NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 G 3.9462 8.3549 109.7257 45.6028 0.0000 175.1426 17 I 3.6801 7.2740 119.7584 62.6230 37.5976 175.5454 18 T 3.9328 7.9027 116.6099 63.1381 69.8067 174.2918 19 G 3.6729 7.8008 113.2922 44.8284 0.0000 170.8517 20 T 4.7886 7.6464 117.1376 61.9695 69.7998 174.7311 21 W 4.9564 9.2233 125.7246 54.9609 33.4733 173.8738 22 Y 5.4664 9.2733 120.9426 56.5808 40.5410 175.6060 23 N 5.2249 8.5413 121.9652 51.0456 39.5370 174.8228 24 Q 4.1630 7.8480 113.6654 58.6672 28.7795 177.3799 25 L 4.6484 8.0014 116.6005 54.3747 42.2228 176.6046 26 G 4.0190 8.4658 104.2315 46.6428 0.0000 174.4756 27 S 4.7568 8.5622 115.5393 57.9475 64.8484 173.3289 28 T 5.1464 9.2047 119.9003 61.9245 71.2576 173.1177 29 F 4.8864 9.4201 125.5355 55.6336 42.1219 174.3580 30 I 4.7907 8.8075 125.5287 59.7249 39.1304 175.1045 31 V 4.7372 8.7948 120.9504 59.6029 35.3826 174.9471 32 T 4.6840 8.7817 121.2585 61.7252 70.8424 173.2898 33 A 4.4128 8.6635 130.1004 50.3641 19.4690 177.2935 34 G 3.8354 9.3731 111.8356 45.4607 0.0000 174.0618 35 A 4.1313 8.5138 123.2539 54.3159 18.5979 178.3008 36 D 4.5486 8.1016 113.5735 53.3950 40.0336 177.2353 37 G 3.4382 8.4191 108.8471 44.9583 0.0000 173.0483 38 A 4.9173 8.0329 122.1891 51.2659 20.3464 176.7081 39 L 5.2982 9.0976 121.5288 53.1301 44.8254 175.9159 40 T 4.8879 9.2013 113.0188 59.5103 72.5565 174.5361 41 G 4.2703 7.4296 107.6673 46.2007 0.0000 171.2914 42 T 5.0674 7.4689 109.2411 59.8973 72.9970 172.8661 43 A 4.4323 8.7904 124.7946 50.0002 21.8252 175.0198 44 E 4.9953 9.3259 122.7701 55.1304 31.9544 176.8044 45 S 4.4522 8.8895 121.0437 60.1938 63.9987 175.7779 *51 E 3.8525 8.1984 116.4999 55.7343 31.2362 176.2884 52 S 4.9082 7.8121 113.7475 57.9722 64.5588 172.8715 53 R 5.1711 7.6460 120.0455 54.8363 31.9382 174.6491 54 Y 4.8186 9.0064 122.7514 55.9801 42.6326 174.8036 55 V 4.2693 8.5299 122.4621 62.7657 32.7287 175.0582 56 L 5.1100 8.5938 127.3502 54.5335 43.5132 175.0930 57 T 4.9348 8.4065 114.1161 61.4401 71.5544 173.4464 58 G 4.0806 8.5219 111.2065 46.7248 0.0000 172.1741 59 R 5.5887 8.4005 117.6982 55.0034 34.8798 174.0521 60 Y 5.2641 8.6476 118.5450 55.3967 41.5096 174.5743 61 D 4.3094 8.9845 120.4098 53.8531 40.5239 176.8159 62 S 4.1801 8.0389 120.7074 59.0675 63.8087 174.7449 63 A 4.6343 7.8987 123.7663 50.0616 18.6673 173.8507 64 P 4.7260 0.0000 0.0000 60.6034 32.8652 177.1255 65 A 4.3161 8.3041 122.4088 52.4825 19.2701 177.3012 66 T 4.7412 8.1706 107.4259 61.7980 68.8202 174.2594 67 D 4.7900 8.3219 116.1388 54.0507 40.0529 177.0827 68 G 3.9503 8.3844 106.5351 45.8332 0.0000 174.4022 69 S 4.3103 7.9139 115.5906 58.0947 63.4322 174.3856 70 G 4.0257 8.3132 110.6251 46.0626 0.0000 172.3777 71 T 4.8397 8.8396 116.5487 61.5799 70.5104 174.8464 72 A 4.7991 8.6798 128.9392 52.1199 20.0488 175.9579 73 L 4.9819 8.8857 120.6324 55.4071 44.7755 174.2125 74 G 4.5757 9.0796 104.7919 45.3274 0.0000 172.1891 75 W 5.8622 8.5847 117.6362 55.5035 32.4815 173.4547 76 T 5.3639 9.4995 116.8474 61.8521 72.0486 173.3103 77 V 4.6486 8.9603 125.2077 60.9432 33.9199 174.1296 78 A 4.4348 8.4176 130.1691 50.3396 19.5622 178.1068 79 W 4.2826 8.6538 126.1792 55.4591 28.1347 176.1986 80 K 5.3551 7.7761 118.3680 54.6552 35.2442 174.7012 81 N 4.9808 8.8077 124.0270 52.2515 38.8616 174.5767 82 N 4.2953 8.6861 113.0121 55.0456 39.1779 175.0932 83 Y 4.5583 7.4933 115.2767 58.6256 40.0041 175.7577 84 R 4.7771 8.7498 117.1602 55.0083 34.5550 173.7856 85 N 5.0291 8.5100 116.3305 53.4336 41.0509 173.7278 86 A 4.4264 9.1986 128.7262 51.4546 19.7945 176.0563 87 H 4.2097 8.8869 114.1688 56.4760 27.0722 173.8184 88 S 5.2708 7.5863 110.7130 57.4694 67.0719 173.4903 89 A 5.1003 9.1867 121.2479 50.7956 22.9209 175.1712 90 T 5.0584 8.8389 117.5143 61.7679 71.8951 173.3717 91 T 5.1355 8.5454 115.4308 59.6811 71.9737 172.7322 92 W 5.0533 9.1724 124.7902 54.8280 32.1254 174.5722 93 S 4.8920 8.9227 119.0700 56.7205 64.9077 173.1279 94 G 4.2807 8.3834 112.8342 46.7543 0.0000 171.6878 95 Q 5.2491 8.1596 117.7451 54.9194 32.7157 173.4588 96 Y 4.9205 9.1017 123.1379 56.9729 40.6200 174.2002 97 V 4.2512 8.5533 126.6691 60.8396 34.1272 175.5331 98 G 3.8550 8.0916 115.6322 45.4256 0.0000 170.0684 99 G 3.8104 8.8854 103.6028 43.9124 0.0000 172.7787 100 A 4.0842 8.6681 120.8685 55.1599 18.5566 179.0209 101 E 4.5223 7.6521 115.5216 54.2308 28.6394 175.4858 102 A 4.5549 7.8314 122.4377 52.3184 19.8169 177.3204 103 R 5.3204 9.2203 116.6090 55.2795 34.0184 173.8467 104 I 4.8561 8.9060 120.8666 59.7539 39.8040 174.4409 105 N 5.3565 8.9374 125.7600 52.1978 40.4436 174.6273 106 T 5.2131 9.1145 112.9545 60.1997 73.2393 172.5844 107 Q 5.1739 9.0781 121.0489 53.8691 32.2985 174.8391 108 W 5.3905 8.4652 118.5056 54.6647 32.3301 173.8960 109 L 5.3195 8.6474 120.1284 52.9401 45.0378 175.1816 110 L 5.1029 9.3308 126.1231 53.6541 44.5745 174.8783 111 T 5.0813 9.0388 123.6043 62.0021 71.0087 173.6705 112 S 5.1177 8.6428 122.4173 56.6193 65.2930 174.2569 113 G 3.9068 8.8852 111.6660 46.3171 0.0000 173.2828 114 T 4.7334 8.4004 114.7334 59.4683 71.9783 173.6329 115 T 4.3588 7.9966 112.5720 60.7473 70.0917 175.2903 116 E 3.8829 8.8735 120.1880 59.4606 29.3992 178.7567 117 A 4.7144 7.4496 118.5783 52.2703 19.1450 177.0143 118 N 4.9375 8.1448 113.1673 53.3409 39.7150 176.5076 119 A 4.2413 8.0485 122.1348 53.8686 18.6882 180.3864 120 W 4.3637 8.4039 112.5969 58.6268 28.1803 176.8201 121 K 4.0606 6.6690 117.4016 56.1685 32.1914 177.2080 122 S 4.2643 7.8917 115.4658 60.4165 63.6275 173.2932 123 T 5.1689 7.5506 117.4448 61.8634 71.0235 173.4902 124 L 4.7970 9.0428 127.0781 53.4374 44.1935 176.0189 125 V 4.4253 7.7316 119.7477 60.4377 34.5113 175.4698 126 G 3.1744 6.5866 107.5801 45.9926 0.0000 171.4649 127 H 5.3973 8.1466 114.0889 54.2926 31.9393 172.6305 128 D 5.0072 9.1853 118.2031 53.1194 45.9591 174.4645 129 T 5.0905 8.3686 117.6604 61.9324 71.8760 172.6974 130 F 5.5401 9.3028 125.3769 56.3859 41.4558 175.1758 131 T 5.4674 9.2386 118.3873 62.0425 72.7398 174.9253 132 K 3.7497 8.9312 120.9470 56.1182 32.7795 177.5247 133 V 3.6619 7.9288 123.5193 63.3276 32.4418 172.3702 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 16 G 8.35 3.95 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 0.00 0.00 0.00 17 I 7.27 3.68 1.37 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.19 0.55 0.00 0.00 18 T 7.90 3.93 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 1.20 0.00 0.00 19 G 7.80 3.67 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 20 T 7.65 4.79 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 0.81 0.00 0.00 21 W 9.22 4.96 0.00 3.04 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 22 Y 9.27 5.47 0.00 3.02 2.94 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 0.00 0.00 0.00 23 N 8.54 5.22 0.00 2.29 2.07 0.00 0.00 6.96 8.20 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 24 Q 7.85 4.16 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.44 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 L 8.00 4.65 0.00 1.67 1.68 0.98 0.93 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 26 G 8.47 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 27 S 8.56 4.76 0.00 4.39 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 28 T 9.20 5.15 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 1.18 0.00 0.00 29 F 9.42 4.89 0.00 2.95 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.81 4.79 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 1.13 0.89 0.83 0.00 0.00 31 V 8.79 4.74 1.67 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 0.22 0.00 0.00 0.74 0.00 0.00 32 T 8.78 4.68 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 1.16 0.00 0.00 33 A 8.66 4.41 0.67 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 34 G 9.37 3.84 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 0.00 0.00 0.00 35 A 8.51 4.13 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 36 D 8.10 4.55 0.00 2.78 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 37 G 8.42 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.03 4.92 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 39 L 9.10 5.30 0.00 1.72 1.52 0.68 0.74 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 40 T 9.20 4.89 4.19 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 1.20 0.00 0.00 41 G 7.43 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 0.00 0.00 0.00 0.00 42 T 7.47 5.07 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 1.14 0.00 0.00 43 A 8.79 4.43 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.33 5.00 0.00 1.84 1.83 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 2.13 2.32 0.00 45 S 8.89 4.45 0.00 3.84 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 *51 E 8.20 3.85 0.00 1.75 1.85 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 1.81 1.47 0.00 52 S 7.81 4.91 0.00 3.76 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 53 R 7.65 5.17 0.00 1.73 1.69 0.00 3.13 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 1.42 1.56 0.00 54 Y 9.01 4.82 0.00 2.76 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 V 8.53 4.27 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 0.76 0.00 0.00 0.91 0.00 0.00 56 L 8.59 5.11 0.00 1.86 1.60 0.51 0.20 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 57 T 8.41 4.93 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 1.25 0.00 0.00 58 G 8.52 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 59 R 8.40 5.59 0.00 1.76 1.79 0.00 3.30 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 60 Y 8.65 5.26 0.00 3.08 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 61 D 8.98 4.31 0.00 2.79 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 62 S 8.04 4.18 0.00 3.87 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.90 4.63 1.21 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 0.00 0.00 64 P 0.00 4.73 0.00 2.27 2.15 0.00 3.43 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 65 A 8.30 4.32 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 66 T 8.17 4.74 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 1.24 0.00 0.00 67 D 8.32 4.79 0.00 2.78 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 68 G 8.38 3.95 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 0.00 0.00 0.00 69 S 7.91 4.31 0.00 3.97 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 70 G 8.31 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 71 T 8.84 4.84 4.52 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 1.46 0.00 0.00 72 A 8.68 4.80 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 73 L 8.89 4.98 0.00 2.00 1.92 0.89 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.08 4.58 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 0.00 0.00 0.00 75 W 8.58 5.86 0.00 3.49 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 76 T 9.50 5.36 4.34 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 1.31 0.00 0.00 77 V 8.96 4.65 1.69 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 -0.40 0.00 0.00 0.96 0.00 0.00 78 A 8.42 4.43 1.21 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 0.00 0.00 79 W 8.65 4.28 0.00 3.27 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 80 K 7.78 5.36 0.00 1.92 1.72 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.45 7.81 81 N 8.81 4.98 0.00 2.83 2.58 0.00 0.00 6.69 7.08 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 82 N 8.69 4.30 0.00 1.96 2.36 0.00 0.00 6.61 7.46 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 83 Y 7.49 4.56 0.00 3.21 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 84 R 8.75 4.78 0.00 1.97 1.86 0.00 3.27 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 85 N 8.51 5.03 0.00 2.68 2.63 0.00 0.00 6.87 7.96 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 86 A 9.20 4.43 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 87 H 8.89 4.21 0.00 3.31 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.59 5.27 0.00 4.05 3.97 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 89 A 9.19 5.10 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 90 T 8.84 5.06 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 -0.48 0.00 0.00 91 T 8.55 5.14 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 1.23 0.00 0.00 92 W 9.17 5.05 0.00 1.93 2.26 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 93 S 8.92 4.89 0.00 3.77 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 94 G 8.38 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 0.00 0.00 0.00 0.00 95 Q 8.16 5.25 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 96 Y 9.10 4.92 0.00 2.96 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 97 V 8.55 4.25 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 0.92 0.00 0.00 0.88 0.00 0.00 98 G 8.09 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 0.00 0.00 0.00 99 G 8.89 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 100 A 8.67 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 0.00 101 E 7.65 4.52 0.00 1.98 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 2.25 2.30 0.00 102 A 7.83 4.55 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 0.00 103 R 9.22 5.32 0.00 2.10 2.18 0.00 3.03 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 104 I 8.91 4.86 1.56 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.80 0.00 0.00 105 N 8.94 5.36 0.00 2.69 2.77 0.00 0.00 6.06 6.51 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 0.00 106 T 9.11 5.21 4.48 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 1.19 0.00 0.00 107 Q 9.08 5.17 0.00 1.92 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 108 W 8.47 5.39 0.00 2.80 2.41 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 0.00 109 L 8.65 5.32 0.00 1.58 1.56 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.33 5.10 0.00 1.74 1.73 1.04 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.04 5.08 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 0.00 112 S 8.64 5.12 0.00 3.73 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 0.00 113 G 8.89 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 0.00 114 T 8.40 4.73 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 1.20 0.00 0.00 115 T 8.00 4.36 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 1.21 0.00 0.00 116 E 8.87 3.88 0.00 2.04 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 0.00 2.42 2.28 0.00 117 A 7.45 4.71 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 0.00 118 N 8.14 4.94 0.00 2.88 2.67 0.00 0.00 6.89 7.43 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 0.00 119 A 8.05 4.24 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 0.00 120 W 8.40 4.36 0.00 3.53 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 0.00 121 K 6.67 4.06 0.00 1.07 0.74 0.00 1.30 0.00 0.00 1.37 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.41 0.85 7.81 122 S 7.89 4.26 0.00 4.15 4.07 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 0.00 123 T 7.55 5.17 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 1.26 0.00 0.00 124 L 9.04 4.80 0.00 1.86 1.70 1.01 0.63 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 0.00 125 V 7.73 4.43 1.91 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 0.55 0.00 0.00 0.71 0.00 0.00 126 G 6.59 3.17 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 0.00 127 H 8.15 5.40 0.00 3.18 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.19 5.01 0.00 3.09 2.47 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 0.00 0.00 0.00 0.00 129 T 8.37 5.09 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 1.35 0.00 0.00 130 F 9.30 5.54 0.00 2.91 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 0.00 131 T 9.24 5.47 4.46 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 1.33 0.00 0.00 132 K 8.93 3.75 0.00 1.61 1.56 0.00 1.41 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.57 1.14 7.81 133 V 7.93 3.66 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 0.46 0.00 0.00 1.05 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.