NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 M 4.3713 8.3001 120.3489 55.5744 32.6991 174.7112 26 A 4.5257 8.0191 126.8820 48.4462 23.7005 173.4920 27 P 4.1586 0.0000 0.0000 66.2720 31.5237 177.3049 28 E 3.9862 8.2078 115.1784 58.5852 29.6590 178.4268 29 R 4.3636 7.7821 117.2938 57.5406 31.1665 177.9243 30 L 3.9237 8.0294 120.3645 58.3077 41.9720 179.0801 31 R 3.9405 8.2072 118.0577 59.6741 30.1674 179.2307 32 S 4.1350 8.0232 114.0583 61.5768 62.7588 176.8064 33 R 3.9266 8.0001 120.4610 59.2769 30.0105 179.0722 34 A 4.1007 8.4339 120.9004 55.1171 18.4037 179.6305 35 L 4.1276 8.2748 117.8183 58.2158 41.6492 179.9222 36 S 4.1686 8.0904 114.3230 61.5285 61.4069 176.6221 37 A 3.9694 7.9125 123.6054 55.2300 18.2406 179.7784 38 F 4.1674 8.0700 115.0554 60.5809 39.0014 178.0979 39 K 4.2794 8.3110 119.5430 58.9760 31.6260 179.3571 40 L 4.0934 8.1225 118.3849 57.0775 41.5769 178.6988 41 R 4.4183 7.3981 115.7536 55.6542 30.5989 177.2391 42 G 3.9399 8.0427 107.7952 44.9574 0.0000 173.6522 43 L 4.7035 7.6733 119.7176 54.1184 43.7605 175.5119 44 L 5.0500 8.9925 119.3281 53.0690 46.2627 175.7307 45 L 4.8963 8.1211 121.6011 53.1246 44.7523 176.3668 46 R 3.9929 8.8171 125.5600 56.3629 30.5402 178.2638 47 G 3.5609 8.7569 107.9735 47.8387 0.0000 175.9479 48 E 4.0958 8.1559 119.1389 58.8287 29.8151 178.9363 49 A 4.0089 7.7074 121.4567 54.7409 18.7331 179.0552 50 I 3.5482 7.9522 117.5330 64.1255 38.0670 177.9290 51 K 3.8860 7.7268 119.4053 59.5836 32.0499 177.9303 52 Y 3.9254 7.8477 119.8084 60.7801 38.7991 178.2405 53 L 4.1724 8.1663 120.2452 58.7164 40.4540 179.1871 54 T 3.8819 7.9680 116.6111 66.6702 68.2161 176.0511 55 E 4.0541 8.2832 120.3057 59.1898 29.2782 179.1911 56 A 4.0529 7.7157 119.7850 53.9123 18.6567 178.0518 57 L 4.5622 7.6386 115.5695 54.3784 42.4337 177.9023 58 Q 3.9769 7.6310 120.5690 58.6838 28.8675 177.5645 59 S 4.7114 7.7734 109.9419 57.8803 63.9851 174.0834 60 I 3.9097 7.5511 122.1798 60.7232 37.5931 176.2431 61 S 4.1667 8.7031 120.0734 58.8678 63.1449 175.4901 62 E 3.9586 8.9492 123.4889 59.0215 29.2937 177.7729 63 L 4.3393 7.8195 116.6482 56.2278 41.2447 177.0842 64 E 4.5699 8.0684 118.4814 56.0636 30.7152 177.2845 65 L 3.9248 7.8523 121.1864 58.1317 42.1947 178.3103 66 E 3.9047 8.0585 118.6492 59.4062 29.5347 178.1370 67 D 4.3235 7.9687 116.3446 56.9197 41.5838 177.7747 68 K 4.0558 8.3262 120.5368 59.5404 32.3578 178.7362 69 L 4.0321 8.0026 120.4087 57.9278 41.8916 178.4419 70 E 3.8819 8.1177 119.2174 58.9355 29.0853 178.8674 71 K 4.0274 8.0856 118.7303 58.9664 31.9754 179.4897 72 I 3.7978 7.5393 119.8976 64.4740 37.2060 178.1238 73 I 3.5052 7.4676 120.5857 64.5816 36.6851 178.2975 74 N 4.3067 8.1134 115.6160 55.8553 38.5576 176.8984 75 A 4.2139 7.5611 121.1471 54.7163 18.9433 179.5603 76 V 3.6104 7.9946 116.8927 66.2674 31.4070 177.7304 77 E 4.2977 8.2855 116.3473 57.6437 29.2587 177.4358 78 K 4.5744 7.7756 116.5007 56.2482 33.5608 175.9014 79 Q 4.5734 7.8607 119.0903 53.6690 30.4660 173.1794 80 P 4.4143 0.0000 0.0000 62.6225 31.8438 175.6022 81 L 4.5647 8.0044 121.7318 55.0733 42.9760 174.9848 82 S 4.6387 8.3589 109.6684 57.7925 64.4182 173.2603 83 S 4.6111 7.5950 113.7701 57.2358 65.0483 173.3786 84 N 4.5887 8.6386 120.4504 54.2788 38.4527 174.0903 85 M 4.6668 7.7286 120.7117 55.0081 32.3069 175.6143 86 I 4.2460 8.8113 128.8599 60.8969 38.9347 175.1776 87 E 4.9080 8.3921 122.3253 53.8171 33.2237 176.6110 88 R 3.6683 8.6388 119.4224 59.8129 29.2716 178.2841 89 S 4.0651 7.9670 112.1612 61.2591 62.2765 176.3145 90 V 3.5644 7.5351 120.4856 65.9550 31.4014 178.1039 91 V 3.6194 7.6797 118.0413 65.8817 31.1446 177.5190 92 E 3.5094 8.0976 118.1551 58.2475 29.1682 177.6761 93 A 4.4655 7.3134 116.5635 53.5736 19.5803 178.8386 94 A 4.2307 8.3559 121.0575 54.6539 18.5599 180.1429 95 V 3.7927 8.2394 119.5165 64.5739 31.0764 178.6755 96 Q 4.0727 7.6267 116.7326 58.8269 28.5601 178.1691 97 E 4.1951 7.8066 118.5027 58.9919 29.5254 178.9786 98 S 4.2841 7.9702 113.6765 60.6737 63.0855 174.1402 99 S 4.2569 7.7455 121.0114 58.6848 62.0967 173.5165 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 25 M 8.30 4.37 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 26 A 8.02 4.53 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 27 P 0.00 4.16 0.00 2.16 2.14 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 28 E 8.21 3.99 0.00 1.94 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 2.32 2.40 0.00 29 R 7.78 4.36 0.00 1.96 1.96 0.00 3.14 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 30 L 8.03 3.92 0.00 1.87 1.79 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.21 3.94 0.00 1.93 1.99 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 32 S 8.02 4.13 0.00 4.01 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 33 R 8.00 3.93 0.00 2.05 2.00 0.00 3.30 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 34 A 8.43 4.10 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 35 L 8.27 4.13 0.00 1.72 1.77 0.93 1.15 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 36 S 8.09 4.17 0.00 4.08 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 37 A 7.91 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.07 4.17 0.00 3.38 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.28 0.00 1.99 1.90 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.58 7.81 40 L 8.12 4.09 0.00 1.76 1.73 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.40 4.42 0.00 1.93 1.93 0.00 3.17 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 42 G 8.04 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 0.00 0.00 0.00 43 L 7.67 4.70 0.00 2.06 1.83 1.04 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.99 5.05 0.00 1.52 1.48 0.92 0.47 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 45 L 8.12 4.90 0.00 1.06 1.25 0.36 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.82 3.99 0.00 1.77 1.99 0.00 3.31 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 47 G 8.76 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.16 4.10 0.00 2.18 2.22 0.00 0.00 0.00 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 2.29 0.00 49 A 7.71 4.01 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 50 I 7.95 3.55 1.81 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 1.41 1.43 0.96 0.00 0.00 51 K 7.73 3.89 0.00 2.00 1.97 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 52 Y 7.85 3.93 0.00 3.23 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.17 0.00 2.10 2.11 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.97 3.88 4.42 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 1.21 0.00 0.00 55 E 8.28 4.05 0.00 2.00 1.87 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 2.28 2.41 0.00 56 A 7.72 4.05 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.56 0.00 1.79 1.67 0.98 0.73 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 58 Q 7.63 3.98 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 59 S 7.77 4.71 0.00 3.85 3.82 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 60 I 7.55 3.91 2.04 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 1.30 0.74 0.91 0.00 0.00 61 S 8.70 4.17 0.00 3.94 3.81 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 0.00 0.00 0.00 62 E 8.95 3.96 0.00 2.07 2.10 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 2.28 2.31 0.00 63 L 7.82 4.34 0.00 1.77 1.82 0.92 0.54 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 64 E 8.07 4.57 0.00 2.12 1.97 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 2.22 2.26 0.00 65 L 7.85 3.92 0.00 1.88 1.68 0.94 0.88 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 66 E 8.06 3.90 0.00 2.07 1.92 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 2.35 2.35 0.00 67 D 7.97 4.32 0.00 2.68 2.80 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 68 K 8.33 4.06 0.00 1.95 1.99 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.50 7.81 69 L 8.00 4.03 0.00 1.91 1.69 1.08 0.53 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 70 E 8.12 3.88 0.00 2.19 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 0.00 2.26 2.28 0.00 71 K 8.09 4.03 0.00 1.98 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.62 7.81 72 I 7.54 3.80 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.62 1.10 0.00 0.00 73 I 7.47 3.51 1.76 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 -0.06 0.72 0.00 0.00 74 N 8.11 4.31 0.00 2.76 2.87 0.00 0.00 7.28 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 75 A 7.56 4.21 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 76 V 7.99 3.61 2.29 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 1.10 0.00 0.00 1.17 0.00 0.00 77 E 8.29 4.30 0.00 2.12 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 2.43 2.44 0.00 78 K 7.78 4.57 0.00 1.82 1.83 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.39 7.81 79 Q 7.86 4.57 0.00 2.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 7.29 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 80 P 0.00 4.41 0.00 2.17 2.06 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 81 L 8.00 4.56 0.00 1.71 1.65 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.36 4.64 0.00 3.93 3.91 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 0.00 0.00 0.00 83 S 7.60 4.61 0.00 3.80 3.71 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 84 N 8.64 4.59 0.00 2.84 3.06 0.00 0.00 5.98 7.67 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 85 M 7.73 4.67 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 86 I 8.81 4.25 1.69 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.88 0.86 0.00 0.00 87 E 8.39 4.91 0.00 1.93 1.96 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 2.20 2.20 0.00 88 R 8.64 3.67 0.00 1.83 1.89 0.00 3.26 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.00 89 S 7.97 4.07 0.00 3.86 3.90 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 90 V 7.54 3.56 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 0.95 0.00 0.00 0.91 0.00 0.00 91 V 7.68 3.62 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 1.28 0.00 0.00 0.94 0.00 0.00 92 E 8.10 3.51 0.00 1.51 1.73 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 2.26 2.19 0.00 93 A 7.31 4.47 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 94 A 8.36 4.23 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 95 V 8.24 3.79 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.03 0.00 0.00 96 Q 7.63 4.07 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 7.13 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 97 E 7.81 4.20 0.00 2.12 2.01 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 2.36 2.46 0.00 98 S 7.97 4.28 0.00 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.75 4.26 0.00 4.04 3.90 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