607 39 I 3.8261 7.4560 113.5088 63.5696 37.7936 178.0879 40 A 3.9579 8.0582 122.7249 55.0738 18.0763 179.5735 41 K 3.9371 7.9597 116.1432 59.2019 32.1978 178.5855 42 A 4.1447 7.3294 119.7360 55.2586 18.4640 179.3609 43 Q 4.1998 7.9337 115.3776 58.0784 29.8510 178.2666 44 Q 4.3220 7.4595 120.7342 56.5988 26.1746 175.4605 45 T 4.1142 7.8943 120.7899 65.6477 69.3353 175.5582 46 V 4.4322 7.3459 111.3628 59.0310 35.7743 175.3685 47 R 4.4044 8.2694 122.3931 54.1461 30.4355 176.6960 48 L 4.0261 8.4411 126.1221 58.8687 42.0448 178.0430 49 G 3.7224 8.3222 104.1107 48.5952 0.0000 175.0723 50 S 4.1368 8.0438 116.6137 60.9511 62.9066 176.6947 51 M 3.9884 8.0256 120.7950 58.8125 32.0654 178.3264 52 L 3.9867 8.2313 118.9941 57.4867 41.7620 179.3863 53 A 3.9736 8.1659 120.8932 55.3526 18.3127 179.4335 54 S 4.1559 8.0198 113.4745 62.2676 62.6654 176.9224 55 I 3.7654 7.6249 122.2075 64.6195 36.7598 178.7064 56 G 3.6304 8.1908 106.4446 47.9100 0.0000 175.8379 57 Q 3.9918 8.5351 121.3492 58.7462 28.2786 178.0921 58 E 3.9841 8.7436 121.1068 58.3283 29.6954 177.8745 59 I 4.3479 7.2092 108.7313 60.0333 38.0554 176.2512 60 G 3.7631 8.0209 107.5455 45.8741 0.0000 172.9313 61 G 4.0895 8.4425 109.7551 45.5204 0.0000 173.7640 62 V 4.5121 8.0004 114.2110 59.4659 35.0015 176.1158 63 E 4.5599 8.1520 119.5675 54.5920 30.5997 175.3968 64 L 4.1379 8.0353 122.5223 54.0236 42.5702 177.0809 65 E 4.1153 8.3848 122.0371 55.9625 29.8362 175.8513 66 D 4.2299 8.1498 121.5611 54.6258 41.7521 175.7063 67 V 3.0946 7.3829 125.2266 61.6631 29.0215 170.0145 68 R 4.7149 7.8311 122.1169 55.0752 32.5372 174.1927 69 G 3.8646 8.8778 113.9612 46.0543 0.0000 172.2475 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 8.25 4.37 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 S 8.43 4.68 0.00 4.01 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 4 V 8.19 4.45 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 5 V 8.13 4.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 6 I 7.92 4.38 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 1.41 0.65 0.90 0.00 0.00 7 R 8.39 4.36 0.00 1.76 1.85 0.00 3.40 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 8 N 8.35 4.06 0.00 2.82 2.83 0.00 0.00 6.75 7.85 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 9 L 7.43 4.47 0.00 1.54 1.52 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.65 3.98 0.00 3.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.94 4.00 0.00 2.13 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 2.39 2.46 0.00 12 A 7.81 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 13 T 7.86 3.80 4.43 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 1.23 0.00 0.00 14 H 8.35 4.19 0.00 3.30 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.05 4.25 0.00 2.93 2.87 0.00 0.00 7.00 8.65 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 16 A 8.17 3.98 1.41 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 17 I 7.97 3.75 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.22 0.95 0.00 0.00 18 K 8.67 3.92 0.00 1.89 1.93 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.42 7.81 19 F 8.95 4.02 0.00 3.22 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 20 R 8.51 3.91 0.00 2.02 2.13 0.00 3.18 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 21 A 8.09 3.92 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 22 R 7.76 3.75 0.00 1.85 1.84 0.00 3.24 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 23 A 7.77 3.86 1.04 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 0.00 0.00 24 A 7.37 4.30 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 25 G 8.18 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 0.00 0.00 0.00 26 R 7.50 4.65 0.00 1.79 1.82 0.00 3.41 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 27 S 8.10 4.57 0.00 4.04 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 28 T 8.28 3.85 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 1.26 0.00 0.00 29 E 8.19 3.92 0.00 2.04 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 2.38 2.38 0.00 30 A 8.27 3.97 1.34 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 31 E 8.31 3.92 0.00 2.19 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 0.00 2.31 2.40 0.00 32 I 7.88 3.68 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 1.80 0.72 0.92 0.00 0.00 33 R 8.15 3.90 0.00 2.11 2.01 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 34 L 8.07 4.02 0.00 1.77 1.79 0.94 0.78 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 35 I 8.16 3.78 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 1.66 0.66 0.95 0.00 0.00 36 L 8.13 4.01 0.00 2.11 1.69 0.92 1.23 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 37 D 8.72 4.43 0.00 2.87 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 38 N 8.39 4.35 0.00 2.85 2.87 0.00 0.00 6.74 6.85 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 39 I 7.46 3.83 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 1.74 0.82 1.00 0.00 0.00 40 A 8.06 3.96 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 41 K 7.96 3.94 0.00 1.91 1.98 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 42 A 7.33 4.14 1.34 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 43 Q 7.93 4.20 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.28 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 44 Q 7.46 4.32 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 45 T 7.89 4.11 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 46 V 7.35 4.43 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 47 R 8.27 4.40 0.00 1.83 1.87 0.00 3.15 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.65 0.00 48 L 8.44 4.03 0.00 1.75 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.32 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 0.00 0.00 0.00 50 S 8.04 4.14 0.00 3.87 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 51 M 8.03 3.99 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 52 L 8.23 3.99 0.00 1.84 1.70 0.92 0.86 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 53 A 8.17 3.97 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 54 S 8.02 4.16 0.00 4.06 3.94 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 0.00 0.00 0.00 55 I 7.62 3.77 2.05 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 1.64 1.41 0.91 0.00 0.00 56 G 8.19 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.54 3.99 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.69 2.32 0.00 58 E 8.74 3.98 0.00 1.94 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 0.00 2.32 2.32 0.00 59 I 7.21 4.35 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 1.79 0.92 0.91 0.00 0.00 60 G 8.02 3.76 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 0.00 0.00 0.00 61 G 8.44 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 0.00 0.00 0.00 62 V 8.00 4.51 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 63 E 8.15 4.56 0.00 1.89 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 2.20 2.26 0.00 64 L 8.04 4.14 0.00 1.63 1.60 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.38 4.12 0.00 1.92 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 2.29 2.30 0.00 66 D 8.15 4.23 0.00 2.67 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 3.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 68 R 7.83 4.71 0.00 1.82 1.97 0.00 3.30 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.39 0.00 69 G 8.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00