NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 D 4.6461 8.3493 119.5546 52.2674 41.9197 175.4932 3 P 4.4970 0.0000 0.0000 60.9219 32.8334 173.4319 4 A 4.3899 9.2783 125.5599 51.5229 20.0369 177.8304 5 L 4.9742 8.2570 122.3728 52.9177 44.6583 176.5054 6 A 4.4089 8.5747 122.8153 52.2089 20.0082 175.8732 7 D 5.6263 8.5831 118.3607 52.6948 44.2288 176.5866 8 V 4.5249 8.6444 120.8893 60.2741 35.1742 173.9061 9 C 4.7606 8.9051 122.5954 56.6214 35.4459 174.2896 10 R 3.7630 8.7298 125.1553 59.8038 29.6347 178.7444 11 T 3.9837 7.6818 105.7843 63.6063 68.7825 174.9902 12 K 4.2451 7.6070 120.3374 56.6502 32.6763 177.0937 13 L 3.8572 7.1099 118.8270 53.3948 42.3681 175.8121 14 P 4.3403 0.0000 0.0000 62.7603 33.1842 178.0092 15 S 4.1261 8.5119 115.2896 61.7101 63.0947 176.7930 16 Q 3.9706 8.0463 121.0686 58.6432 28.4933 178.3037 17 A 4.0358 7.7610 121.5222 55.0372 18.4567 179.5466 18 Q 3.8512 7.8595 116.3908 59.1477 28.8049 178.4395 19 D 4.3942 8.2658 120.0751 57.9818 40.8421 179.2906 20 T 3.9717 7.7878 115.5039 66.5709 68.4394 176.7543 21 L 3.9025 8.0859 120.7563 57.7066 41.4726 179.4733 22 A 3.9647 8.0428 120.7782 54.9300 18.3173 179.4348 23 L 3.8425 8.0011 118.8894 58.3227 42.1914 179.2345 24 I 3.9060 8.1621 120.9393 63.8522 36.7822 178.2953 25 A 4.0722 7.9090 120.6384 54.0244 18.1847 178.7222 26 K 4.2642 7.4133 114.9488 55.8373 33.5286 175.9179 27 N 4.1121 8.8191 115.5685 54.7241 36.5614 175.0444 28 G 2.8198 7.4355 106.3726 43.7130 0.0000 171.8567 29 P 4.0911 0.0000 0.0000 62.5519 32.1418 175.1321 30 Y 4.7463 8.1164 119.2738 56.1035 39.2368 175.1468 31 P 4.1872 0.0000 0.0000 64.2423 32.2754 175.7739 32 Y 4.9843 7.8042 116.9687 55.7034 39.9965 175.8093 33 N 4.1899 9.2077 122.6914 57.0197 39.2530 175.5945 34 R 4.4258 7.9769 114.1307 55.9102 30.4601 175.5595 35 D 4.4472 8.1005 120.0891 55.6968 40.9596 176.9348 36 G 3.4122 7.6623 113.1131 44.9394 0.0000 173.9636 37 V 3.9054 7.0986 113.0108 60.1056 32.4405 175.7966 38 V 3.8471 8.1114 121.6037 63.1442 31.7330 175.1611 39 F 4.7119 8.5263 129.7399 57.1811 39.6176 175.3158 40 E 3.9670 8.2361 128.4712 57.4359 29.8023 176.6505 41 N 3.9042 6.9858 115.2700 54.4993 37.1407 176.0927 42 R 3.9814 7.8084 116.9964 58.4873 29.3477 177.6653 43 E 4.1915 8.1065 115.6341 56.3121 29.8101 176.7583 44 S 3.9813 7.6551 114.0096 59.5873 61.0146 173.9245 45 R 4.1606 7.6421 120.7520 57.9286 30.2676 177.0446 46 L 4.3441 7.4228 116.6088 51.5357 43.8513 174.3680 47 P 4.3409 0.0000 0.0000 62.4953 31.7634 176.4814 48 K 4.1532 8.4266 122.7818 56.3660 32.6119 176.2392 49 K 4.4099 8.2353 124.3077 54.4323 36.2318 175.7599 50 G 3.8949 8.3460 107.5553 45.9607 0.0000 172.8788 51 N 4.2936 8.5688 118.0798 54.5130 38.9987 175.8559 52 G 3.9175 8.8226 108.3606 46.1933 0.0000 174.0835 53 Y 3.9850 7.8594 122.4341 59.6844 39.3938 174.7802 54 Y 5.8274 7.7705 116.1342 56.1073 40.7079 174.7019 55 H 5.5465 8.6675 117.5203 53.9927 33.2507 172.3360 56 E 5.2636 8.7756 118.2433 54.8054 32.9730 174.8221 57 F 5.1954 8.9515 118.4322 56.1569 43.7406 174.2306 58 T 4.4900 9.2825 119.9585 63.4850 69.2263 174.2091 59 V 4.5629 8.1295 125.4042 60.7287 33.7100 175.6339 60 V 3.6160 8.7245 127.8661 63.2910 31.9953 174.9925 61 T 4.3138 8.4359 126.1997 62.0367 69.4557 173.4558 *62 P 4.2466 0.0000 0.0000 62.4027 32.7357 173.8242 *67 R 4.2561 8.1959 117.1771 55.9486 31.3228 177.2023 68 G 3.8890 8.4088 108.3681 44.9225 0.0000 173.5364 69 T 4.4715 8.2063 106.3416 61.3424 70.5724 174.5446 70 R 4.3065 7.3938 122.5723 55.8566 31.7425 175.7890 71 R 5.1858 8.5881 120.9169 54.6596 35.2396 174.0378 72 V 5.1008 9.0342 121.7847 61.2600 34.5466 174.3988 73 V 5.0946 9.0002 127.2126 61.3809 34.1826 174.3728 74 T 5.1798 9.2917 118.1764 60.3228 71.7589 173.9460 75 G 4.2145 8.9776 110.7476 44.4448 0.0000 174.6749 76 G 3.2810 5.9035 106.2235 46.7160 0.0000 174.1929 77 Y 4.4528 8.4019 116.4861 57.7360 38.4099 176.5139 78 G 4.0366 8.1175 108.0765 44.7049 0.0000 174.2126 79 E 4.1235 8.1512 119.3260 56.7362 30.9308 175.9118 80 Q 5.0122 8.2163 120.3988 54.3987 33.0450 173.8246 81 Y 5.3741 9.2432 120.2539 56.0038 42.3775 174.0437 82 W 5.3272 9.6712 133.1177 55.7951 33.7804 174.4725 83 S 4.1321 8.4344 121.2281 55.4420 63.6978 172.7360 84 P 3.4181 0.0000 0.0000 64.8881 31.7611 176.0026 85 D 4.4161 6.9165 115.5373 53.2283 43.8360 175.4933 86 H 3.7385 8.8337 122.2285 58.5981 28.6936 176.4464 87 Y 4.5830 7.4510 114.7879 57.5731 38.4767 175.2692 88 A 4.6383 7.3022 121.6272 50.3425 21.3509 177.4608 89 T 4.0902 8.0246 114.3774 61.3159 68.1652 174.6384 90 F 4.3109 8.6081 126.7039 58.2625 40.0232 174.4576 91 Q 4.9663 9.2733 120.2841 54.0267 32.1946 174.4736 92 E 4.4769 9.4862 126.1529 56.1205 30.9103 175.4764 93 I 4.4964 8.3341 128.8390 60.8757 38.3714 174.9119 94 D 4.7783 9.2217 128.4633 52.2781 41.6082 175.3067 95 P 4.3992 0.0000 0.0000 64.6456 31.8344 177.2094 96 R 4.3294 7.8493 116.7038 56.5413 30.9057 173.9645 97 C 4.5696 7.8816 118.2791 55.3896 42.9433 173.7137 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 D 8.35 4.65 0.00 2.44 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 3 P 0.00 4.50 0.00 2.27 2.08 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 4 A 9.28 4.39 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 5 L 8.26 4.97 0.00 1.66 1.72 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.57 4.41 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 7 D 8.58 5.63 0.00 2.55 2.58 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 8 V 8.64 4.52 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 0.99 0.00 0.00 0.92 0.00 0.00 9 C 8.91 4.76 0.00 2.99 3.07 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 10 R 8.73 3.76 0.00 1.89 2.03 0.00 3.19 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 11 T 7.68 3.98 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 1.21 0.00 0.00 12 K 7.61 4.25 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.53 7.81 13 L 7.11 3.86 0.00 1.47 1.04 0.65 -0.01 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 14 P 0.00 4.34 0.00 2.07 1.96 0.00 2.80 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.18 0.00 15 S 8.51 4.13 0.00 4.02 4.09 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 16 Q 8.05 3.97 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 17 A 7.76 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.86 3.85 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 19 D 8.27 4.39 0.00 2.91 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 3.97 4.47 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 1.34 0.00 0.00 21 L 8.09 3.90 0.00 1.77 1.66 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.04 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.84 0.00 2.04 1.74 1.02 0.78 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 24 I 8.16 3.91 1.81 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 1.25 0.69 0.00 0.00 25 A 7.91 4.07 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 26 K 7.41 4.26 0.00 1.79 1.85 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.48 1.52 7.81 27 N 8.82 4.11 0.00 2.85 2.95 0.00 0.00 7.06 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 28 G 7.44 2.82 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 29 P 0.00 4.09 0.00 1.96 1.90 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.01 0.00 30 Y 8.12 4.75 0.00 3.20 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 31 P 0.00 4.19 0.00 1.21 1.85 0.00 4.00 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.65 0.00 32 Y 7.80 4.98 0.00 3.49 2.89 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 33 N 9.21 4.19 0.00 2.73 2.95 0.00 0.00 7.07 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 34 R 7.98 4.43 0.00 1.97 1.91 0.00 3.23 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 35 D 8.10 4.45 0.00 2.79 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 36 G 7.66 3.41 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 0.00 37 V 7.10 3.91 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 0.77 0.00 0.00 0.91 0.00 0.00 38 V 8.11 3.85 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 0.90 0.00 0.00 0.86 0.00 0.00 39 F 8.53 4.71 0.00 3.03 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 E 8.24 3.97 0.00 1.72 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 2.20 2.14 0.00 41 N 6.99 3.90 0.00 3.04 2.90 0.00 0.00 7.45 7.77 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 42 R 7.81 3.98 0.00 1.76 1.93 0.00 3.38 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 43 E 8.11 4.19 0.00 2.09 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 2.44 2.34 0.00 44 S 7.66 3.98 0.00 4.03 3.93 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 45 R 7.64 4.16 0.00 2.26 2.29 0.00 3.33 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 46 L 7.42 4.34 0.00 1.03 0.81 -0.79 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.34 0.00 2.11 2.03 0.00 3.54 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 48 K 8.43 4.15 0.00 1.72 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 49 K 8.24 4.41 0.00 1.22 0.81 0.00 0.61 0.00 0.00 1.23 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 0.23 7.81 50 G 8.35 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 51 N 8.57 4.29 0.00 2.74 2.79 0.00 0.00 6.96 7.66 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 52 G 8.82 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 0.00 0.00 0.00 53 Y 7.86 3.99 0.00 2.98 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 54 Y 7.77 5.83 0.00 3.45 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 55 H 8.67 5.55 0.00 3.10 2.98 0.00 5.56 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 56 E 8.78 5.26 0.00 2.02 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 0.00 2.36 2.19 0.00 57 F 8.95 5.20 0.00 2.99 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 58 T 9.28 4.49 4.65 0.00 0.00 0.00 0.00 0.00 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 59 V 8.13 4.56 2.34 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 1.02 0.00 0.00 1.21 0.00 0.00 60 V 8.72 3.62 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 0.99 0.00 0.00 1.12 0.00 0.00 61 T 8.44 4.31 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 1.23 0.00 0.00 *62 P 0.00 4.25 0.00 1.85 1.88 0.00 3.68 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.11 0.00 *67 R 8.20 4.26 0.00 1.57 1.77 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.70 0.00 68 G 8.41 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 69 T 8.21 4.47 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 1.21 0.00 0.00 70 R 7.39 4.31 0.00 2.08 2.03 0.00 3.15 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 71 R 8.59 5.19 0.00 1.56 1.76 0.00 3.31 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.61 0.00 72 V 9.03 5.10 2.28 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 1.21 0.00 0.00 1.18 0.00 0.00 73 V 9.00 5.09 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 0.87 0.00 0.00 0.40 0.00 0.00 74 T 9.29 5.18 4.33 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 1.29 0.00 0.00 75 G 8.98 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 0.00 0.00 0.00 0.00 76 G 5.90 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 0.00 0.00 0.00 77 Y 8.40 4.45 0.00 3.17 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 78 G 8.12 4.04 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 0.00 79 E 8.15 4.12 0.00 2.11 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 0.00 2.55 2.50 0.00 80 Q 8.22 5.01 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 81 Y 9.24 5.37 0.00 2.88 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 82 W 9.67 5.33 0.00 3.32 3.11 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 0.00 0.00 0.00 0.00 83 S 8.43 4.13 0.00 2.93 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 84 P 0.00 3.42 0.00 2.01 1.98 0.00 3.24 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 85 D 6.92 4.42 0.00 2.53 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 0.00 0.00 0.00 86 H 8.83 3.74 0.00 2.79 2.52 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.45 4.58 0.00 3.01 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 88 A 7.30 4.64 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.02 4.09 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 1.22 0.00 0.00 90 F 8.61 4.31 0.00 2.92 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 91 Q 9.27 4.97 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.09 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 92 E 9.49 4.48 0.00 2.22 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 0.00 2.26 2.05 0.00 93 I 8.33 4.50 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.77 0.86 0.00 0.00 94 D 9.22 4.78 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.19 2.12 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 96 R 7.85 4.33 0.00 1.80 2.00 0.00 3.09 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.54 0.00 97 C 7.88 4.57 0.00 3.03 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 * Residues marked with a * may have inaccurate shift predictions.