NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.5823 8.1749 117.3820 63.6262 69.4255 172.9323 3 K 4.5265 9.0169 125.5099 55.5063 35.4844 174.7049 4 L 5.4366 8.3506 120.2253 53.2078 46.9950 174.8305 5 A 5.1621 9.1695 121.8025 51.1572 23.6040 174.9395 6 L 5.4259 8.9135 117.9457 53.0569 46.1802 175.9805 7 F 5.4815 9.3485 124.5119 56.5367 42.4219 173.7062 8 V 4.7416 8.4855 126.3226 61.0365 34.2925 173.9797 9 R 4.9008 8.5789 128.3293 54.7591 32.5596 174.7740 10 L 5.0819 9.2015 124.9461 53.0873 45.8151 175.0361 11 E 5.2406 8.7998 122.8823 54.3739 31.9467 175.2013 12 A 4.7047 9.0141 127.6917 51.3766 19.4223 177.4391 13 K 4.1172 8.9681 122.0152 55.6116 33.4647 175.1692 14 P 4.9131 0.0000 0.0000 63.8263 31.6270 177.0770 15 G 3.9991 8.9972 110.8947 46.1365 0.0000 174.4986 16 Q 4.5730 8.2303 118.2441 55.6535 29.2538 177.0951 17 E 4.0523 8.0910 122.0404 59.6600 29.5420 179.0024 18 A 4.0522 8.0422 120.0438 54.9879 18.4088 179.3780 19 A 3.9191 7.7917 118.9293 55.2455 18.5381 179.5077 20 L 3.7790 8.1908 119.0721 57.9350 42.1083 178.9327 21 A 3.7482 7.5734 120.7312 55.1876 18.2664 179.2681 22 D 4.3220 8.3583 117.6896 57.3969 40.6707 178.7124 23 F 4.0488 8.1666 120.0368 61.4152 39.7562 176.8802 24 L 4.1956 8.2517 118.2238 57.8916 41.3631 179.4829 25 A 4.1674 8.1875 120.6386 55.1881 18.0868 179.6458 26 S 4.1418 8.1177 112.3552 60.7321 63.1828 175.9292 27 A 3.8707 7.5401 122.7035 53.2852 18.1161 178.9151 28 L 3.3314 7.4392 119.5365 57.8626 42.0724 177.3304 29 P 4.1391 0.0000 0.0000 65.4182 30.9793 178.5900 30 L 3.8064 7.4059 116.3320 57.6071 41.8713 178.8634 31 A 3.7006 7.3328 120.6398 55.0835 17.8783 179.3539 32 N 4.1371 7.9731 113.9925 56.2581 38.6787 176.8297 33 A 4.4051 7.4783 119.4562 52.3571 19.0973 177.2395 34 E 4.2455 7.9134 118.5657 54.8860 28.9325 177.5089 35 S 4.1349 8.6955 120.2444 60.9312 63.1663 175.6380 36 G 3.8228 8.1195 107.7818 46.2117 0.0000 172.7304 37 T 4.5129 7.5097 117.6318 62.4101 67.9139 174.8110 38 T 4.1456 8.6836 124.6849 66.0403 69.1805 175.0326 39 A 4.6881 7.5299 120.5632 50.3749 23.1711 175.0762 40 W 5.2260 7.8107 128.3634 56.3381 34.1215 173.7611 41 F 4.6283 8.9101 125.5334 55.4771 42.1277 173.6601 42 A 4.3938 8.1322 125.8222 50.8077 19.7041 176.1784 43 L 4.6036 9.0040 123.1539 52.6669 44.9510 175.5995 44 K 4.3955 8.2736 123.2507 54.8808 33.5972 175.5419 45 F 4.3662 8.7826 126.9477 59.0966 39.8342 175.6597 46 G 3.9784 7.0816 107.4753 44.1414 0.0000 172.0703 47 P 4.2369 0.0000 0.0000 65.1090 31.2257 177.1116 48 S 4.9885 8.0100 110.5379 57.8251 65.0325 173.1959 49 T 5.1183 7.5171 118.1859 62.3878 71.2926 173.2889 50 F 5.3716 9.5858 124.9871 56.7653 44.1818 173.0732 51 G 4.1555 8.2370 104.1532 47.3096 0.0000 172.2389 52 V 4.9104 8.0496 118.4405 61.1629 35.4474 174.1463 53 F 5.5893 9.0183 129.2924 56.5329 42.2296 173.5475 54 D 5.0186 8.0315 123.6467 51.9787 43.2493 173.8359 55 A 4.8110 8.1237 120.1741 50.3194 22.9789 175.1278 56 F 5.2277 9.2403 117.6141 55.8520 43.4763 175.7793 57 A 4.2810 8.3192 123.3854 54.9732 19.1282 177.0886 58 D 4.5596 7.8055 112.7793 51.2452 42.3275 175.7625 59 E 3.8610 8.7927 118.8186 59.2549 29.3730 178.2397 60 A 4.0820 8.1234 120.5899 55.0305 18.5748 179.6950 61 G 3.5474 8.6365 104.4042 47.8619 0.0000 175.8003 62 R 2.0000 7.4721 121.4585 58.6921 29.9978 178.6428 63 Q 3.9011 8.3006 117.8718 58.8037 28.4215 178.5666 64 A 3.9794 8.0881 121.4885 55.3300 18.6360 178.9313 65 H 4.2801 8.0407 116.4312 59.4878 29.8170 177.6039 66 L 4.0966 7.8226 119.4277 56.9287 41.4517 178.1898 67 N 4.9092 7.8948 113.8737 54.5379 39.6792 175.6661 68 G 4.1785 7.8199 109.4850 43.8240 0.0000 174.0717 69 Q 4.0382 8.4998 117.7112 59.0772 28.6379 178.7512 70 I 3.7848 7.6512 120.2569 64.1358 37.0701 178.0238 71 A 4.0114 7.9385 119.9484 55.1173 18.3411 179.0591 72 A 4.0772 7.9478 117.8204 55.3541 18.5225 179.4133 73 A 4.2419 8.4877 119.7527 54.9845 18.5745 179.6736 74 L 3.5787 8.3338 117.9816 55.4619 42.1175 178.5505 *76 A 4.2938 8.0236 121.6726 51.0529 20.5413 178.4848 77 N 4.7954 7.4727 110.6680 53.1967 39.7151 176.7206 78 A 3.8399 7.8369 122.7857 54.8447 18.2116 179.1019 79 A 3.9131 7.9796 118.3377 55.3190 18.3541 178.8937 80 T 4.3205 7.6740 104.9979 62.5994 70.3550 176.3344 81 L 4.1570 7.9585 121.9671 55.3483 42.1145 176.5231 82 L 5.2180 7.1492 117.1100 52.8936 43.9813 176.7238 83 S 4.4724 8.7894 116.3526 59.4124 63.7284 174.0034 84 S 4.5943 7.4761 113.7016 56.3436 65.3068 172.2124 85 P 4.3763 0.0000 0.0000 61.7825 31.6371 174.6846 86 P 4.1902 0.0000 0.0000 63.5334 31.9845 175.7903 87 N 4.6180 8.9823 124.0209 53.0259 39.3713 173.2383 88 I 4.8378 8.2261 127.1015 59.5602 39.3004 175.0447 89 E 4.8162 9.3349 126.9269 54.3737 32.3036 175.5154 90 K 4.6217 8.7775 124.1034 56.1518 33.2858 176.5661 91 V 4.5781 8.7391 123.6471 61.1591 35.0716 174.0079 92 E 4.7288 8.8844 126.5701 55.6232 30.7701 175.6972 93 L 4.5149 8.7083 125.0819 53.7153 41.8765 177.2474 94 L 4.0870 8.8658 124.4914 57.1354 42.1074 176.7853 95 A 4.3851 7.5743 117.5027 51.9114 21.5096 175.1613 96 A 4.5908 8.3936 121.3414 50.8737 22.1662 175.8336 97 K 4.5995 8.6375 123.6741 54.4394 34.1335 175.2885 98 L 4.9850 8.1714 124.9762 51.7526 45.4071 174.5664 99 P 4.3070 0.0000 0.0000 63.3192 31.9447 176.3084 100 A 4.1752 7.6158 121.7768 51.4345 18.4132 177.1519 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 2 T 8.17 4.58 4.29 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 1.27 0.00 0.00 3 K 9.02 4.53 0.00 1.82 1.83 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.67 7.81 4 L 8.35 5.44 0.00 1.72 1.63 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 5 A 9.17 5.16 1.16 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 0.00 0.00 0.00 6 L 8.91 5.43 0.00 1.97 1.65 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 F 9.35 5.48 0.00 3.38 3.09 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 8 V 8.49 4.74 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 1.02 0.00 0.00 0.99 0.00 0.00 9 R 8.58 4.90 0.00 1.67 1.64 0.00 2.95 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 1.59 1.45 0.00 10 L 9.20 5.08 0.00 1.71 1.58 1.04 0.87 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 11 E 8.80 5.24 0.00 1.89 1.88 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 2.31 2.23 0.00 12 A 9.01 4.70 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.97 4.12 0.00 1.80 1.75 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.55 7.81 14 P 0.00 4.91 0.00 2.05 2.03 0.00 3.77 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 15 G 9.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.23 4.57 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.76 0.00 17 E 8.09 4.05 0.00 2.16 2.33 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 2.67 2.60 0.00 18 A 8.04 4.05 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.79 3.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.19 3.78 0.00 1.63 1.10 0.82 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.57 3.75 1.41 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 22 D 8.36 4.32 0.00 2.89 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 23 F 8.17 4.05 0.00 3.06 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 24 L 8.25 4.20 0.00 1.94 1.81 1.01 1.14 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 25 A 8.19 4.17 1.41 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 26 S 8.12 4.14 0.00 3.88 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 27 A 7.54 3.87 1.17 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 28 L 7.44 3.33 0.00 1.86 1.74 1.05 1.41 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 29 P 0.00 4.14 0.00 2.07 1.99 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 30 L 7.41 3.81 0.00 1.45 1.55 0.79 0.67 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 31 A 7.33 3.70 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 0.00 0.00 0.00 32 N 7.97 4.14 0.00 2.71 2.82 0.00 0.00 7.06 6.89 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 33 A 7.48 4.41 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 34 E 7.91 4.25 0.00 2.18 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 2.30 2.37 0.00 35 S 8.70 4.13 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 37 T 7.51 4.51 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 38 T 8.68 4.15 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 39 A 7.53 4.69 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 40 W 7.81 5.23 0.00 3.06 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 41 F 8.91 4.63 0.00 2.85 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 42 A 8.13 4.39 1.04 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 0.00 0.00 43 L 9.00 4.60 0.00 1.25 0.95 1.05 0.31 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 44 K 8.27 4.40 0.00 1.79 1.59 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.06 0.80 7.81 45 F 8.78 4.37 0.00 3.12 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 46 G 7.08 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.24 0.00 2.21 2.21 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 S 8.01 4.99 0.00 3.97 4.12 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 49 T 7.52 5.12 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 1.19 0.00 0.00 50 F 9.59 5.37 0.00 2.93 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 51 G 8.24 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 0.00 0.00 0.00 0.00 52 V 8.05 4.91 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 0.82 0.00 0.00 0.90 0.00 0.00 53 F 9.02 5.59 0.00 3.37 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 54 D 8.03 5.02 0.00 2.58 2.66 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 0.00 0.00 0.00 55 A 8.12 4.81 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 56 F 9.24 5.23 0.00 2.90 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 57 A 8.32 4.28 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 58 D 7.81 4.56 0.00 2.89 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 59 E 8.79 3.86 0.00 2.09 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 2.35 2.39 0.00 60 A 8.12 4.08 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 61 G 8.64 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.47 2.00 0.00 1.37 1.91 0.00 3.10 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 1.35 0.99 0.00 63 Q 8.30 3.90 0.00 2.12 2.08 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 2.58 2.47 0.00 64 A 8.09 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.04 4.28 0.00 3.52 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.82 4.10 0.00 1.78 1.71 0.88 0.90 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 67 N 7.89 4.91 0.00 2.74 2.81 0.00 0.00 6.88 7.74 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 68 G 7.82 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 69 Q 8.50 4.04 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 70 I 7.65 3.78 1.89 0.00 0.00 0.55 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 0.51 1.12 0.00 0.00 71 A 7.94 4.01 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.95 4.08 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 73 A 8.49 4.24 1.62 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 74 L 8.33 3.58 0.00 2.07 1.84 0.55 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *76 A 8.02 4.29 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 77 N 7.47 4.80 0.00 2.47 2.58 0.00 0.00 6.74 6.79 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 78 A 7.84 3.84 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 79 A 7.98 3.91 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 80 T 7.67 4.32 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 1.19 0.00 0.00 81 L 7.96 4.16 0.00 1.62 1.60 0.48 0.31 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 82 L 7.15 5.22 0.00 1.70 1.70 0.92 0.96 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 83 S 8.79 4.47 0.00 3.96 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 84 S 7.48 4.59 0.00 3.95 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 85 P 0.00 4.38 0.00 2.06 2.03 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 2.02 2.10 0.00 86 P 0.00 4.19 0.00 1.94 2.04 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 87 N 8.98 4.62 0.00 2.86 2.69 0.00 0.00 6.70 7.95 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 88 I 8.23 4.84 1.90 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 1.38 0.88 0.97 0.00 0.00 89 E 9.33 4.82 0.00 2.09 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 2.31 2.37 0.00 90 K 8.78 4.62 0.00 1.69 1.79 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.47 7.81 91 V 8.74 4.58 2.24 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 1.20 0.00 0.00 1.17 0.00 0.00 92 E 8.88 4.73 0.00 1.93 1.90 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 2.32 2.37 0.00 93 L 8.71 4.51 0.00 1.60 1.69 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.87 4.09 0.00 1.65 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.57 4.39 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.39 4.59 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 97 K 8.64 4.60 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.43 7.81 98 L 8.17 4.98 0.00 1.64 1.55 0.97 1.15 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 99 P 0.00 4.31 0.00 2.19 2.08 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 100 A 7.62 4.18 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 * Residues marked with a * may have inaccurate shift predictions.