NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 56 K 4.2700 8.3149 122.1424 54.5179 32.5094 174.4724 57 R 4.3317 7.7788 124.1369 53.5641 32.4847 174.5871 58 N 4.7716 8.6323 117.5214 51.7842 39.9829 171.9119 59 R 4.6377 8.3654 124.1425 54.0828 32.0877 175.0211 60 I 4.4717 8.1758 125.7041 58.4955 39.2718 173.5836 61 P 4.2588 0.0000 0.0000 63.5066 31.5705 176.0583 62 L 4.6099 8.4596 119.8557 54.7645 42.6673 176.9434 63 R 4.5959 7.6689 117.8942 54.7676 31.4379 175.9447 64 C 3.9539 8.3854 115.3214 57.9056 30.1959 174.9670 65 T 3.6547 7.7943 112.6405 64.7173 68.0809 175.3565 66 I 3.7782 6.7987 123.8492 64.1912 37.3076 177.2577 67 C 4.6713 7.7389 112.8098 58.7674 29.7233 175.0937 68 R 4.4099 7.8285 122.1199 57.6551 31.6176 177.6755 69 K 3.9914 8.0820 118.8087 59.0096 32.2668 177.7245 70 R 4.1251 7.9269 114.8364 56.1131 30.2377 176.0528 71 K 3.8329 7.2686 116.2978 57.6205 30.3676 174.8471 72 V 4.4584 7.0492 111.5864 59.4863 34.2879 174.6243 73 K 4.2353 8.4622 121.9915 55.9716 32.4733 175.8302 74 C 4.4657 8.5722 127.2574 57.6143 32.3024 172.7204 75 D 4.6828 8.5345 127.6564 52.1908 38.5485 178.7395 76 K 4.6488 8.3654 130.3833 55.5437 31.0995 177.7579 77 L 4.1697 8.9121 121.2476 55.1774 42.8346 175.9828 78 R 4.9072 8.0854 122.2179 53.6141 33.3594 174.3559 79 P 4.4446 0.0000 0.0000 64.9031 31.8130 176.1561 80 H 4.9732 7.8436 115.7757 53.3829 31.8331 172.8459 81 C 4.2633 8.3661 118.3129 58.5373 30.0891 174.5753 82 Q 3.9461 9.6209 123.9855 59.7409 28.3434 178.9068 83 Q 3.9754 8.4328 120.3431 59.2468 28.9577 178.3342 84 C 4.0728 8.1626 117.6087 62.9748 28.2153 175.8002 85 T 3.8604 7.9967 115.4314 67.0032 68.0074 176.0398 86 K 4.2243 8.1324 119.5366 58.5188 32.1916 177.5180 87 T 4.3803 7.2770 107.9135 61.5936 69.1845 175.1018 88 G 4.0143 8.3651 107.2487 47.5072 0.0000 174.8903 89 V 4.4156 7.5241 111.0588 59.7996 32.5769 177.5918 90 A 3.8053 8.0882 123.8023 56.3943 18.4358 179.6994 91 H 4.0811 7.7851 108.6432 56.6741 28.6886 176.1469 92 L 4.4401 7.5152 118.6249 54.5410 41.9811 175.6503 93 C 4.4315 7.7243 121.3370 58.8403 32.0849 172.3899 94 H 4.9517 8.1832 120.3205 54.5293 31.8844 171.5210 95 Y 4.9385 8.4200 116.7551 56.1419 40.1903 175.9235 96 M 4.2067 8.7122 122.9095 55.2023 32.8014 176.0927 97 E 4.0074 8.5326 122.1747 56.3846 30.2802 176.7810 98 Q 4.0642 7.9774 122.5832 54.8064 29.9224 177.1988 99 T 3.8254 7.9667 117.7788 65.8899 68.6831 175.4585 100 W 4.6308 7.2921 115.6975 56.6784 28.9052 176.2255 101 A 4.7969 7.3676 122.3443 52.0761 18.4348 177.9999 102 E 3.8973 7.7737 119.5832 60.6855 29.3878 178.2952 103 E 3.9216 8.1411 117.0484 59.5745 29.9137 178.9241 104 A 4.0010 8.1632 119.9919 55.7022 18.4227 179.2250 105 E 3.8978 8.6535 117.5461 59.2064 29.6848 178.9608 106 K 4.0012 8.4079 120.1226 59.4085 32.2039 178.6190 107 E 4.0689 8.5132 118.8862 58.7131 29.5050 178.8669 108 L 3.9644 7.7950 120.8410 57.8343 42.1058 179.0561 109 L 3.9858 7.7319 118.5694 57.5778 41.6657 179.1436 110 K 3.8562 8.0658 118.4370 59.8491 32.1907 178.5317 111 D 4.3947 8.2072 118.7412 58.0162 40.9076 179.0419 112 N 4.3593 8.0839 115.9011 56.1978 38.3995 177.2505 113 E 3.9275 8.2702 120.8256 59.1002 29.8517 178.4115 114 L 3.7657 8.0536 120.4531 57.8494 42.1713 178.8944 115 K 3.8787 7.9441 119.1933 59.4972 32.2716 179.0017 116 K 4.1385 7.9428 118.5303 59.5983 32.0259 179.4328 117 L 4.0471 8.6359 119.8188 57.7016 41.4612 180.0006 118 R 3.9421 7.8967 118.4516 59.1290 29.8053 178.7035 119 E 4.1708 8.0909 116.3747 58.5231 29.6433 179.1353 120 R 3.9017 7.8864 120.3994 59.4268 30.3309 178.1492 121 V 3.6849 7.7323 118.0205 66.2246 31.4488 177.8859 122 K 3.9696 7.7502 116.9555 59.4059 31.9509 179.1880 123 S 4.2086 7.8727 113.8559 61.6533 62.7096 176.5399 124 L 4.0214 8.5208 123.0492 57.2721 41.1925 178.4947 125 E 4.4967 8.0092 114.3014 56.6631 29.7523 177.4762 126 K 4.4026 7.3915 119.1857 58.5849 34.2655 178.4843 127 T 4.0014 7.6782 116.6737 66.6278 68.3210 176.5399 128 L 4.0555 7.8850 119.2028 56.7606 43.0339 178.1826 129 S 4.3046 7.7466 116.8421 60.8436 61.6428 174.4122 130 K 4.4025 7.5721 123.0318 56.9053 31.8841 175.2052 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 56 K 8.31 4.27 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 57 R 7.78 4.33 0.00 1.89 1.93 0.00 3.13 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 58 N 8.63 4.77 0.00 2.65 2.74 0.00 0.00 6.71 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 59 R 8.37 4.64 0.00 1.82 1.82 0.00 3.29 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 60 I 8.18 4.47 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.74 0.87 0.00 0.00 61 P 0.00 4.26 0.00 2.06 2.05 0.00 3.66 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 2.05 2.16 0.00 62 L 8.46 4.61 0.00 1.70 1.77 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.67 4.60 0.00 1.83 1.89 0.00 3.23 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 64 C 8.39 3.95 0.00 2.54 2.25 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 65 T 7.79 3.65 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 66 I 6.80 3.78 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.57 0.86 0.00 0.00 67 C 7.74 4.67 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.83 4.41 0.00 1.93 2.05 0.00 3.32 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 69 K 8.08 3.99 0.00 1.99 1.82 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.39 7.81 70 R 7.93 4.13 0.00 1.83 1.95 0.00 3.39 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 71 K 7.27 3.83 0.00 1.86 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.39 7.81 72 V 7.05 4.46 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 0.70 0.00 0.00 0.98 0.00 0.00 73 K 8.46 4.24 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 74 C 8.57 4.47 0.00 3.00 2.89 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 75 D 8.53 4.68 0.00 2.89 2.86 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 76 K 8.37 4.65 0.00 1.73 1.71 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.63 7.81 77 L 8.91 4.17 0.00 1.46 1.73 0.93 0.88 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 78 R 8.09 4.91 0.00 1.75 1.75 0.00 3.22 0.00 0.00 2.98 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.36 0.00 79 P 0.00 4.44 0.00 1.89 2.13 0.00 3.70 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 1.84 1.95 0.00 80 H 7.84 4.97 0.00 3.12 3.26 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 8.37 4.26 0.00 3.64 3.26 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 82 Q 9.62 3.95 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 83 Q 8.43 3.98 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 84 C 8.16 4.07 0.00 3.13 3.07 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 0.00 0.00 0.00 0.00 85 T 8.00 3.86 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 1.21 0.00 0.00 86 K 8.13 4.22 0.00 1.73 1.86 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.67 7.81 87 T 7.28 4.38 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 1.26 0.00 0.00 88 G 8.37 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 89 V 7.52 4.42 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 0.90 0.00 0.00 0.93 0.00 0.00 90 A 8.09 3.81 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 H 7.79 4.08 0.00 3.13 3.30 0.00 5.69 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.52 4.44 0.00 1.61 1.66 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.72 4.43 0.00 2.91 3.03 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 94 H 8.18 4.95 0.00 3.16 3.31 0.00 5.46 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 8.42 4.94 0.00 2.83 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 M 8.71 4.21 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 97 E 8.53 4.01 0.00 1.90 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 98 Q 7.98 4.06 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.91 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 99 T 7.97 3.83 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 1.23 0.00 0.00 100 W 7.29 4.63 0.00 3.44 3.18 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 0.00 0.00 0.00 101 A 7.37 4.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.77 3.90 0.00 2.29 1.89 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 2.37 2.46 0.00 103 E 8.14 3.92 0.00 2.12 2.02 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 2.43 2.47 0.00 104 A 8.16 4.00 1.42 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 0.00 0.00 105 E 8.65 3.90 0.00 2.27 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 2.28 2.35 0.00 106 K 8.41 4.00 0.00 1.89 1.92 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 107 E 8.51 4.07 0.00 2.21 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 2.33 2.31 0.00 108 L 7.79 3.96 0.00 1.87 1.89 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 109 L 7.73 3.99 0.00 1.99 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.07 3.86 0.00 1.95 1.88 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.67 7.81 111 D 8.21 4.39 0.00 2.96 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.08 4.36 0.00 2.96 2.88 0.00 0.00 6.79 7.43 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 0.00 113 E 8.27 3.93 0.00 2.19 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 0.00 2.30 2.31 0.00 114 L 8.05 3.77 0.00 1.85 1.65 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 115 K 7.94 3.88 0.00 2.00 1.98 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 116 K 7.94 4.14 0.00 1.92 1.84 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.63 7.81 117 L 8.64 4.05 0.00 1.73 1.72 0.97 0.64 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 0.00 118 R 7.90 3.94 0.00 2.14 1.97 0.00 3.12 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 119 E 8.09 4.17 0.00 2.23 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 0.00 2.52 2.31 0.00 120 R 7.89 3.90 0.00 1.95 2.19 0.00 3.11 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 1.62 1.63 0.00 121 V 7.73 3.68 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 1.03 0.00 0.00 0.93 0.00 0.00 122 K 7.75 3.97 0.00 2.06 1.82 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.59 7.81 123 S 7.87 4.21 0.00 4.05 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.52 4.02 0.00 1.87 1.76 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.01 4.50 0.00 2.13 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 2.65 2.31 0.00 126 K 7.39 4.40 0.00 2.02 1.95 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.44 7.81 127 T 7.68 4.00 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 1.21 0.00 0.00 128 L 7.88 4.06 0.00 1.68 1.76 0.92 1.27 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 0.00 129 S 7.75 4.30 0.00 4.13 3.84 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 0.00 0.00 0.00 0.00 130 K 7.57 4.40 0.00 1.80 1.94 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.48 7.81