NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9171 8.3549 109.7350 44.6136 0.0000 175.0742 2 P 4.1379 0.0000 0.0000 61.0776 32.7646 174.4685 3 M 4.0702 9.1814 121.6839 54.9124 33.2618 174.2617 4 P 4.3614 0.0000 0.0000 61.9730 32.2105 176.5807 5 K 3.6641 8.3219 120.9110 56.4892 32.5329 177.4537 6 L 3.6236 6.0482 120.9819 57.3469 41.7644 176.9106 7 A 4.4487 6.7139 118.0384 51.3407 21.9648 175.3836 8 D 4.6871 8.6064 118.7311 55.8513 41.9371 176.8436 9 R 5.3685 7.6442 116.1535 54.5163 35.1791 174.1453 10 K 5.0968 9.2449 119.0544 55.8833 36.8719 174.5520 11 L 5.2691 9.1559 121.1224 53.4950 44.0962 175.2969 12 C 5.5000 9.1225 119.6827 55.0098 44.6158 174.8280 13 A 3.9932 9.0013 121.2939 53.7152 18.5969 176.8934 14 D 4.6509 7.6603 113.4234 52.2557 41.8688 176.2069 15 Q 3.9418 8.9913 121.5946 59.7604 28.6449 178.8352 16 E 4.2727 8.2981 110.5849 55.6054 30.3321 179.0556 17 C 4.4132 8.1728 114.5178 59.0568 38.3052 174.1231 18 S 4.3576 8.4987 113.7663 58.9247 63.8913 173.7281 19 H 4.9584 8.4665 118.8702 53.2044 30.1187 173.1019 20 P 3.5884 0.0000 0.0000 62.4855 32.2606 176.5528 21 I 4.0382 8.7902 122.8913 63.6606 37.9942 175.9798 22 S 4.8617 7.5888 114.0277 57.4398 66.6467 172.1846 23 M 4.3429 8.5885 120.4608 53.7373 33.9253 174.5827 24 A 5.1594 8.8082 126.7004 50.2053 23.6866 174.4723 25 V 4.7530 8.4415 118.6838 60.7244 34.5255 174.8960 26 A 4.5706 9.1677 130.2884 52.3001 18.8406 177.8266 27 L 4.6381 9.1683 121.6238 55.2308 43.0979 176.6599 28 Q 4.6864 7.7774 115.6906 54.0429 32.9500 174.5163 29 D 4.8806 8.6721 120.5796 54.5853 42.5347 175.8358 30 Y 4.6155 9.0545 122.8211 56.9779 42.2629 172.9562 31 M 4.6394 8.1077 126.8996 53.3235 33.8288 175.5143 32 A 4.0010 8.3090 129.5413 52.2426 18.9912 175.8685 33 P 4.3835 0.0000 0.0000 64.4058 32.1451 175.2993 34 D 4.7833 7.9509 116.3507 52.0364 42.0439 174.5571 35 C 4.5207 8.7182 113.0302 57.8107 43.0213 175.0916 36 R 3.7299 8.5664 119.9899 58.0911 29.8665 176.0743 37 F 5.6554 7.9029 115.7676 55.9328 41.3861 175.2692 38 L 4.7715 9.2291 121.4717 54.0663 43.0384 176.4500 39 T 4.7094 8.5583 120.0607 62.8908 69.6114 174.2899 40 I 4.9254 9.1274 126.6406 59.8848 41.8690 174.1115 41 H 5.3703 9.3107 121.0569 53.5114 32.9562 173.4756 42 R 4.1349 8.5466 119.7080 58.5537 30.3839 176.5287 43 G 4.0952 9.0611 111.1678 45.4047 0.0000 174.1212 44 Q 4.1997 7.8768 118.2931 56.1075 30.2101 175.7680 45 V 4.5779 8.3105 121.7457 61.7490 33.6456 174.6018 46 V 4.8753 8.6450 127.3932 61.3410 34.7271 173.5936 47 Y 4.5925 9.0765 125.9923 56.6845 39.4922 174.8392 48 V 4.6749 8.6540 126.1030 62.6028 32.1844 176.1934 49 F 4.7358 9.6606 126.8195 57.8245 41.0750 175.9404 50 S 4.9127 7.9668 111.8808 56.8230 66.7921 173.3793 51 K 4.8171 8.8302 120.7931 54.4351 34.9416 176.0149 52 L 4.5486 9.0728 125.7935 54.9035 43.3523 176.8287 53 K 4.7878 9.0061 121.1119 53.7992 35.7954 179.9963 54 G 3.9055 8.8627 111.6033 46.8927 0.0000 178.1448 55 R 4.0045 9.0858 124.3278 57.9922 30.0558 177.1176 56 G 4.2451 8.1910 105.6408 44.3246 0.0000 175.4437 57 R 4.8657 7.8109 116.4408 57.5512 29.6356 177.7211 58 L 4.0270 8.0737 118.7031 56.5586 42.7988 176.4527 59 F 4.9857 8.6992 118.1303 55.2609 42.0925 174.7426 60 W 5.4287 8.8059 121.7127 54.9345 32.9279 174.6758 61 G 4.1706 8.7834 109.2232 44.7838 0.0000 173.3324 62 G 4.4054 8.3024 107.5111 46.6345 0.0000 172.1417 63 S 5.2213 8.6356 114.8355 56.9047 68.0176 173.3992 64 V 4.6263 8.2237 121.6054 61.5860 33.1181 175.0110 65 Q 4.5300 9.2022 129.8714 56.4722 29.6655 176.6836 66 G 4.1765 8.2525 113.2845 45.4320 0.0000 172.7640 67 D 4.7360 8.9596 118.7499 55.7865 41.6555 176.2321 68 Y 4.8099 7.9494 115.8394 54.7414 39.9070 174.6179 69 Y 3.8309 8.6641 122.4066 59.8737 38.9126 176.8739 70 G 3.5189 8.1171 115.3080 44.7631 0.0000 172.3208 71 D 4.5978 7.5567 120.5112 53.6193 42.6229 174.5382 72 L 5.0814 8.3425 126.9978 52.7526 44.6226 175.7624 73 A 4.1673 8.7746 128.2521 52.2334 18.4626 177.5554 74 A 3.9789 8.6838 123.7486 54.8709 18.8836 178.8636 75 R 3.9731 7.8479 115.5958 56.3865 30.7395 175.2514 76 L 4.8830 8.1681 124.6111 53.4588 43.8635 175.6737 77 G 4.1087 8.7710 108.5010 45.7455 0.0000 171.1556 78 Y 5.5631 8.7167 117.7124 56.8646 40.4814 175.1906 79 F 5.3329 8.7518 115.5462 55.1468 42.0835 171.8857 80 P 3.8137 0.0000 0.0000 61.9133 31.8226 178.0894 81 S 3.2376 8.0991 118.2915 60.9292 62.6810 176.5776 82 S 4.0647 7.3879 115.6241 60.2135 62.8473 174.7130 83 I 4.0026 7.5996 113.5113 61.4161 37.9453 175.7237 84 V 4.6677 7.4189 113.9843 59.5369 34.7296 174.9702 85 R 4.4990 8.6242 122.7964 54.4794 31.4265 175.1483 86 E 4.3312 8.9824 127.0770 57.1711 29.2888 176.6926 87 D 4.8130 9.1448 124.8563 55.0132 43.1961 176.9443 88 Q 4.4735 7.5978 119.5174 54.8403 32.6226 173.5925 89 T 4.3399 8.5905 123.8614 63.7719 68.5490 174.2408 90 L 4.4255 8.9898 127.2477 56.4582 43.2211 177.6841 91 K 4.5554 7.6081 116.2020 53.8267 36.0301 173.4594 92 P 4.2595 0.0000 0.0000 63.3779 31.7753 176.5214 93 G 4.0762 8.3041 112.5645 43.8514 0.0000 172.8760 94 K 4.2609 7.6741 119.4001 57.1193 34.8340 177.5175 95 V 3.7514 7.8289 120.9571 62.5441 32.0841 174.8627 96 D 5.0768 8.6746 129.5514 53.6684 41.2156 175.5237 97 V 4.7554 8.5329 119.3250 58.8532 35.8617 175.5630 98 K 4.7586 8.5648 121.6703 57.0199 33.5220 176.7030 99 T 4.3765 8.5514 113.1504 61.8323 70.3962 174.4636 100 D 4.8675 9.9602 127.6356 53.6015 43.2671 177.7648 *101 K 4.1909 8.5403 119.9367 57.2736 32.0407 173.6953 102 W 4.3314 8.1877 126.1233 59.4316 31.2051 177.7454 103 D 4.2700 7.6746 116.8292 57.1059 40.1331 177.3542 104 F 4.8813 7.6521 116.9636 58.0482 39.3584 176.9508 *105 Y 4.0203 7.1760 121.0007 57.8617 37.0026 178.5523 106 C 4.0873 7.9490 119.9355 57.4978 40.8391 172.9077 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 G 8.35 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 0.00 0.00 0.00 2 P 0.00 4.14 0.00 2.13 2.00 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 3 M 9.18 4.07 0.00 1.93 1.97 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 2.49 2.57 0.00 4 P 0.00 4.36 0.00 1.98 1.91 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 5 K 8.32 3.66 0.00 1.63 1.70 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.62 1.49 7.81 6 L 6.05 3.62 0.00 0.50 1.19 0.25 0.46 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 7 A 6.71 4.45 1.32 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 0.00 0.00 8 D 8.61 4.69 0.00 2.73 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 9 R 7.64 5.37 0.00 1.74 1.87 0.00 3.13 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 10 K 9.24 5.10 0.00 1.84 1.96 0.00 1.36 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.47 7.81 11 L 9.16 5.27 0.00 1.62 1.74 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 12 C 9.12 5.50 0.00 2.91 3.02 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 13 A 9.00 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.65 0.00 2.84 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 15 Q 8.99 3.94 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 16 E 8.30 4.27 0.00 1.98 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 0.00 2.19 1.89 0.00 17 C 8.17 4.41 0.00 3.13 3.29 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 0.00 18 S 8.50 4.36 0.00 3.97 3.96 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 19 H 8.47 4.96 0.00 3.23 3.23 0.00 5.66 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 20 P 0.00 3.59 0.00 1.93 1.04 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.87 0.00 21 I 8.79 4.04 1.76 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.93 0.73 0.00 0.00 22 S 7.59 4.86 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.59 4.34 0.00 1.86 1.45 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 2.16 1.87 0.00 24 A 8.81 5.16 1.29 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 0.00 0.00 0.00 25 V 8.44 4.75 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 0.99 0.00 0.00 0.95 0.00 0.00 26 A 9.17 4.57 1.23 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 0.00 0.00 0.00 27 L 9.17 4.64 0.00 1.46 1.71 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 28 Q 7.78 4.69 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.01 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 29 D 8.67 4.88 0.00 2.59 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 30 Y 9.05 4.62 0.00 3.01 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.11 4.64 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 32 A 8.31 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 33 P 0.00 4.38 0.00 1.96 2.01 0.00 3.36 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 34 D 7.95 4.78 0.00 2.93 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 35 C 8.72 4.52 0.00 3.10 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 36 R 8.57 3.73 0.00 1.17 1.63 0.00 2.87 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.59 0.00 37 F 7.90 5.66 0.00 3.20 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.23 4.77 0.00 1.86 1.77 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.56 4.71 4.28 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 1.18 0.00 0.00 40 I 9.13 4.93 1.92 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.85 0.00 0.00 41 H 9.31 5.37 0.00 3.04 3.16 0.00 5.65 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 42 R 8.55 4.13 0.00 1.84 1.92 0.00 3.15 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 43 G 9.06 4.10 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 0.00 44 Q 7.88 4.20 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 45 V 8.31 4.58 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 46 V 8.64 4.88 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 0.87 0.00 0.00 0.68 0.00 0.00 47 Y 9.08 4.59 0.00 3.23 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 48 V 8.65 4.67 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 0.95 0.00 0.00 1.26 0.00 0.00 49 F 9.66 4.74 0.00 2.91 3.11 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 0.00 50 S 7.97 4.91 0.00 3.95 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 51 K 8.83 4.82 0.00 1.50 1.58 0.00 1.18 0.00 0.00 0.90 0.00 0.00 2.13 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.30 0.72 7.81 52 L 9.07 4.55 0.00 2.08 1.69 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 53 K 9.01 4.79 0.00 1.84 1.76 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 54 G 8.86 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 0.00 0.00 0.00 55 R 9.09 4.00 0.00 1.79 2.00 0.00 3.17 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 1.63 1.63 0.00 56 G 8.19 4.25 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 0.00 0.00 0.00 57 R 7.81 4.87 0.00 2.05 2.29 0.00 3.11 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 58 L 8.07 4.03 0.00 1.53 1.31 0.90 0.95 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 59 F 8.70 4.99 0.00 3.21 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.81 5.43 0.00 2.51 2.87 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 61 G 8.78 4.17 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 0.00 62 G 8.30 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 63 S 8.64 5.22 0.00 3.90 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 64 V 8.22 4.63 2.12 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 0.99 0.00 0.00 0.94 0.00 0.00 65 Q 9.20 4.53 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 66 G 8.25 4.18 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 0.00 0.00 0.00 67 D 8.96 4.74 0.00 2.65 2.75 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 0.00 0.00 0.00 68 Y 7.95 4.81 0.00 3.06 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 69 Y 8.66 3.83 0.00 2.96 2.95 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 70 G 8.12 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.56 4.60 0.00 3.11 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 72 L 8.34 5.08 0.00 1.47 1.42 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 73 A 8.77 4.17 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 8.68 3.98 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 75 R 7.85 3.97 0.00 1.76 1.84 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 76 L 8.17 4.88 0.00 1.41 1.37 0.74 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.77 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 0.00 0.00 0.00 0.00 78 Y 8.72 5.56 0.00 2.89 3.15 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 79 F 8.75 5.33 0.00 2.90 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 80 P 0.00 3.81 0.00 1.75 1.32 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 81 S 8.10 3.24 0.00 2.72 2.63 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 82 S 7.39 4.06 0.00 3.67 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 83 I 7.60 4.00 2.00 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 1.53 0.79 0.82 0.00 0.00 84 V 7.42 4.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 1.20 0.00 0.00 85 R 8.62 4.50 0.00 1.84 1.80 0.00 3.10 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 86 E 8.98 4.33 0.00 2.00 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 2.49 2.77 0.00 87 D 9.14 4.81 0.00 2.47 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.60 4.47 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 89 T 8.59 4.34 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 1.21 0.00 0.00 90 L 8.99 4.43 0.00 1.68 1.69 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.61 4.56 0.00 1.86 1.58 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.57 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.37 7.81 92 P 0.00 4.26 0.00 2.18 2.16 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 93 G 8.30 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.67 4.26 0.00 1.84 1.89 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.32 7.81 95 V 7.83 3.75 2.19 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 0.98 0.00 0.00 0.97 0.00 0.00 96 D 8.67 5.08 0.00 2.74 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 97 V 8.53 4.76 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 0.79 0.00 0.00 0.96 0.00 0.00 98 K 8.56 4.76 0.00 1.79 1.83 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.46 7.81 99 T 8.55 4.38 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 1.41 0.00 0.00 100 D 9.96 4.87 0.00 2.69 2.71 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 *101 K 8.54 4.19 0.00 1.78 1.72 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 0.99 7.81 102 W 8.19 4.33 0.00 3.29 3.23 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 0.00 103 D 7.67 4.27 0.00 2.14 1.59 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 0.00 104 F 7.65 4.88 0.00 3.01 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *105 Y 7.18 4.02 0.00 2.38 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 0.00 0.00 0.00 106 C 7.95 4.09 0.00 3.06 3.13 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 * Residues marked with a * may have inaccurate shift predictions.