NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.8619 8.4293 117.8395 55.9841 29.8013 171.8329 1 M 4.7808 8.0084 117.1655 51.7540 33.6990 174.1459 2 T 4.2557 9.2142 113.3314 61.1234 72.5764 177.0459 3 M 4.0942 8.4652 120.3265 58.5103 31.9379 178.6645 4 E 3.9655 8.1270 118.8816 59.4536 29.8734 178.7446 5 Q 4.0038 8.1517 118.1341 58.7412 28.6836 178.2453 6 F 4.1004 8.4512 121.8589 61.5807 38.9310 177.1787 7 L 3.7522 8.0897 118.2270 58.1547 41.3766 179.8229 8 T 3.9253 7.7884 115.4092 66.4059 68.3628 176.8745 9 S 4.0580 8.1767 116.6540 61.2591 62.7816 176.4346 10 L 3.6736 7.2312 122.1416 57.9274 41.3905 179.3562 11 D 4.3587 7.3838 115.2207 57.5801 40.4928 178.8110 12 M 4.0687 7.5922 117.9467 58.2846 32.1356 178.5984 13 I 3.7809 8.1625 120.3103 64.3491 37.2673 178.1649 14 R 4.1197 7.9705 119.7797 59.8263 29.6290 178.5741 15 S 4.3809 8.0609 112.6162 61.1186 62.9498 175.9119 16 G 3.8887 7.8077 106.6331 45.5921 0.0000 173.2852 17 C 4.9989 7.9289 116.8551 58.3687 43.8388 175.8467 18 A 4.2641 8.9608 122.9274 54.9966 17.9882 177.8866 19 P 4.3879 0.0000 0.0000 65.1351 31.4564 177.6275 20 K 3.9342 7.7567 115.8385 57.4915 32.0769 176.2908 21 F 4.9746 7.9384 116.4097 55.4377 42.7666 174.1662 22 K 4.4546 9.5329 123.7426 54.9839 31.9301 175.4184 23 L 4.8410 8.1252 125.3557 52.2210 45.5031 176.8746 24 K 4.3677 8.2677 120.8738 55.5659 33.9592 178.1216 25 T 3.8413 8.5423 121.3286 66.8446 68.4241 176.3930 26 E 4.0689 8.0406 118.8205 59.2388 29.5875 178.9562 27 D 3.9632 7.7306 119.4409 57.1693 40.9918 178.4199 28 L 3.9857 7.7795 119.4630 57.7882 41.6333 179.0895 29 D 4.3850 8.4720 119.2357 57.7086 40.7933 179.3917 30 R 4.0565 7.7191 117.7893 59.2991 30.0622 179.1761 31 L 3.8904 8.0733 118.8269 57.6571 41.6429 179.4853 32 R 4.8846 8.4083 120.2471 58.2186 29.6697 177.9821 33 V 4.2965 7.2981 108.2952 60.7632 31.7762 176.0637 34 G 4.3905 8.3574 106.6474 46.9661 0.0000 174.2490 35 D 4.8051 8.6367 121.0883 53.0506 39.9559 175.4696 36 F 4.5160 8.8041 122.8042 57.2600 39.7347 176.9849 37 N 4.8638 8.4710 119.8131 51.4506 37.3825 174.7842 38 F 4.8801 7.0275 110.3546 55.0569 40.7971 172.6860 39 P 4.2061 0.0000 0.0000 62.0072 31.6097 174.6378 40 P 4.3259 0.0000 0.0000 61.6982 32.6132 176.5534 41 S 4.3761 8.0774 115.3554 57.6543 65.3567 175.0334 42 Q 3.8490 8.4198 122.3745 59.3798 28.6651 177.8759 43 D 4.4067 8.0805 119.3350 57.4395 40.9248 178.4869 44 L 3.8638 7.9001 120.5518 58.3211 42.1514 178.8345 45 M 3.9586 7.7451 118.5272 58.7871 31.9053 178.2650 46 C 4.3347 8.3262 116.7470 59.7060 40.3505 175.4517 47 Y 3.4991 7.5002 122.0406 60.7714 38.3616 178.3906 48 T 4.2461 7.9968 110.6303 64.7773 68.7230 176.2959 49 K 4.1225 7.9135 121.9999 59.4254 32.2510 177.9212 50 C 4.3496 8.4089 118.8850 59.6536 41.9304 175.7495 51 V 3.3635 7.7602 119.5008 66.0075 31.1882 177.9375 52 A 4.1541 8.3211 120.4965 55.1205 18.3503 179.5620 53 L 3.9897 8.5526 118.0420 58.1561 41.4655 179.3678 54 M 4.0252 7.9225 116.9679 58.6056 32.2984 177.8981 55 A 4.1894 7.8799 119.3712 52.7829 18.5003 178.1533 56 G 3.8709 7.6025 104.6894 46.6043 0.0000 174.6577 57 T 4.3284 7.8949 110.0237 61.5059 69.7660 174.5989 58 V 5.1748 7.7528 113.6074 58.3644 35.5486 174.4734 59 N 4.8261 8.2148 118.9588 51.3913 39.1964 175.7924 60 K 4.1244 8.4334 116.3372 58.6256 32.0517 178.1671 61 K 4.1990 8.2633 117.6942 56.1678 32.3038 178.0437 62 G 3.9865 8.4444 107.5159 45.7485 0.0000 173.5832 63 E 4.0501 8.5274 120.8901 55.3849 29.7771 176.1568 64 F 4.6343 8.4006 126.9859 58.0747 40.1295 174.9474 65 N 4.5075 8.0807 126.8938 51.2492 38.6261 174.9793 66 A 3.6368 7.8159 128.3564 54.4368 18.8286 177.0277 67 P 4.1405 0.0000 0.0000 65.7188 31.3085 178.7986 68 K 3.9136 8.1629 117.7641 59.1689 32.1528 178.6317 69 A 3.9872 8.1275 121.5593 55.3163 18.0824 179.6054 70 L 3.9413 7.9170 115.9811 57.9690 41.7664 179.3996 71 A 4.1357 7.8441 119.7005 55.1002 18.6190 179.2821 72 Q 4.2319 8.4170 116.3497 57.9501 28.8720 178.2396 73 L 3.9301 7.7733 120.7590 57.7578 41.5286 177.8633 74 P 4.4856 0.0000 0.0000 65.1911 31.3095 177.3263 75 H 4.6883 8.3011 113.2093 56.0521 29.0158 175.4211 76 L 4.6733 7.6547 119.5367 55.3136 43.9438 176.9061 77 V 4.3210 7.9989 109.7258 58.3793 35.1442 173.6409 78 P 4.7161 0.0000 0.0000 60.8409 32.5721 175.2934 79 P 4.2118 0.0000 0.0000 66.1774 30.8815 178.5966 80 E 4.0459 8.1875 115.4017 58.7028 29.6451 178.0141 81 M 4.5039 7.9869 117.0185 54.9019 32.8661 177.4502 82 M 3.9559 7.8015 120.6724 58.4587 32.2089 178.1390 83 E 3.8590 8.0255 118.7119 59.3900 29.9004 178.0293 84 M 3.9505 8.0385 117.7401 58.9957 32.1684 178.2446 85 S 3.9942 8.0344 114.9219 61.4961 62.9768 176.6735 86 R 3.8978 8.4603 121.0328 59.4242 29.8916 179.0457 87 K 3.8980 8.3825 118.3313 59.8616 32.0578 179.6192 88 S 4.1359 8.1986 115.2701 61.2453 62.4668 176.7258 89 V 3.7702 8.0406 121.4781 66.2450 31.0589 177.9498 90 E 4.0416 8.0119 116.5607 59.5340 29.4133 179.0463 91 A 4.2008 8.0327 119.5457 54.2703 18.8123 177.4887 92 C 4.8840 8.3037 112.3180 55.7324 41.0043 175.9560 93 R 4.2263 7.9072 118.3822 58.8499 29.1690 177.2070 94 D 4.8209 7.9623 115.8153 54.1839 42.0759 177.8208 95 T 3.8870 7.7490 117.9125 67.0958 68.2967 175.8317 96 H 4.5569 8.2699 116.0024 58.2529 28.3621 177.1472 97 K 4.1130 7.6008 119.9237 58.1679 32.0175 178.1351 98 Q 3.9858 7.4843 116.9087 55.5760 29.1710 175.4340 99 F 5.0134 7.1507 117.6200 55.6042 42.6412 174.6976 100 K 4.4038 8.7643 121.3087 57.5104 33.8177 177.3970 101 E 4.3978 7.9875 119.3014 55.0633 31.5633 176.9938 102 S 4.3983 8.5277 122.7950 61.4370 63.1973 177.4895 103 C 4.3139 8.5213 119.8994 59.4937 39.4502 175.4818 104 E 3.7572 8.7557 121.1877 59.2184 29.1815 178.7877 105 R 3.9565 8.1251 118.2413 59.5281 30.1207 179.2352 106 V 3.5279 7.6035 117.2292 66.0142 31.5068 177.3275 107 Y 3.8789 7.8491 120.5802 60.2827 38.6149 178.2477 108 Q 3.5150 8.0782 119.0954 58.9411 28.5677 178.9969 109 T 3.3233 7.3542 116.2091 66.1882 68.3929 176.6434 110 A 3.2216 7.3956 122.9568 54.6202 18.2279 179.6026 111 K 2.4800 6.9524 118.1628 59.0593 32.0407 178.1012 112 C 3.9399 7.5205 118.6924 59.5311 44.2270 175.3530 113 F 4.1330 7.4398 119.6027 60.7740 38.2671 177.8464 114 S 3.3615 6.7088 111.8844 61.2457 62.6195 175.9641 115 E 4.0600 7.5648 121.0781 58.5208 29.4304 178.0620 116 N 4.6165 8.1072 114.6592 52.8671 39.0761 175.3884 117 A 3.9486 7.2989 124.4259 52.7435 18.6067 176.6977 118 D 4.7950 8.7711 122.1885 53.1755 39.9754 176.3853 119 G 4.0724 7.3570 107.4707 45.1441 0.0000 172.1598 120 Q 4.2050 8.7179 118.7221 55.9123 29.6064 175.2404 121 F 5.1372 8.9017 124.2880 56.6850 42.4412 173.6444 122 M 5.2697 7.8955 123.9384 52.1963 35.2867 174.3415 123 W 4.7278 8.7164 133.0204 54.5683 33.7490 174.0622 124 P 4.2964 0.0000 0.0000 62.9826 30.7052 176.2125 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 *0 H 8.43 4.86 0.00 3.16 3.07 0.00 7.17 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.01 4.78 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.76 0.00 2 T 9.21 4.26 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 1.22 0.00 0.00 3 M 8.47 4.09 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.74 0.00 4 E 8.13 3.97 0.00 2.05 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 5 Q 8.15 4.00 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 6 F 8.45 4.10 0.00 3.11 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 7 L 8.09 3.75 0.00 1.74 1.68 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.79 3.93 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 1.18 0.00 0.00 9 S 8.18 4.06 0.00 3.92 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 10 L 7.23 3.67 0.00 1.61 1.58 0.66 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.38 4.36 0.00 2.83 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 12 M 7.59 4.07 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 13 I 8.16 3.78 1.84 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.40 0.74 0.00 0.00 14 R 7.97 4.12 0.00 2.22 2.16 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.87 0.00 15 S 8.06 4.38 0.00 4.10 4.13 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 16 G 7.81 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 17 C 7.93 5.00 0.00 3.06 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 18 A 8.96 4.26 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 19 P 0.00 4.39 0.00 2.06 2.14 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 20 K 7.76 3.93 0.00 1.02 1.12 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.35 7.81 21 F 7.94 4.97 0.00 3.08 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 22 K 9.53 4.45 0.00 1.69 1.91 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.40 7.81 23 L 8.13 4.84 0.00 1.55 1.38 0.71 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.27 4.37 0.00 1.90 1.83 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.50 7.81 25 T 8.54 3.84 4.20 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 0.00 0.00 0.00 1.18 0.00 0.00 26 E 8.04 4.07 0.00 2.01 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 2.22 2.21 0.00 27 D 7.73 3.96 0.00 2.87 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 28 L 7.78 3.99 0.00 1.78 1.67 0.76 0.55 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 29 D 8.47 4.39 0.00 2.75 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 30 R 7.72 4.06 0.00 1.82 2.21 0.00 2.72 0.00 0.00 2.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 31 L 8.07 3.89 0.00 1.93 1.70 0.79 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.41 4.88 0.00 2.07 2.22 0.00 3.14 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 33 V 7.30 4.30 2.17 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 0.78 0.00 0.00 1.10 0.00 0.00 34 G 8.36 4.39 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 0.00 35 D 8.64 4.81 0.00 2.71 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 36 F 8.80 4.52 0.00 2.86 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 37 N 8.47 4.86 0.00 3.01 2.90 0.00 0.00 6.70 6.96 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 38 F 7.03 4.88 0.00 3.08 2.93 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 39 P 0.00 4.21 0.00 2.06 2.01 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 40 P 0.00 4.33 0.00 1.46 1.12 0.00 3.48 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.44 0.00 41 S 8.08 4.38 0.00 4.04 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 42 Q 8.42 3.85 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 43 D 8.08 4.41 0.00 2.82 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 44 L 7.90 3.86 0.00 1.68 1.62 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 M 7.75 3.96 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.63 0.00 46 C 8.33 4.33 0.00 2.78 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 47 Y 7.50 3.50 0.00 2.54 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 48 T 8.00 4.25 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 1.27 0.00 0.00 49 K 7.91 4.12 0.00 1.92 2.09 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.52 1.52 7.81 50 C 8.41 4.35 0.00 3.34 3.37 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 0.00 51 V 7.76 3.36 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 0.27 0.00 0.00 0.38 0.00 0.00 52 A 8.32 4.15 1.61 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 53 L 8.55 3.99 0.00 1.93 1.77 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 54 M 7.92 4.03 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 55 A 7.88 4.19 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 56 G 7.60 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.89 4.33 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 1.39 0.00 0.00 58 V 7.75 5.17 2.17 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 1.27 0.00 0.00 1.00 0.00 0.00 59 N 8.21 4.83 0.00 2.95 2.98 0.00 0.00 5.96 7.20 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 60 K 8.43 4.12 0.00 1.79 1.94 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.49 7.81 61 K 8.26 4.20 0.00 1.96 1.86 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.40 7.81 62 G 8.44 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 63 E 8.53 4.05 0.00 2.18 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 0.00 2.41 2.29 0.00 64 F 8.40 4.63 0.00 2.91 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 65 N 8.08 4.51 0.00 2.62 2.47 0.00 0.00 6.72 9.28 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 66 A 7.82 3.64 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 67 P 0.00 4.14 0.00 2.12 2.10 0.00 3.73 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 2.09 2.14 0.00 68 K 8.16 3.91 0.00 1.80 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.42 7.81 69 A 8.13 3.99 1.37 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 0.00 0.00 0.00 70 L 7.92 3.94 0.00 1.79 1.75 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.84 4.14 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 72 Q 8.42 4.23 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.61 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 73 L 7.77 3.93 0.00 1.83 1.73 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.49 0.00 1.81 2.03 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 75 H 8.30 4.69 0.00 3.17 3.34 0.00 5.60 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.65 4.67 0.00 1.73 1.72 0.98 0.87 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 77 V 8.00 4.32 1.74 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 0.65 0.00 0.00 0.89 0.00 0.00 78 P 0.00 4.72 0.00 2.35 2.29 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 79 P 0.00 4.21 0.00 2.14 2.14 0.00 3.57 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 80 E 8.19 4.05 0.00 1.83 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 0.00 2.29 2.44 0.00 81 M 7.99 4.50 0.00 1.78 1.82 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 82 M 7.80 3.96 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.80 0.00 83 E 8.03 3.86 0.00 2.05 1.92 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 2.36 2.41 0.00 84 M 8.04 3.95 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.67 0.00 85 S 8.03 3.99 0.00 4.00 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 86 R 8.46 3.90 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 87 K 8.38 3.90 0.00 1.90 1.85 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.74 7.81 88 S 8.20 4.14 0.00 3.73 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 89 V 8.04 3.77 2.29 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 1.31 0.00 0.00 1.00 0.00 0.00 90 E 8.01 4.04 0.00 2.02 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 2.60 2.49 0.00 91 A 8.03 4.20 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 92 C 8.30 4.88 0.00 3.15 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 93 R 7.91 4.23 0.00 2.17 2.53 0.00 3.13 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 94 D 7.96 4.82 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.75 3.89 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 1.22 0.00 0.00 96 H 8.27 4.56 0.00 3.52 3.66 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.60 4.11 0.00 1.78 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.07 7.81 98 Q 7.48 3.99 0.00 0.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.67 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 99 F 7.15 5.01 0.00 2.96 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 0.00 100 K 8.76 4.40 0.00 1.78 1.88 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 101 E 7.99 4.40 0.00 2.04 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 0.00 2.38 2.32 0.00 102 S 8.53 4.40 0.00 4.18 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 0.00 103 C 8.52 4.31 0.00 3.23 3.12 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 0.00 104 E 8.76 3.76 0.00 1.97 2.06 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 2.21 1.76 0.00 105 R 8.13 3.96 0.00 2.15 2.22 0.00 3.38 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 106 V 7.60 3.53 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 1.22 0.00 0.00 1.05 0.00 0.00 107 Y 7.85 3.88 0.00 3.02 2.80 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 0.00 108 Q 8.08 3.52 0.00 1.64 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.05 1.16 0.00 109 T 7.35 3.32 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 0.04 0.00 0.00 110 A 7.40 3.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 K 6.95 2.48 0.00 0.92 1.32 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.13 1.21 7.81 112 C 7.52 3.94 0.00 2.83 2.83 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 0.00 113 F 7.44 4.13 0.00 2.58 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 0.00 0.00 0.00 0.00 114 S 6.71 3.36 0.00 4.20 3.33 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 0.00 115 E 7.56 4.06 0.00 1.93 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 2.26 2.28 0.00 116 N 8.11 4.62 0.00 2.68 2.81 0.00 0.00 6.98 7.61 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 0.00 117 A 7.30 3.95 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 0.00 118 D 8.77 4.80 0.00 2.79 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 0.00 119 G 7.36 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 0.00 0.00 0.00 120 Q 8.72 4.20 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 121 F 8.90 5.14 0.00 3.09 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 0.00 122 M 7.90 5.27 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.42 0.00 123 W 8.72 4.73 0.00 3.74 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 0.00 124 P 0.00 4.30 0.00 1.75 1.88 0.00 2.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.