NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5485 8.4201 118.1240 53.1433 39.9455 176.1732 0 A 4.0252 7.8147 121.9864 50.8175 17.7293 175.4855 2 K 4.4104 8.4387 125.5799 56.2089 37.7478 171.8526 3 A 4.5695 8.8741 126.3311 52.6128 18.8482 177.5870 4 I 3.6044 8.7389 123.5036 61.7175 38.0111 176.2388 5 I 4.1440 7.9108 127.8393 59.2602 37.6129 176.0042 6 K 3.4356 8.4059 126.9410 59.7605 31.9559 177.8963 7 E 3.9427 8.0513 117.8622 59.2789 29.3918 178.7888 8 D 4.3216 7.8728 117.8376 57.1328 41.4167 178.2981 9 V 3.4199 7.4058 118.8407 65.8541 31.4805 177.6538 10 Q 3.9158 8.0583 119.1020 59.3098 28.6475 178.3071 11 A 4.0138 7.7938 120.4428 55.1912 18.5329 179.2724 12 S 4.2057 8.1810 111.7392 61.3614 62.5133 176.3765 13 L 4.3085 8.5154 122.2183 58.0903 41.3140 179.4220 14 E 4.1706 8.3520 118.2757 59.1446 29.0633 179.3797 15 R 3.7980 7.5181 118.5193 58.9362 30.1752 176.5921 16 Y 4.3900 7.5265 112.7693 57.6804 38.4491 175.6869 17 A 3.3953 7.2469 123.6936 53.1146 18.7061 177.6964 18 D 4.6412 9.3445 120.2383 54.3159 39.1403 173.9152 19 R 4.6347 7.1590 113.9084 53.4748 32.8070 173.1309 20 P 4.4748 0.0000 0.0000 63.3339 31.9596 176.0239 21 V 4.6349 8.9267 116.7528 59.9969 36.8711 173.6702 22 Y 5.1774 9.4479 119.8766 56.6003 40.5316 175.2181 23 I 5.3082 8.9252 123.2899 59.8042 41.2850 173.8473 24 H 4.9991 8.9728 125.5290 54.1362 32.5126 172.2349 25 L 5.0290 8.4997 127.4177 53.3678 45.2716 174.5595 26 E 5.2980 9.1447 126.6068 54.8109 33.8340 173.7633 27 T 5.3043 9.0237 115.4168 60.1754 72.1888 172.8410 28 T 5.2860 8.9401 114.1781 60.4603 72.9511 172.3151 29 T 5.0925 8.3282 111.8615 60.3661 72.5809 174.1534 30 G 4.0200 8.5503 109.0364 44.2513 0.0000 172.0603 *42 T 4.1922 7.9661 115.3861 61.0880 70.2069 174.4252 43 V 3.9714 8.2442 124.2664 63.0973 32.3148 174.6047 44 V 4.3019 8.7721 126.2950 64.0136 32.6472 175.3295 45 A 4.9293 7.8468 120.3906 50.3884 22.6516 173.8824 46 Y 5.0356 8.4174 121.0960 56.5152 42.1317 173.6888 47 I 4.5903 8.7303 127.0593 59.1282 41.3030 173.6382 48 R 4.5005 8.3558 129.1158 54.7331 32.4542 174.7450 49 N 4.5208 8.7844 123.7367 54.4370 36.6580 174.3867 50 A 4.3209 7.9635 119.3174 51.7066 20.2058 177.2739 51 K 4.5719 8.5435 123.5112 54.9496 33.6567 175.7827 52 V 4.6143 8.5165 119.3474 60.3052 36.7248 174.0952 53 T 4.8627 8.4082 117.6343 62.0879 71.8335 172.6187 54 Y 5.0078 8.2137 124.9234 55.6160 40.3701 175.8239 55 H 5.2669 8.6271 116.0866 55.2393 30.4938 174.6501 56 Q 4.8347 7.8713 117.1751 54.2874 33.0911 173.9173 57 A 5.0579 8.4967 122.5671 50.8388 22.5777 175.5462 58 K 4.7823 9.0258 122.0737 55.1551 36.3117 174.2561 59 I 4.9376 8.5422 127.7020 59.4397 39.5311 174.6182 60 K 4.7046 9.5727 127.9243 54.9160 36.7253 175.6865 61 G 4.2249 9.2671 107.0411 45.4212 0.0000 173.0590 62 N 4.7823 8.1288 112.2262 52.2538 39.7417 174.8246 63 G 3.3233 7.2403 108.0298 44.1190 0.0000 172.3081 64 P 4.3815 0.0000 0.0000 62.4356 32.7434 174.8371 65 Y 5.0885 9.1679 117.8983 56.2992 42.0107 175.3153 66 R 5.0201 9.0266 116.5253 54.4865 33.0195 174.2694 67 V 4.8295 8.7365 122.5188 60.9834 34.6351 174.2933 68 G 4.6715 9.0049 114.1860 44.4237 0.0000 171.4273 69 L 5.0821 9.2702 124.2873 52.5405 45.3723 175.4175 70 K 4.2421 8.8822 126.4453 55.1601 33.2500 176.5121 71 T 4.7287 7.9611 118.9273 59.9743 70.8180 174.5054 72 E 4.1558 8.0513 120.2385 59.3738 29.2631 179.5842 73 E 4.7694 7.9133 112.7795 55.4290 31.0741 175.2805 74 G 4.0836 7.8192 108.8668 45.7401 0.0000 172.2762 75 W 5.7428 8.6276 118.6853 55.3648 33.8332 174.7180 76 I 4.7792 8.9293 122.5523 59.8583 40.2574 173.9701 77 Y 5.3979 8.7423 126.7380 55.9649 42.2078 173.9815 78 A 4.4763 8.3516 126.8300 50.1576 22.6139 174.5080 79 E 4.4770 8.8640 122.6799 54.9314 32.9169 175.8593 80 G 3.9304 8.7910 112.1673 45.1794 0.0000 172.6019 81 L 4.7900 8.0339 120.6596 54.7069 42.2357 177.7698 82 T 4.9490 9.4897 112.3471 61.1998 71.3325 173.1604 83 E 5.5352 8.0282 118.1513 55.0746 33.3911 173.7499 84 Y 5.3452 8.4083 117.3528 58.4202 41.9778 172.2512 85 T 3.5027 7.5096 112.2203 61.8843 70.8580 171.7822 86 V 4.6999 8.2503 123.7066 60.8319 33.4495 174.9715 87 D 4.7588 8.5322 128.0295 51.9486 40.7657 176.8372 88 E 4.1880 8.7067 116.3891 59.2759 29.2469 177.5264 89 E 4.3158 8.3027 116.6483 55.4759 29.7216 175.1160 90 N 4.2789 8.3795 116.4680 54.9541 37.9986 173.8724 91 R 4.7888 8.7438 115.9023 54.1067 33.0105 175.9657 92 L 4.6685 8.5790 126.6237 54.8270 43.1627 175.7062 93 L 5.0174 8.9028 126.1335 52.9239 45.2913 175.4422 *95 A 4.5655 8.3093 121.3415 52.3880 20.4927 175.6181 96 G 4.9664 8.7679 104.4515 45.5181 0.0000 171.8579 97 H 5.2766 8.6548 121.3586 54.6162 33.1563 172.6603 98 L 4.5257 9.0399 127.1931 52.2357 42.0194 175.4455 99 P 4.0855 0.0000 0.0000 65.4663 31.6499 178.7088 100 G 3.6219 8.1496 107.2501 48.5378 0.0000 174.8986 101 G 3.6252 7.9746 106.7242 45.0055 0.0000 173.0944 102 K 3.8445 8.1116 119.3644 57.6072 30.0496 174.6250 103 L 5.1413 7.3986 119.0810 53.3098 46.1631 175.5556 104 A 5.2788 8.9904 126.0560 50.4303 23.0590 174.6122 105 I 5.1065 8.7526 119.0303 59.6476 42.4093 173.9257 106 S 4.8475 8.9911 121.3365 56.6509 66.0711 172.3390 107 L 5.1537 8.5385 127.9284 53.4995 44.6107 175.2773 108 Q 4.9624 9.2278 124.9072 54.1877 33.2024 174.3792 109 I 5.1524 8.9285 123.1227 59.7427 40.9170 174.5072 110 S 4.7000 8.8763 119.8230 56.8679 65.6629 174.6613 111 E 3.9721 9.0252 123.6185 57.8583 29.7986 176.9288 112 K 4.6415 7.3793 116.7442 53.1409 35.5282 174.2083 113 P 3.5574 0.0000 0.0000 62.5884 31.6975 176.2992 114 F 4.4279 9.5255 121.6960 56.9874 41.1046 173.0351 115 T 4.3317 8.9633 111.7737 61.9256 69.1358 174.3012 116 V 3.9400 8.9725 113.9723 61.0675 31.7779 175.8050 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 N 8.42 4.55 0.00 2.72 2.89 0.00 0.00 6.92 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 A 7.81 4.03 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 2 K 8.44 4.41 0.00 1.72 1.44 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 1.17 7.81 3 A 8.87 4.57 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 4 I 8.74 3.60 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.73 -0.06 0.00 0.00 5 I 7.91 4.14 1.92 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.99 0.91 0.00 0.00 6 K 8.41 3.44 0.00 1.64 1.76 0.00 1.98 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.39 7.81 7 E 8.05 3.94 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 2.39 2.41 0.00 8 D 7.87 4.32 0.00 2.78 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 9 V 7.41 3.42 1.86 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 0.76 0.00 0.00 -0.01 0.00 0.00 10 Q 8.06 3.92 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 11 A 7.79 4.01 1.38 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 0.00 0.00 12 S 8.18 4.21 0.00 4.10 4.14 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 13 L 8.52 4.31 0.00 1.91 1.81 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.35 4.17 0.00 2.05 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 2.39 2.63 0.00 15 R 7.52 3.80 0.00 1.77 1.71 0.00 3.04 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.46 0.00 16 Y 7.53 4.39 0.00 3.17 2.91 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 17 A 7.25 3.40 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 18 D 9.34 4.64 0.00 2.79 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 19 R 7.16 4.63 0.00 1.70 1.78 0.00 3.04 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.61 0.00 20 P 0.00 4.47 0.00 1.87 1.92 0.00 3.57 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 21 V 8.93 4.63 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 0.95 0.00 0.00 1.01 0.00 0.00 22 Y 9.45 5.18 0.00 2.87 2.99 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 23 I 8.93 5.31 1.92 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 1.20 1.13 0.90 0.00 0.00 24 H 8.97 5.00 0.00 2.25 2.47 0.00 5.53 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.50 5.03 0.00 1.64 1.32 0.86 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 26 E 9.14 5.30 0.00 1.79 1.66 0.00 0.00 0.00 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 2.44 0.00 27 T 9.02 5.30 4.26 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 1.21 0.00 0.00 28 T 8.94 5.29 4.33 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 1.26 0.00 0.00 29 T 8.33 5.09 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 1.22 0.00 0.00 30 G 8.55 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 *42 T 7.97 4.19 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 43 V 8.24 3.97 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 0.82 0.00 0.00 0.99 0.00 0.00 44 V 8.77 4.30 2.23 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 0.82 0.00 0.00 0.94 0.00 0.00 45 A 7.85 4.93 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 46 Y 8.42 5.04 0.00 2.88 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 47 I 8.73 4.59 1.86 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 1.10 1.61 0.89 0.00 0.00 48 R 8.36 4.50 0.00 1.31 1.81 0.00 3.52 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 49 N 8.78 4.52 0.00 3.09 3.14 0.00 0.00 7.04 7.34 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 50 A 7.96 4.32 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 51 K 8.54 4.57 0.00 1.57 1.59 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.03 0.57 7.81 52 V 8.52 4.61 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 0.65 0.00 0.00 1.03 0.00 0.00 53 T 8.41 4.86 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 1.14 0.00 0.00 54 Y 8.21 5.01 0.00 3.06 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 55 H 8.63 5.27 0.00 3.14 3.52 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.87 4.83 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 57 A 8.50 5.06 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 58 K 9.03 4.78 0.00 1.85 1.65 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 59 I 8.54 4.94 1.79 0.00 0.00 0.51 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 1.15 0.87 0.00 0.00 60 K 9.57 4.70 0.00 1.73 1.71 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.42 7.81 61 G 9.27 4.22 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 0.00 62 N 8.13 4.78 0.00 2.59 2.75 0.00 0.00 7.04 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 63 G 7.24 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 0.00 0.00 0.00 64 P 0.00 4.38 0.00 1.86 1.99 0.00 3.50 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.06 0.00 65 Y 9.17 5.09 0.00 2.78 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 66 R 9.03 5.02 0.00 1.58 2.06 0.00 2.95 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 67 V 8.74 4.83 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 0.94 0.00 0.00 0.87 0.00 0.00 68 G 9.00 4.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.27 5.08 0.00 1.35 1.04 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.88 4.24 0.00 1.46 1.35 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.97 0.89 7.81 71 T 7.96 4.73 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 1.24 0.00 0.00 72 E 8.05 4.16 0.00 2.00 2.09 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 2.36 2.47 0.00 73 E 7.91 4.77 0.00 2.01 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 0.00 2.16 2.29 0.00 74 G 7.82 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 75 W 8.63 5.74 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 76 I 8.93 4.78 1.88 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 1.16 0.71 0.91 0.00 0.00 77 Y 8.74 5.40 0.00 2.91 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 78 A 8.35 4.48 1.05 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 0.00 0.00 79 E 8.86 4.48 0.00 1.74 1.71 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 2.18 2.30 0.00 80 G 8.79 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.03 4.79 0.00 1.70 1.64 0.87 0.27 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 82 T 9.49 4.95 4.32 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 1.29 0.00 0.00 83 E 8.03 5.54 0.00 2.09 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 2.41 2.33 0.00 84 Y 8.41 5.35 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 3.50 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 1.18 0.00 0.00 86 V 8.25 4.70 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 1.01 0.00 0.00 1.09 0.00 0.00 87 D 8.53 4.76 0.00 2.95 2.84 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 88 E 8.71 4.19 0.00 2.09 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 0.00 2.28 2.29 0.00 89 E 8.30 4.32 0.00 2.11 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 2.25 2.28 0.00 90 N 8.38 4.28 0.00 2.81 2.94 0.00 0.00 6.97 7.59 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 91 R 8.74 4.79 0.00 2.09 1.90 0.00 2.78 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.67 0.00 92 L 8.58 4.67 0.00 2.10 1.58 1.14 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.90 5.02 0.00 1.65 1.56 1.01 0.71 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 *95 A 8.31 4.57 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 96 G 8.77 4.97 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 0.00 0.00 0.00 97 H 8.65 5.28 0.00 3.11 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 9.04 4.53 0.00 1.51 1.54 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.09 0.00 2.15 2.17 0.00 3.69 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 1.95 1.95 0.00 100 G 8.15 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 G 7.97 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 0.00 102 K 8.11 3.84 0.00 1.95 1.87 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 103 L 7.40 5.14 0.00 1.66 1.44 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.99 5.28 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 0.00 105 I 8.75 5.11 1.86 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 1.08 1.77 0.96 0.00 0.00 106 S 8.99 4.85 0.00 3.88 3.61 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 0.00 107 L 8.54 5.15 0.00 1.55 1.44 0.87 0.62 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 0.00 108 Q 9.23 4.96 0.00 1.47 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 109 I 8.93 5.15 1.51 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 1.13 0.99 0.56 0.00 0.00 110 S 8.88 4.70 0.00 3.27 2.91 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 0.00 111 E 9.03 3.97 0.00 2.06 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 0.00 2.53 2.59 0.00 112 K 7.38 4.64 0.00 1.55 1.47 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.33 7.81 113 P 0.00 3.56 0.00 1.70 1.55 0.00 3.31 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.65 0.00 114 F 9.53 4.43 0.00 3.10 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 0.00 115 T 8.96 4.33 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 1.17 0.00 0.00 116 V 8.97 3.94 2.09 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 0.71 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.