NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3140 0.0000 0.0000 62.3168 33.8637 174.4405 3 R 4.5758 7.8370 119.4977 55.0760 31.5634 174.3326 4 Y 4.9816 9.0055 120.7793 56.0106 43.1107 173.8954 5 Q 4.8837 8.9943 121.6605 54.4461 32.0987 173.7284 6 A 5.1860 9.5742 128.8037 50.7513 21.8757 175.6409 7 T 4.7842 9.2816 119.9152 62.1546 70.1425 173.1646 8 L 5.1483 8.7765 127.4307 53.0357 44.1282 175.6961 9 L 5.1262 8.9611 123.9806 53.0674 44.3740 175.4798 10 I 4.6912 9.1034 125.1372 59.8912 39.3257 174.5203 11 E 5.1020 8.8956 126.1431 53.8878 33.6961 175.5720 12 L 4.4392 8.3532 121.0710 54.4568 42.4312 177.7285 13 K 4.2482 8.6027 122.3147 55.5913 32.9639 176.5471 14 K 4.0662 8.2256 120.1678 58.1086 32.4284 176.6313 15 G 4.1044 8.8858 110.4917 45.6474 0.0000 174.2586 16 I 3.8330 7.0391 120.5899 60.6230 37.4952 176.0143 17 L 4.0377 8.5399 125.5034 55.3659 42.3684 177.2209 18 D 4.9051 8.3374 122.6043 50.7895 41.2337 173.6720 19 P 4.2279 0.0000 0.0000 66.0010 31.3130 178.2961 20 Q 4.0635 8.1908 117.6796 58.3769 28.6311 179.0318 21 G 3.8175 9.2962 108.9182 47.3466 0.0000 175.7135 22 R 4.1840 8.6865 122.4555 58.1751 30.0841 178.8874 23 A 3.9674 8.4250 120.7721 55.2820 18.3309 179.8006 24 V 3.5316 8.1268 116.9890 66.1021 31.1188 177.9214 25 E 4.0371 8.4300 118.4785 59.4787 29.4499 179.3429 26 G 3.8032 8.2000 105.7119 48.0038 0.0000 175.7651 27 V 3.6855 7.9504 120.6256 65.8084 31.6362 177.8015 28 L 4.0036 8.2221 119.1296 58.1570 41.4704 179.9644 29 K 4.0415 8.1649 118.0793 59.4876 31.8826 178.9700 30 D 4.5810 7.8998 117.0411 55.9329 40.7235 177.5295 31 L 4.6492 7.4906 118.3952 53.8646 42.0247 176.7322 32 G 3.8480 8.0017 106.5368 46.4204 0.0000 174.2233 33 H 4.9992 8.2735 113.7486 53.3193 29.3173 172.7268 34 P 4.2834 0.0000 0.0000 63.4464 32.0611 176.7707 35 V 4.6189 7.9152 114.0003 59.5568 35.7219 175.5984 36 E 4.1825 8.7873 120.7237 59.0984 29.7539 177.2231 37 E 4.9138 7.5537 115.6740 54.9948 32.5729 174.0477 38 V 4.3757 9.1845 124.3836 61.0345 34.1094 174.4167 39 R 4.7485 8.6480 125.7686 54.3209 32.2972 175.0531 40 V 4.2748 9.2759 123.6275 61.1660 32.9079 175.0735 41 G 4.2154 8.2997 115.2349 44.1637 0.0000 170.8232 42 K 4.8606 8.6533 117.8436 54.3995 35.3752 175.9642 43 V 4.9304 8.3828 122.2935 59.8875 34.1879 174.7203 44 L 4.7457 9.1087 123.7160 53.0221 44.9572 175.2387 45 E 4.9002 8.9485 124.0117 55.2578 30.7143 175.5083 46 I 4.5546 8.8928 126.7337 59.4173 40.0004 174.8751 47 V 5.0235 8.5109 127.3721 61.3543 33.0070 174.6698 48 F 5.1519 8.8085 121.8385 55.2240 41.4259 171.6517 49 P 5.1922 0.0000 0.0000 62.8145 32.6689 174.6355 50 A 4.6554 8.5336 121.1360 51.3669 22.0857 176.7328 51 E 4.1021 9.3525 119.9921 59.2839 29.8608 177.6796 52 N 5.1007 7.5855 115.4060 51.3308 41.2477 174.7253 53 L 3.5463 8.5617 121.6393 58.2638 41.9676 178.9335 54 L 3.9432 7.8368 118.4349 57.7500 41.6359 178.8862 55 E 3.9605 9.1402 119.3439 58.8027 29.4828 178.7744 56 A 4.0508 7.8482 121.1661 55.0284 18.3882 179.0578 57 E 3.8706 7.9838 117.8423 59.4854 29.7064 178.5692 58 E 3.9135 8.0187 118.3408 59.6638 29.3853 179.6095 59 K 3.8204 8.0399 116.6442 59.2923 32.1799 178.8369 60 A 3.8826 8.2563 120.0673 55.2304 18.5390 179.4904 61 K 3.9297 8.5041 116.9599 59.3109 32.1635 179.9931 62 A 4.1738 7.7181 117.9145 52.7521 18.1379 179.3245 *64 G 3.0587 8.0874 111.1143 46.6899 0.0000 176.0378 65 A 4.0774 7.3022 122.1847 54.4887 18.5879 178.5212 66 L 4.1135 7.4594 116.9117 57.6724 42.2963 177.9725 67 L 4.1178 7.6040 116.7346 56.1374 42.1216 176.6039 68 A 4.4332 7.6941 122.3515 50.8707 19.2312 176.3893 69 N 4.4817 9.7050 123.1352 52.7502 39.1054 172.7577 70 P 4.3310 0.0000 0.0000 65.9883 31.4469 177.4337 71 V 3.7932 7.2967 112.6496 63.6594 31.2984 174.7124 *73 E 4.4910 7.7313 117.0944 56.9795 30.9685 175.0013 74 V 4.6928 8.6709 112.7090 59.9769 36.1818 174.7057 75 Y 5.3347 8.1696 120.3071 55.6597 41.2302 174.7244 76 A 4.4132 8.7642 120.3160 50.9091 23.0632 175.7367 77 L 4.4674 8.8106 125.8776 54.2261 40.7289 175.6865 78 E 4.2599 9.2098 126.9974 58.7579 30.4492 176.3347 79 A 4.7524 7.8228 118.3327 50.9436 22.8942 175.2723 80 L 5.1246 8.3351 121.8158 53.8075 45.0897 175.0438 81 K 4.8168 8.9480 124.5747 55.1935 36.4231 175.1499 82 E 4.0814 8.8402 122.9001 56.2491 30.3020 175.8222 83 L 4.6200 8.5263 126.6049 52.1507 44.0678 175.0747 84 P 4.3227 0.0000 0.0000 63.1292 31.2575 176.5137 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 P 0.00 4.31 0.00 1.33 1.91 0.00 3.88 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 1.99 2.07 0.00 3 R 7.84 4.58 0.00 1.65 1.69 0.00 3.02 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 4 Y 9.01 4.98 0.00 1.89 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 5 Q 8.99 4.88 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 6 A 9.57 5.19 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 7 T 9.28 4.78 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 1.28 0.00 0.00 8 L 8.78 5.15 0.00 1.60 1.60 0.83 0.37 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 9 L 8.96 5.13 0.00 1.61 1.59 0.99 0.96 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 10 I 9.10 4.69 1.90 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 1.30 0.84 0.98 0.00 0.00 11 E 8.90 5.10 0.00 1.89 1.81 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 2.22 2.26 0.00 12 L 8.35 4.44 0.00 1.53 1.60 0.99 0.90 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 13 K 8.60 4.25 0.00 1.81 1.73 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.46 7.81 14 K 8.23 4.07 0.00 1.71 1.74 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 15 G 8.89 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 16 I 7.04 3.83 2.00 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 0.45 0.91 0.00 0.00 17 L 8.54 4.04 0.00 1.63 1.62 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.34 4.91 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.23 0.00 2.30 2.32 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 20 Q 8.19 4.06 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 21 G 9.30 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 22 R 8.69 4.18 0.00 2.11 2.00 0.00 3.30 0.00 0.00 3.27 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 23 A 8.43 3.97 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 24 V 8.13 3.53 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 1.10 0.00 0.00 1.02 0.00 0.00 25 E 8.43 4.04 0.00 2.15 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 2.39 2.64 0.00 26 G 8.20 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 27 V 7.95 3.69 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 1.03 0.00 0.00 1.01 0.00 0.00 28 L 8.22 4.00 0.00 1.88 1.97 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.16 4.04 0.00 2.12 1.85 0.00 1.59 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.53 7.81 30 D 7.90 4.58 0.00 2.80 2.73 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 0.00 0.00 0.00 31 L 7.49 4.65 0.00 1.82 1.70 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.00 3.85 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 0.00 0.00 0.00 33 H 8.27 5.00 0.00 3.22 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.28 0.00 2.04 2.02 0.00 3.62 0.00 0.00 3.59 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 35 V 7.92 4.62 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 0.80 0.00 0.00 0.94 0.00 0.00 36 E 8.79 4.18 0.00 1.96 2.00 0.00 0.00 0.00 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 2.29 0.00 37 E 7.55 4.91 0.00 1.88 1.76 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 2.20 2.28 0.00 38 V 9.18 4.38 2.27 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 0.95 0.00 0.00 0.93 0.00 0.00 39 R 8.65 4.75 0.00 1.80 1.81 0.00 3.24 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 40 V 9.28 4.27 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 0.76 0.00 0.00 0.96 0.00 0.00 41 G 8.30 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 42 K 8.65 4.86 0.00 1.69 1.69 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.35 7.81 43 V 8.38 4.93 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 0.76 0.00 0.00 0.95 0.00 0.00 44 L 9.11 4.75 0.00 1.58 1.58 0.93 0.73 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 45 E 8.95 4.90 0.00 1.87 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 2.27 2.29 0.00 46 I 8.89 4.55 1.98 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 1.09 0.57 0.98 0.00 0.00 47 V 8.51 5.02 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 0.85 0.00 0.00 0.96 0.00 0.00 48 F 8.81 5.15 0.00 3.21 3.08 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 49 P 0.00 5.19 0.00 2.16 2.12 0.00 4.02 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 50 A 8.53 4.66 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 51 E 9.35 4.10 0.00 2.21 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 2.48 2.42 0.00 52 N 7.59 5.10 0.00 2.98 2.92 0.00 0.00 6.35 6.67 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 53 L 8.56 3.55 0.00 1.86 1.73 0.96 0.59 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 54 L 7.84 3.94 0.00 1.95 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 55 E 9.14 3.96 0.00 1.97 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 2.33 2.33 0.00 56 A 7.85 4.05 0.61 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 0.00 0.00 57 E 7.98 3.87 0.00 2.05 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 2.33 2.39 0.00 58 E 8.02 3.91 0.00 2.28 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 2.33 2.43 0.00 59 K 8.04 3.82 0.00 1.81 1.56 0.00 1.97 0.00 0.00 1.84 0.00 0.00 3.10 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.43 1.59 7.81 60 A 8.26 3.88 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 61 K 8.50 3.93 0.00 1.94 1.95 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.67 1.66 7.81 62 A 7.72 4.17 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 *64 G 8.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.30 4.08 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 66 L 7.46 4.11 0.00 1.76 1.61 0.86 0.86 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 67 L 7.60 4.12 0.00 1.61 1.68 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.69 4.43 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.71 4.48 0.00 2.66 2.88 0.00 0.00 7.23 7.99 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 70 P 0.00 4.33 0.00 2.08 2.15 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 71 V 7.30 3.79 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 0.76 0.00 0.00 0.93 0.00 0.00 *73 E 7.73 4.49 0.00 1.95 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 0.00 2.23 2.37 0.00 74 V 8.67 4.69 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 0.78 0.00 0.00 0.95 0.00 0.00 75 Y 8.17 5.33 0.00 2.90 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 76 A 8.76 4.41 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 77 L 8.81 4.47 0.00 1.81 1.72 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 78 E 9.21 4.26 0.00 2.04 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 0.00 2.34 2.34 0.00 79 A 7.82 4.75 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 80 L 8.34 5.12 0.00 1.66 1.55 1.06 0.53 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 81 K 8.95 4.82 0.00 1.87 1.86 0.00 1.36 0.00 0.00 1.59 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.34 1.39 7.81 82 E 8.84 4.08 0.00 1.91 1.77 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 1.96 1.54 0.00 83 L 8.53 4.62 0.00 1.44 1.48 0.87 -0.11 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 84 P 0.00 4.32 0.00 1.99 1.94 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 * Residues marked with a * may have inaccurate shift predictions.