NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3438 8.1693 120.6260 54.6112 43.1209 175.7256 5 R 4.2139 8.0653 118.2268 53.3806 32.0139 173.8838 6 I 2.6203 7.9819 122.0049 59.6597 38.7671 175.7407 7 P 4.0938 0.0000 0.0000 62.3440 31.7571 177.2982 8 K 3.9112 8.5763 122.7790 59.3576 32.2155 177.4645 9 N 4.7347 8.1229 113.4710 53.5554 38.0136 175.1378 10 W 4.7460 7.9640 119.1336 57.2538 30.2781 175.1068 11 T 4.9786 8.5598 111.1045 60.2090 72.7158 172.8160 12 I 3.9841 7.4847 122.7239 60.2626 36.6221 176.4240 13 Q 4.0769 8.7278 127.4054 58.6667 29.1764 176.5394 14 R 4.7134 7.4085 112.4637 55.0216 32.6805 174.2374 15 S 5.2042 8.4488 116.1834 57.0342 66.3258 174.0622 16 T 4.4196 8.5748 114.7665 60.3834 70.3097 172.6523 17 P 4.2831 0.0000 0.0000 61.7494 33.4284 175.2007 18 F 4.3981 8.1452 118.2837 57.5818 39.5112 175.3954 19 F 5.2991 9.0804 122.3435 56.1352 42.3528 174.7784 20 T 5.5006 8.8561 110.8853 59.0205 72.1222 174.5247 21 K 4.1898 8.9614 119.3946 59.8488 32.7473 177.8819 22 D 4.5930 7.8062 119.3322 56.3732 40.9621 176.8453 23 N 5.0978 8.0296 112.6751 52.0161 38.6305 174.6375 24 V 3.4303 7.6041 118.1703 61.2137 32.1521 174.0692 25 P 4.3441 0.0000 0.0000 62.0202 31.4582 177.0538 26 E 3.8436 9.0557 123.3638 59.7848 29.3605 179.3573 27 A 4.0277 7.9717 120.0808 55.1260 17.4205 179.4091 28 L 4.0423 8.1869 117.6901 57.4518 41.6489 178.9744 29 L 4.1714 7.5794 115.9043 56.2951 41.7865 176.6572 30 T 4.6389 6.9648 108.1195 59.5951 71.4869 174.0322 31 H 4.5493 8.7832 122.3551 57.3482 30.2954 173.4081 32 H 5.0738 8.9199 121.7301 54.4824 32.3870 171.4770 33 N 5.1012 7.8484 114.3545 49.7667 40.3101 174.0355 34 T 4.4706 8.2473 109.9429 60.4442 70.4937 173.7932 35 A 4.0968 8.6341 123.2554 52.1678 18.9345 179.1878 36 V 3.6776 8.4721 112.0181 64.4773 31.7880 177.1587 37 D 4.9358 7.5500 119.7022 53.6296 42.1075 175.0752 38 V 5.0676 7.9110 117.5757 61.3022 35.4659 173.7938 39 F 5.0139 9.8981 126.2927 56.4096 40.9215 174.9732 40 G 4.2869 9.5574 112.2639 45.0195 0.0000 172.2221 41 Q 4.8892 9.3623 129.1400 54.4844 31.0658 174.2550 42 I 4.9461 8.9016 128.7345 60.1508 39.4578 174.4077 43 C 5.3835 9.0754 125.6652 58.1844 30.5235 174.0141 44 V 4.8105 8.6325 123.7448 61.4108 34.1776 173.8747 *46 E 4.0876 8.4696 122.9861 57.0464 30.6511 176.8982 47 G 4.0765 8.4975 111.3360 45.3320 0.0000 172.0398 48 V 4.8225 8.5586 118.9299 61.0550 35.3469 175.9856 49 V 4.7278 8.7010 126.6824 61.3918 34.3705 174.0147 50 T 4.8730 9.1330 124.7873 62.0210 70.8053 172.5894 51 Y 4.8918 9.1025 128.3629 56.1438 41.0869 173.6848 52 Y 4.9959 8.8836 124.7220 56.2986 40.7789 175.1094 53 G 4.7849 9.2213 112.0212 43.9857 0.0000 172.0948 54 F 5.2039 8.4514 118.9656 55.0714 42.0793 175.4419 55 A 4.3765 9.0480 125.4108 55.3611 18.4384 176.6182 56 N 4.8137 7.5201 110.9547 52.2995 39.4985 174.7161 57 S 2.8778 7.9309 111.4757 59.6862 63.2218 174.6439 58 E 4.0023 7.1830 120.2566 57.7041 30.0933 176.8013 59 A 3.9838 7.7619 119.8039 53.3483 18.7126 177.0922 60 T 4.2377 8.5265 117.5840 64.2345 69.8032 175.1017 61 E 4.8226 7.9339 119.3836 53.6682 31.6631 173.8666 62 P 3.9064 0.0000 0.0000 62.5261 32.1621 175.9259 63 E 4.5296 8.4142 117.5234 56.9865 30.8832 175.7331 64 I 4.6343 7.3060 120.3118 59.6733 41.7982 172.9328 65 K 5.0098 8.6394 129.1623 54.6486 35.0729 175.2009 66 V 4.3623 8.9049 126.9883 61.0732 34.8466 173.9961 67 V 4.3628 8.4254 127.7395 61.5980 32.8106 174.7060 68 I 4.3575 8.8944 129.8813 59.9231 39.0135 175.2256 69 N 5.1817 9.0481 124.7430 51.0891 41.1987 174.7749 70 A 4.2521 7.7171 123.3988 54.3443 18.6630 178.4962 71 G 3.9997 9.6158 111.7212 44.9731 0.0000 172.5753 72 Q 4.8669 7.9474 118.0730 54.0530 32.8863 174.1389 73 F 6.0892 8.0973 113.0671 56.0034 40.9315 173.5932 74 A 4.8437 8.7025 121.3578 50.4724 22.3757 175.1252 75 T 4.9602 8.4803 111.1238 60.3961 71.4979 174.0896 76 S 4.7974 9.4111 119.2351 55.6655 64.8689 171.6965 77 P 4.4073 0.0000 0.0000 61.6381 32.5276 174.1141 78 P 4.6064 0.0000 0.0000 64.0605 31.2249 176.7519 79 Q 3.7993 8.5171 120.4349 55.8230 27.5339 173.0720 80 Y 4.3521 7.7555 120.6965 57.2462 40.1486 174.6084 81 W 4.6163 8.3686 126.8561 56.6281 30.8045 175.0047 82 H 5.5510 9.2357 119.2419 55.0925 32.2487 172.0435 83 R 5.1914 9.1513 118.2223 54.8336 33.6728 173.5219 84 I 5.2351 8.0452 118.3871 59.1997 40.7032 174.4715 85 E 4.9045 9.2088 122.9801 54.6327 33.0691 174.7918 86 L 5.3195 8.4313 122.6885 52.6555 44.7804 176.6089 87 S 4.4732 8.9706 118.0670 58.1029 64.0419 175.1083 88 D 4.4971 8.9278 120.1798 56.5987 40.6630 177.2141 89 D 4.8420 7.9249 116.3036 52.6235 40.0183 176.0551 90 A 4.5187 7.8776 122.4710 53.0052 19.7559 177.4976 91 Q 4.7659 8.8932 122.4553 55.2028 31.9046 173.5977 92 F 5.6059 9.3514 121.3710 55.9946 42.4200 172.5299 93 N 5.0739 9.2362 114.9326 51.5648 41.2904 173.2402 94 I 5.1181 8.6697 119.6221 59.6117 41.0710 174.2990 95 N 5.0103 9.0335 124.1102 51.4308 41.4149 173.7018 96 F 5.4636 8.9296 122.4101 55.9048 41.1649 174.6165 97 W 5.5335 9.4934 124.9640 55.7310 31.0767 176.0433 98 S 3.4884 9.0625 117.3496 58.8226 66.9943 174.8336 99 D 4.4569 8.1547 118.8765 55.1338 41.8318 174.4416 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 4 L 8.17 4.34 0.00 1.78 1.99 0.87 0.57 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 5 R 8.07 4.21 0.00 1.71 1.71 0.00 2.92 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.49 0.00 6 I 7.98 2.62 1.04 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.34 0.00 0.00 7 P 0.00 4.09 0.00 1.41 1.78 0.00 2.23 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.64 0.00 8 K 8.58 3.91 0.00 1.67 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.43 7.81 9 N 8.12 4.73 0.00 3.00 3.02 0.00 0.00 6.05 8.88 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 10 W 7.96 4.75 0.00 3.45 3.52 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 0.00 11 T 8.56 4.98 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 1.31 0.00 0.00 12 I 7.48 3.98 1.33 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.62 0.00 0.00 13 Q 8.73 4.08 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.60 0.00 0.00 0.00 0.00 0.00 2.56 2.28 0.00 14 R 7.41 4.71 0.00 1.89 1.99 0.00 2.83 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 15 S 8.45 5.20 0.00 3.60 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 16 T 8.57 4.42 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 1.68 0.00 0.00 17 P 0.00 4.28 0.00 1.82 1.93 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.85 0.00 18 F 8.15 4.40 0.00 2.88 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 19 F 9.08 5.30 0.00 1.88 2.59 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 0.00 0.00 0.00 0.00 20 T 8.86 5.50 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 1.28 0.00 0.00 21 K 8.96 4.19 0.00 1.95 2.07 0.00 1.61 0.00 0.00 1.88 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.52 7.81 22 D 7.81 4.59 0.00 2.73 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 23 N 8.03 5.10 0.00 2.86 2.89 0.00 0.00 6.05 7.68 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 24 V 7.60 3.43 2.32 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 0.79 0.00 0.00 0.89 0.00 0.00 25 P 0.00 4.34 0.00 1.97 1.90 0.00 2.64 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.84 0.00 26 E 9.06 3.84 0.00 1.98 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 2.41 2.40 0.00 27 A 7.97 4.03 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 28 L 8.19 4.04 0.00 1.81 1.85 0.92 1.05 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 29 L 7.58 4.17 0.00 1.83 1.76 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 T 6.96 4.64 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 1.27 0.00 0.00 31 H 8.78 4.55 0.00 3.06 3.23 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.92 5.07 0.00 3.09 3.34 0.00 5.26 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.85 5.10 0.00 2.09 1.42 0.00 0.00 6.42 7.71 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 34 T 8.25 4.47 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 35 A 8.63 4.10 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 36 V 8.47 3.68 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 0.74 0.00 0.00 0.93 0.00 0.00 37 D 7.55 4.94 0.00 2.57 2.74 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 0.00 0.00 0.00 0.00 38 V 7.91 5.07 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 1.46 0.00 0.00 0.98 0.00 0.00 39 F 9.90 5.01 0.00 3.35 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 40 G 9.56 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 0.00 0.00 0.00 0.00 41 Q 9.36 4.89 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 42 I 8.90 4.95 2.05 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 1.02 0.00 0.00 43 C 9.08 5.38 0.00 3.16 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 44 V 8.63 4.81 2.35 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 1.02 0.00 0.00 1.01 0.00 0.00 *46 E 8.47 4.09 0.00 2.13 1.80 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 2.27 2.57 0.00 47 G 8.50 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 48 V 8.56 4.82 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 1.01 0.00 0.00 0.99 0.00 0.00 49 V 8.70 4.73 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 0.64 0.00 0.00 0.65 0.00 0.00 50 T 9.13 4.87 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 0.78 0.00 0.00 51 Y 9.10 4.89 0.00 2.99 2.81 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 52 Y 8.88 5.00 0.00 2.99 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.22 4.78 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 0.00 0.00 0.00 54 F 8.45 5.20 0.00 2.85 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 55 A 9.05 4.38 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.52 4.81 0.00 2.74 2.93 0.00 0.00 6.04 7.64 0.00 0.00 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 S 7.93 2.88 0.00 2.72 2.63 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 58 E 7.18 4.00 0.00 1.85 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 2.19 2.14 0.00 59 A 7.76 3.98 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 60 T 8.53 4.24 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 1.18 0.00 0.00 61 E 7.93 4.82 0.00 1.97 1.89 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 2.25 2.35 0.00 62 P 0.00 3.91 0.00 2.15 1.36 0.00 3.76 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 1.98 1.95 0.00 63 E 8.41 4.53 0.00 2.05 2.16 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 2.39 2.39 0.00 64 I 7.31 4.63 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.73 1.16 0.00 0.00 65 K 8.64 5.01 0.00 1.78 1.61 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.64 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.15 0.91 7.81 66 V 8.90 4.36 2.01 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 0.77 0.00 0.00 0.85 0.00 0.00 67 V 8.43 4.36 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 0.87 0.00 0.00 68 I 8.89 4.36 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.56 0.92 0.00 0.00 69 N 9.05 5.18 0.00 2.82 2.72 0.00 0.00 6.45 7.31 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 70 A 7.72 4.25 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 71 G 9.62 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 72 Q 7.95 4.87 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 73 F 8.10 6.09 0.00 3.04 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 74 A 8.70 4.84 1.01 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 0.00 0.00 75 T 8.48 4.96 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 1.19 0.00 0.00 76 S 9.41 4.80 0.00 3.95 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 77 P 0.00 4.41 0.00 2.07 2.19 0.00 3.71 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 1.69 0.00 78 P 0.00 4.61 0.00 2.14 2.14 0.00 2.64 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 79 Q 8.52 3.80 0.00 2.28 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 80 Y 7.76 4.35 0.00 3.23 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 81 W 8.37 4.62 0.00 3.15 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 82 H 9.24 5.55 0.00 2.56 3.34 0.00 5.24 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.15 5.19 0.00 2.02 2.02 0.00 3.08 0.00 0.00 3.27 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 84 I 8.05 5.24 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 1.02 0.00 0.00 85 E 9.21 4.90 0.00 2.02 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 2.34 2.53 0.00 86 L 8.43 5.32 0.00 1.58 1.63 1.24 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.97 4.47 0.00 3.91 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 88 D 8.93 4.50 0.00 2.72 2.81 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 89 D 7.92 4.84 0.00 2.77 2.74 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 0.00 0.00 0.00 0.00 90 A 7.88 4.52 1.51 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 0.00 0.00 91 Q 8.89 4.77 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.62 0.00 0.00 0.00 0.00 0.00 1.81 2.07 0.00 92 F 9.35 5.61 0.00 3.45 3.24 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 93 N 9.24 5.07 0.00 2.54 2.31 0.00 0.00 7.18 7.24 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 94 I 8.67 5.12 1.73 0.00 0.00 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 1.46 1.07 0.28 0.00 0.00 95 N 9.03 5.01 0.00 2.62 2.43 0.00 0.00 6.58 7.67 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 96 F 8.93 5.46 0.00 3.11 3.03 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 97 W 9.49 5.53 0.00 3.65 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 S 9.06 3.49 0.00 3.57 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 99 D 8.15 4.46 0.00 2.62 2.48 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 0.00 * Residues marked with a * may have inaccurate shift predictions.