NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 S 4.3969 8.1885 115.4098 57.7888 64.5576 174.4531 25 A 3.6684 8.3570 123.5243 54.1045 18.0260 178.5447 26 K 3.6981 8.1450 119.3113 60.3507 32.6868 177.7229 27 E 3.8917 8.2248 118.3966 60.9326 29.5732 180.6138 28 A 4.1266 8.1441 121.9976 55.2070 18.3630 179.9165 29 I 2.7662 7.4221 118.2726 64.1416 37.0486 178.4792 30 E 3.8854 8.1888 119.3794 59.2732 29.3431 179.3377 31 A 3.9666 8.1796 120.7295 55.1094 18.4882 179.5690 32 A 4.0520 8.0391 119.3575 55.4245 18.3635 179.6728 33 N 4.3917 8.6190 115.2493 56.2328 38.5904 177.4699 34 A 4.0229 8.1607 122.3394 55.3848 18.4478 179.4689 35 D 4.3566 8.1121 116.9363 57.2074 40.7673 178.7428 36 F 3.9258 8.3122 121.2571 61.3730 39.4000 177.4059 37 V 3.7195 8.2097 118.0254 65.8323 31.3122 177.8220 38 K 3.9179 8.2475 119.2010 59.4555 32.0709 178.6808 39 A 3.8750 8.1077 121.0853 55.1244 18.2510 178.9298 40 Y 3.5174 8.0512 118.3424 60.9331 38.7290 178.1543 41 N 4.4815 8.4363 115.5992 55.4677 38.7216 176.5862 42 S 4.3736 7.7123 114.9397 57.3237 63.6341 173.7934 43 K 3.5211 7.7067 120.1370 58.0144 29.3032 176.5406 44 D 4.6879 7.5471 118.3715 51.8194 41.1724 175.6703 45 A 3.9687 8.1433 125.7724 54.4509 18.7905 178.7719 46 A 4.1390 8.0551 118.9932 55.3288 18.2298 179.8077 47 G 3.6294 8.0963 104.3101 47.2543 0.0000 175.7293 48 V 3.2090 7.6581 120.4485 65.5718 31.4973 178.0192 49 A 4.1507 8.1478 120.7517 55.0541 17.9582 179.4585 50 S 4.3044 8.0431 111.6098 60.7221 63.2769 175.9326 51 K 4.3448 8.2329 121.4839 57.5406 32.2843 176.2084 52 Y 5.0858 8.3056 117.6172 57.2939 36.9175 177.3930 *54 D 4.7494 8.6505 126.4197 54.2183 43.6789 175.2757 55 D 5.0347 8.1357 115.8169 53.0323 40.3596 176.6589 56 A 4.5006 8.2147 120.8337 52.7703 20.2212 176.8643 57 A 5.0301 8.9412 119.4628 50.2146 22.9031 175.2376 58 A 5.3983 8.9199 122.3229 50.3289 21.1345 175.5868 59 F 4.4034 9.0450 118.6653 55.0196 39.5098 172.2664 60 P 3.1717 0.0000 0.0000 60.1278 32.5166 174.7997 61 P 4.0011 0.0000 0.0000 64.1049 32.1691 176.0586 62 D 4.1061 8.3630 120.2109 55.2664 37.7021 173.3406 *64 A 4.0081 7.4605 119.7492 51.2800 20.1819 176.6187 65 R 3.6706 8.2146 119.5498 57.0649 30.8111 175.6708 66 V 4.2569 8.5346 125.5281 61.1710 33.8847 173.6958 67 D 5.1319 8.8407 127.6026 53.5914 43.1278 177.1854 68 G 4.4134 9.0937 108.6029 46.1437 0.0000 174.3916 69 R 3.7991 8.5471 120.2590 59.2995 30.1927 178.8072 70 Q 3.9358 7.9986 118.7909 59.3949 29.1630 177.8940 71 N 4.3770 8.0486 116.9697 56.2252 38.6258 177.3670 72 I 3.6189 7.9187 121.5652 64.1234 37.0152 178.0834 73 Q 4.0625 8.3763 120.8374 59.3414 28.8107 178.7390 74 K 4.0109 7.9583 118.9396 59.0771 32.0224 179.0512 75 L 3.8080 7.9493 120.7252 58.1464 41.7837 179.2624 76 W 4.3462 7.9356 117.3327 59.6120 29.0460 178.0578 77 Q 4.2614 8.5590 119.6502 59.1070 28.5245 178.2710 78 G 3.7975 8.2179 105.9658 47.5182 0.0000 176.0038 79 A 4.1556 7.7530 119.5530 52.6334 18.2170 177.7242 *81 D 4.1533 8.0762 118.1344 55.8128 42.2068 176.7472 *83 G 3.9027 8.1437 104.7190 45.0307 0.0000 173.4393 84 I 4.1507 7.8792 121.8026 61.0446 37.4057 175.6241 85 S 4.8435 9.0382 119.3289 57.0266 66.8068 173.0272 86 E 3.8645 8.9294 116.8924 57.3626 26.6210 174.9467 87 L 4.4379 8.3830 119.5002 55.2755 43.5113 177.1597 88 K 4.7965 9.2747 124.4553 54.6664 36.3917 175.0999 89 L 5.4577 8.7221 123.5065 53.2600 44.8620 175.9290 90 T 4.6339 9.1392 119.9334 61.8533 71.6052 173.4738 91 T 4.2642 8.7136 124.1433 63.8703 68.5461 174.3384 92 L 4.5378 8.8133 127.2573 56.5084 43.1584 176.6871 93 D 4.7672 7.5994 115.6048 52.2909 42.6864 174.5677 94 V 5.0151 8.1977 118.9373 61.4481 35.0153 174.1882 95 Q 4.6903 9.3162 126.4373 54.1166 31.6341 174.0842 96 E 4.5849 8.8471 125.2825 55.3425 31.3933 176.4553 97 S 4.6375 9.4088 121.3089 57.6932 64.5582 175.6589 98 G 3.9006 8.1687 119.3937 46.7918 0.0000 172.5578 99 D 4.3426 8.7936 126.2645 54.3417 41.1251 175.0223 100 F 5.6834 8.2812 118.2077 55.6745 42.9766 174.1370 101 A 4.7723 8.8244 121.2765 50.2689 22.8947 175.0379 102 F 5.3581 9.0677 120.3490 55.7643 41.5910 174.2342 103 E 5.3573 9.6166 125.7249 54.3204 32.2778 174.6925 104 S 5.1668 8.7269 120.8806 56.9882 66.6376 173.2457 105 G 3.8926 7.5068 107.7240 45.7728 0.0000 171.6822 106 S 5.5070 8.7920 114.2609 56.3268 66.2901 173.2528 107 F 5.7797 8.7921 115.6660 55.3245 41.5661 173.6482 108 S 5.3954 8.9710 113.6903 57.1430 66.8808 172.4230 109 L 5.2170 8.6090 119.6359 56.3018 44.1608 173.3320 110 K 5.2943 9.0959 118.3541 54.8205 35.5649 175.5475 111 A 5.2883 8.8625 123.8509 49.4882 23.0023 173.9582 112 P 4.6403 0.0000 0.0000 63.1411 32.2488 176.6043 113 G 3.9563 9.8832 115.2373 44.6163 0.0000 175.3921 114 K 3.7878 8.9421 122.9433 58.5298 31.2139 177.3428 115 D 4.4242 8.2919 118.7253 54.4039 39.6067 180.5570 116 S 4.1040 8.6291 116.0393 59.8880 61.3586 177.1834 117 K 4.4294 7.3977 122.2121 55.5203 32.8744 181.9856 118 L 4.8170 8.5665 124.7456 54.3235 42.3512 176.5034 119 V 4.4451 8.9082 124.5231 60.9745 33.8514 174.8011 120 D 5.1653 8.7406 126.7859 54.5935 41.7356 175.4724 121 A 4.9028 9.2384 122.5444 50.4880 23.1743 174.8814 122 A 4.7344 8.2100 120.4280 50.7615 23.4613 175.5954 123 G 3.9949 7.0331 103.6876 46.0931 0.0000 172.5736 124 K 5.3766 8.7319 118.9232 56.0559 36.6835 174.8474 125 Y 5.5464 8.5217 118.2981 56.1284 42.2789 173.5647 126 V 5.1309 9.2214 119.4881 61.2310 35.1319 174.2409 127 V 4.9117 9.2698 127.3157 61.1041 34.7556 174.2137 128 V 4.6026 8.8705 128.4653 62.0860 32.6837 174.7774 129 W 5.3172 9.4826 128.7898 55.5766 31.4788 175.4311 130 R 5.1702 9.5168 122.9006 54.5006 33.2469 173.8219 131 K 4.1344 8.3560 127.5672 54.6947 33.0807 176.8390 132 G 3.8182 8.5055 116.8734 44.7956 0.0000 174.2813 133 Q 3.9071 8.4407 118.3942 58.8007 28.6636 177.9076 134 D 4.3681 7.8621 114.6808 54.2526 39.4411 177.0290 135 G 3.7601 7.9430 109.2681 44.9087 0.0000 173.7848 136 G 3.9576 8.4301 108.3224 45.0295 0.0000 173.5086 137 W 5.1816 8.6649 124.0221 56.4640 30.0706 175.8689 138 K 5.2292 9.5718 122.4053 54.4817 36.1764 175.7555 139 L 3.6149 8.5148 123.0401 55.1236 42.1959 176.9791 140 Y 4.7956 9.1589 123.0589 58.5497 42.0845 175.5636 141 R 5.2403 8.0131 117.3083 54.4417 34.5038 173.8055 142 D 5.2008 9.6139 123.4120 52.5625 44.2380 174.1216 143 I 5.1295 8.9161 126.0787 59.2183 41.6769 173.8394 144 W 6.0258 7.8593 124.0303 56.0369 31.8828 172.5927 145 N 5.0547 9.3582 117.0718 52.4599 40.5524 173.4063 146 S 5.1261 8.7211 114.5920 58.1021 64.2152 173.8028 147 D 5.1640 8.4087 122.2522 51.6251 43.3159 174.8244 148 P 4.3714 0.0000 0.0000 62.0942 32.1778 176.2302 149 A 4.1298 8.3764 123.0807 52.6080 18.9358 177.8826 150 K 4.1650 8.2537 119.1536 57.1631 32.7576 176.1751 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 24 S 8.19 4.40 0.00 3.98 4.04 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 25 A 8.36 3.67 1.24 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 0.00 0.00 0.00 26 K 8.15 3.70 0.00 1.74 1.74 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.42 7.81 27 E 8.22 3.89 0.00 2.01 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 2.24 2.20 0.00 28 A 8.14 4.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.42 2.77 1.39 0.00 0.00 -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 0.90 0.01 0.35 0.00 0.00 30 E 8.19 3.89 0.00 2.07 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 2.30 2.35 0.00 31 A 8.18 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.04 4.05 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.62 4.39 0.00 2.96 2.88 0.00 0.00 6.88 7.05 0.00 0.00 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 A 8.16 4.02 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.11 4.36 0.00 2.97 2.77 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 36 F 8.31 3.93 0.00 3.20 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 37 V 8.21 3.72 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 1.12 0.00 0.00 1.01 0.00 0.00 38 K 8.25 3.92 0.00 1.89 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 39 A 8.11 3.88 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 40 Y 8.05 3.52 0.00 2.80 2.96 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 41 N 8.44 4.48 0.00 2.83 2.90 0.00 0.00 7.14 7.12 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 42 S 7.71 4.37 0.00 3.78 3.83 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 0.00 0.00 0.00 43 K 7.71 3.52 0.00 1.80 1.75 0.00 1.52 0.00 0.00 1.34 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.42 7.81 44 D 7.55 4.69 0.00 2.64 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 3.97 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 46 A 8.06 4.14 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 47 G 8.10 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 48 V 7.66 3.21 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 -0.58 0.00 0.00 0.57 0.00 0.00 49 A 8.15 4.15 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 50 S 8.04 4.30 0.00 4.08 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 51 K 8.23 4.34 0.00 1.94 2.02 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.68 1.68 7.81 52 Y 8.31 5.09 0.00 3.15 2.49 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 *54 D 8.65 4.75 0.00 2.89 2.77 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 55 D 8.14 5.03 0.00 2.84 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 56 A 8.21 4.50 1.60 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 0.00 0.00 57 A 8.94 5.03 0.99 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 0.00 0.00 0.00 0.00 0.00 58 A 8.92 5.40 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 4.40 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.17 0.00 1.85 1.84 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 61 P 0.00 4.00 0.00 1.99 1.91 0.00 3.41 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 62 D 8.36 4.11 0.00 2.80 2.70 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 0.00 0.00 0.00 0.00 *64 A 7.46 4.01 1.18 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 65 R 8.21 3.67 0.00 1.49 1.66 0.00 2.78 0.00 0.00 2.96 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.90 0.00 66 V 8.53 4.26 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.83 0.00 0.00 67 D 8.84 5.13 0.00 2.49 2.48 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 68 G 9.09 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 69 R 8.55 3.80 0.00 1.95 2.11 0.00 3.23 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 70 Q 8.00 3.94 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 71 N 8.05 4.38 0.00 2.89 2.78 0.00 0.00 7.12 7.47 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 72 I 7.92 3.62 1.84 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.28 0.00 0.00 73 Q 8.38 4.06 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 74 K 7.96 4.01 0.00 2.01 1.82 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.61 7.81 75 L 7.95 3.81 0.00 1.61 1.68 0.77 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 76 W 7.94 4.35 0.00 3.35 3.31 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 77 Q 8.56 4.26 0.00 2.12 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 78 G 8.22 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 0.00 0.00 0.00 79 A 7.75 4.16 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 D 8.08 4.15 0.00 2.88 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 *83 G 8.14 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 0.00 0.00 0.00 84 I 7.88 4.15 2.20 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.93 0.00 0.00 85 S 9.04 4.84 0.00 4.00 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 86 E 8.93 3.86 0.00 2.23 2.05 0.00 0.00 0.00 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 2.33 0.00 87 L 8.38 4.44 0.00 1.47 1.62 0.75 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 88 K 9.27 4.80 0.00 1.76 1.68 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.45 7.81 89 L 8.72 5.46 0.00 1.51 1.64 0.48 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 90 T 9.14 4.63 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 1.22 0.00 0.00 91 T 8.71 4.26 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 1.19 0.00 0.00 92 L 8.81 4.54 0.00 1.53 1.66 0.84 1.00 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 93 D 7.60 4.77 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.20 5.02 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 0.60 0.00 0.00 0.81 0.00 0.00 95 Q 9.32 4.69 0.00 2.27 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 96 E 8.85 4.58 0.00 1.93 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 2.37 2.41 0.00 97 S 9.41 4.64 0.00 4.08 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 98 G 8.17 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 0.00 0.00 0.00 99 D 8.79 4.34 0.00 2.21 2.13 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 0.00 100 F 8.28 5.68 0.00 3.02 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.77 0.31 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 0.00 102 F 9.07 5.36 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.62 5.36 0.00 2.26 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 2.39 2.32 0.00 104 S 8.73 5.17 0.00 3.81 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 0.00 105 G 7.51 3.89 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 0.00 0.00 0.00 106 S 8.79 5.51 0.00 3.79 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 0.00 107 F 8.79 5.78 0.00 3.19 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 0.00 108 S 8.97 5.40 0.00 3.92 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 0.00 109 L 8.61 5.22 0.00 1.98 1.85 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 110 K 9.10 5.29 0.00 1.74 1.76 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.41 7.81 111 A 8.86 5.29 1.25 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 0.00 112 P 0.00 4.64 0.00 2.11 2.10 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 113 G 9.88 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 0.00 0.00 0.00 114 K 8.94 3.79 0.00 1.78 1.77 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 115 D 8.29 4.42 0.00 2.59 2.70 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 0.00 0.00 0.00 0.00 116 S 8.63 4.10 0.00 3.74 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 0.00 117 K 7.40 4.43 0.00 1.49 1.71 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.37 1.29 7.81 118 L 8.57 4.82 0.00 1.55 1.68 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.91 4.45 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 1.01 0.00 0.00 120 D 8.74 5.17 0.00 2.63 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.24 4.90 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 0.00 122 A 8.21 4.73 1.08 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 0.00 123 G 7.03 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.73 5.38 0.00 1.76 1.80 0.00 1.30 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.45 7.81 125 Y 8.52 5.55 0.00 3.43 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 9.22 5.13 2.16 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 1.04 0.00 0.00 0.97 0.00 0.00 127 V 9.27 4.91 2.15 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 0.01 0.00 0.00 0.86 0.00 0.00 128 V 8.87 4.60 2.34 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 1.25 0.00 0.00 1.22 0.00 0.00 129 W 9.48 5.32 0.00 3.19 3.25 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 0.00 130 R 9.52 5.17 0.00 1.79 1.70 0.00 2.32 0.00 0.00 2.70 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.00 131 K 8.36 4.13 0.00 0.79 1.00 0.00 1.33 0.00 0.00 0.61 0.00 0.00 2.19 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.84 0.55 7.81 132 G 8.51 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 0.00 0.00 0.00 133 Q 8.44 3.91 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 134 D 7.86 4.37 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 0.00 135 G 7.94 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 0.00 136 G 8.43 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 0.00 0.00 0.00 137 W 8.66 5.18 0.00 3.08 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 0.00 138 K 9.57 5.23 0.00 1.83 1.87 0.00 1.75 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.51 7.81 139 L 8.51 3.61 0.00 0.67 0.98 0.41 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 9.16 4.80 0.00 3.16 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 0.00 141 R 8.01 5.24 0.00 1.81 1.86 0.00 3.54 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 142 D 9.61 5.20 0.00 3.01 2.97 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 0.00 0.00 0.00 143 I 8.92 5.13 1.60 0.00 0.00 0.57 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 1.58 0.87 0.00 0.00 144 W 7.86 6.03 0.00 3.84 3.32 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 0.00 145 N 9.36 5.05 0.00 2.89 2.95 0.00 0.00 7.37 7.01 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 0.00 146 S 8.72 5.13 0.00 3.86 3.89 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 0.00 147 D 8.41 5.16 0.00 2.41 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.37 0.00 2.17 2.05 0.00 3.75 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 1.97 1.95 0.00 149 A 8.38 4.13 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 0.00 150 K 8.25 4.17 0.00 1.79 1.69 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.