NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 N 4.7023 8.2833 119.2046 52.9889 39.2530 174.2774 8 N 4.2777 8.6097 123.3296 55.6268 38.4605 176.0608 9 K 4.0475 8.8938 126.3820 60.0910 32.3130 182.9428 10 T 4.0764 7.5755 116.5520 66.2037 68.4395 176.5334 11 L 3.9612 8.3235 122.5281 58.1370 42.0737 178.9891 12 A 4.0387 8.0181 120.0729 54.9217 18.2955 179.4669 13 A 3.9803 8.4057 119.7976 55.5410 18.4395 179.5310 14 M 4.1033 8.5182 117.1888 58.6156 32.3001 178.2682 15 K 3.9503 8.0680 119.5973 59.6409 32.3430 178.2858 16 N 4.3866 8.3049 117.3231 56.4794 38.8689 176.5104 17 F 4.2451 8.6172 121.9861 61.4156 39.5414 176.8415 18 A 4.0020 8.3571 120.3074 55.4103 18.2297 179.5235 19 E 4.1902 8.4441 117.2996 59.5556 29.5755 179.5954 20 Q 3.9971 8.3650 117.9715 59.3477 28.7855 177.8888 21 Y 3.7852 8.3571 121.7213 60.0932 38.6246 177.5727 22 A 4.0401 8.0611 123.1448 54.5144 18.3137 179.8353 23 K 3.7297 7.7918 118.9344 60.2014 31.9132 180.5865 24 R 3.8621 7.7483 119.9192 60.4350 29.3137 179.7344 25 T 4.2883 7.0064 105.8600 60.4785 69.6278 174.0106 26 D 4.1597 7.4815 120.2969 56.2641 39.0067 173.0735 27 T 4.8944 7.6690 107.3409 60.1296 72.6484 172.9659 28 Y 4.7988 9.1060 119.3421 56.0667 42.2062 175.3890 29 F 5.3844 9.0355 120.4611 57.0607 40.6588 174.8660 30 C 4.7565 8.0639 121.6090 59.9952 31.3743 174.4424 31 S 4.1623 9.0656 119.0469 60.5202 63.0380 173.7458 32 D 4.6775 7.8945 120.8780 52.4942 40.3700 176.4135 33 L 4.1432 8.3274 127.9578 56.9617 41.6116 179.2190 34 S 4.1558 8.3883 114.7965 60.8608 62.9876 176.7067 35 V 3.4753 7.7815 122.1925 66.1741 31.2449 177.9126 36 T 3.5806 7.8044 114.6747 66.6831 68.2033 176.2015 37 A 3.8585 8.1663 122.8393 55.0916 18.3617 179.8554 38 V 3.4666 7.8878 116.8583 66.0949 31.6053 178.5261 39 V 3.5685 7.6691 117.9854 65.9070 31.3553 178.1187 40 I 3.7825 8.0041 122.2684 65.0281 36.8861 178.9291 41 E 4.1192 8.5860 119.7024 60.9972 29.4657 181.3746 42 G 3.7272 8.1812 106.3158 47.5032 0.0000 175.9633 43 L 4.0001 8.0572 121.0659 57.5946 41.6614 179.4078 44 A 3.9687 7.9266 120.6552 55.0403 18.2705 179.5069 45 R 3.9624 8.0882 117.2434 60.0904 30.1562 178.3641 46 H 4.2771 8.2984 115.9210 58.8693 28.7322 177.6748 47 K 4.0913 8.4170 123.0913 58.9301 31.7450 178.7709 48 E 3.9632 8.4087 118.3564 59.4918 29.5174 178.9047 49 E 4.1204 8.4320 117.7107 58.7992 29.6990 178.4901 50 L 4.5312 8.6734 116.5214 54.2139 43.1000 177.6805 51 G 4.0440 9.1870 106.9864 45.1048 0.0000 173.5466 52 S 4.6296 7.4227 114.2877 56.2008 67.6094 172.1135 53 P 4.8811 0.0000 0.0000 61.3373 29.8314 175.8219 54 L 4.4162 7.5041 121.0277 55.6888 43.0155 175.9615 55 C 4.1122 8.8724 126.4170 59.7884 31.7597 171.7926 56 P 4.6656 0.0000 0.0000 63.6025 31.7151 174.9751 57 C 4.7331 8.0365 113.0744 55.1457 41.9545 173.1315 58 R 4.3995 7.4903 117.3148 55.1670 33.2332 174.2556 59 H 4.8774 7.8029 115.6142 54.3566 31.1382 173.9095 60 Y 4.8512 8.0934 120.5103 57.0277 41.7182 176.1779 61 E 4.2710 8.9277 117.9284 58.1240 30.5613 177.3022 62 D 4.6865 7.7158 117.4512 51.6933 42.1830 175.1152 63 K 3.7847 8.6945 128.0302 59.6035 32.3147 179.0860 64 E 3.9519 8.1128 117.9190 61.0481 29.6435 181.3140 65 A 4.2316 8.2823 121.9024 54.8873 18.3322 179.5892 66 E 3.9304 8.1213 117.2414 59.7073 29.3230 179.8284 67 V 3.8834 7.6177 120.7747 65.8481 31.5858 178.6297 68 K 4.1532 7.7350 122.6404 59.6332 31.6748 181.1477 69 N 4.5707 8.0733 117.9416 55.4670 39.3670 176.1413 70 T 3.5569 8.4570 109.2466 61.1331 68.9465 173.1056 71 F 3.7566 8.7742 125.2446 61.0793 39.4037 176.2897 72 W 5.2816 8.2408 117.4466 56.6182 29.5171 174.9330 73 N 4.9736 8.1253 118.3289 52.8533 38.8853 174.5735 74 C 4.6144 9.0968 125.3177 58.6501 32.6880 171.1104 75 P 4.2837 0.0000 0.0000 63.1026 30.9843 175.7386 76 C 4.6160 8.8209 119.0228 56.5094 31.1244 174.5654 77 V 3.1808 7.5174 118.6921 65.7473 30.7048 176.0062 78 P 4.1851 0.0000 0.0000 65.7575 31.1446 178.3491 79 M 4.2964 7.9123 116.3978 58.7322 32.1631 178.3115 80 R 4.0014 8.0877 117.3501 59.1735 30.3080 178.4598 81 E 4.2623 8.2931 117.1902 58.1641 30.0146 177.7006 82 R 4.4889 7.7532 113.6677 54.9314 31.0451 175.8239 83 K 3.9878 7.9963 116.2227 57.5387 30.1440 174.9666 84 E 4.5753 8.3916 117.6359 54.8258 31.0743 175.5551 85 C 4.8511 8.5142 124.5244 57.4432 32.2411 173.4815 86 H 4.3253 8.9911 127.5509 59.0390 29.6693 177.0856 87 C 4.3148 8.1923 114.9792 57.7825 40.3387 173.2429 88 M 3.1592 7.7940 118.0826 56.4814 29.3237 178.2328 89 L 3.8636 8.1912 121.0068 57.2257 42.5849 176.3068 90 F 5.0953 7.9465 119.3035 56.0385 40.3643 174.6925 91 L 5.0831 8.9962 124.8481 52.8137 44.5284 176.8620 92 T 4.4634 8.5227 112.5178 60.9165 69.8368 173.7611 93 P 4.2665 0.0000 0.0000 65.5368 31.5459 177.7253 94 D 4.4328 8.0055 116.4097 55.1859 40.1331 176.3821 95 N 4.3723 8.0690 119.8328 53.4439 39.4157 175.2663 96 D 4.1181 8.4932 124.8647 57.1097 41.0684 177.3126 97 F 4.6647 8.5610 115.8612 57.1187 39.2896 175.0727 98 A 4.6282 7.9505 125.4719 51.7158 19.6841 178.1896 99 G 4.1583 8.7367 116.1295 45.7453 0.0000 174.1167 100 D 4.5876 8.6939 122.9466 53.3995 42.7528 175.4057 101 A 4.5819 7.9332 121.0791 52.1043 19.8669 177.8783 102 Q 3.8115 8.6162 121.0101 55.7111 29.9734 175.7471 *103 D 4.8678 7.7324 115.2948 51.4536 43.8366 178.3755 104 I 4.7101 9.0663 120.8429 58.2615 40.7779 173.6614 105 P 4.3214 0.0000 0.0000 63.0408 31.9515 176.9484 106 M 4.0383 8.8417 121.9188 58.6762 32.0195 177.8254 107 E 3.9415 8.2607 119.1056 59.7200 29.7889 178.8741 108 T 4.0404 7.8808 115.4911 66.7274 68.5279 176.7400 109 L 4.1122 7.8370 120.4001 57.7213 41.7262 179.2022 110 E 4.0308 8.3331 118.6533 59.3280 29.1822 179.2083 111 E 4.0614 8.3504 121.3376 60.0225 29.2727 180.3267 112 V 3.7357 7.1848 117.1850 65.4677 31.7596 180.6884 113 K 4.3290 7.6714 115.9485 59.4561 31.9679 178.8403 114 A 4.1357 7.9363 120.8558 54.2050 18.3476 178.0100 115 S 4.4418 7.6870 116.3856 58.6309 63.4232 173.9271 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 7 N 8.28 4.70 0.00 2.74 2.80 0.00 0.00 7.06 5.83 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 8 N 8.61 4.28 0.00 2.85 2.88 0.00 0.00 7.14 6.01 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 9 K 8.89 4.05 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.10 7.81 10 T 7.58 4.08 4.57 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 1.20 0.00 0.00 11 L 8.32 3.96 0.00 1.72 1.82 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.02 4.04 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 13 A 8.41 3.98 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 14 M 8.52 4.10 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.77 0.00 15 K 8.07 3.95 0.00 1.93 2.03 0.00 1.72 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.48 7.81 16 N 8.30 4.39 0.00 2.92 3.05 0.00 0.00 6.88 7.81 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 17 F 8.62 4.25 0.00 3.22 3.39 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 18 A 8.36 4.00 1.48 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 0.00 0.00 19 E 8.44 4.19 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.80 0.00 20 Q 8.36 4.00 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 21 Y 8.36 3.79 0.00 2.48 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 0.00 0.00 0.00 0.00 22 A 8.06 4.04 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 23 K 7.79 3.73 0.00 1.83 1.73 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.38 7.81 24 R 7.75 3.86 0.00 1.92 1.85 0.00 3.24 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 25 T 7.01 4.29 3.90 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 0.18 0.00 0.00 26 D 7.48 4.16 0.00 2.72 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 27 T 7.67 4.89 4.55 0.00 0.00 0.00 0.00 0.00 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 28 Y 9.11 4.80 0.00 2.88 2.87 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 29 F 9.04 5.38 0.00 3.05 2.86 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 30 C 8.06 4.76 0.00 3.33 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 31 S 9.07 4.16 0.00 4.06 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 32 D 7.89 4.68 0.00 2.79 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 33 L 8.33 4.14 0.00 1.74 1.69 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.39 4.16 0.00 4.03 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 35 V 7.78 3.48 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 0.94 0.00 0.00 0.90 0.00 0.00 36 T 7.80 3.58 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 37 A 8.17 3.86 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 38 V 7.89 3.47 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.93 0.00 0.00 39 V 7.67 3.57 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 0.92 0.00 0.00 0.90 0.00 0.00 40 I 8.00 3.78 1.90 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.53 0.91 0.00 0.00 41 E 8.59 4.12 0.00 1.95 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 2.24 2.20 0.00 42 G 8.18 3.73 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 0.00 0.00 0.00 43 L 8.06 4.00 0.00 1.94 1.74 1.06 0.78 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 44 A 7.93 3.97 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 45 R 8.09 3.96 0.00 2.02 2.00 0.00 3.08 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.67 0.00 46 H 8.30 4.28 0.00 3.45 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.42 4.09 0.00 1.81 1.94 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.31 7.81 48 E 8.41 3.96 0.00 2.09 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 2.34 2.45 0.00 49 E 8.43 4.12 0.00 1.94 2.02 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 2.35 2.51 0.00 50 L 8.67 4.53 0.00 1.72 1.64 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 51 G 9.19 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 52 S 7.42 4.63 0.00 3.78 3.65 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 0.00 53 P 0.00 4.88 0.00 2.12 2.10 0.00 3.63 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.71 0.00 54 L 7.50 4.42 0.00 1.46 1.41 0.78 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 55 C 8.87 4.11 0.00 3.35 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 56 P 0.00 4.67 0.00 2.17 2.15 0.00 3.85 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.15 0.00 57 C 8.04 4.73 0.00 2.99 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 58 R 7.49 4.40 0.00 0.80 0.99 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.16 0.00 59 H 7.80 4.88 0.00 2.94 3.06 0.00 5.66 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 60 Y 8.09 4.85 0.00 2.91 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 61 E 8.93 4.27 0.00 1.98 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 1.86 0.00 62 D 7.72 4.69 0.00 2.64 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.69 3.78 0.00 1.77 1.66 0.00 1.63 0.00 0.00 2.00 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.56 7.81 64 E 8.11 3.95 0.00 1.97 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 2.31 1.95 0.00 65 A 8.28 4.23 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 66 E 8.12 3.93 0.00 1.93 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 2.54 2.26 0.00 67 V 7.62 3.88 2.02 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 0.88 0.00 0.00 0.83 0.00 0.00 68 K 7.74 4.15 0.00 1.94 1.71 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.31 7.81 69 N 8.07 4.57 0.00 2.73 3.12 0.00 0.00 7.48 8.00 0.00 0.00 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 T 8.46 3.56 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 1.30 0.00 0.00 71 F 8.77 3.76 0.00 3.04 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 72 W 8.24 5.28 0.00 3.58 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 73 N 8.13 4.97 0.00 2.78 2.71 0.00 0.00 6.64 7.52 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 74 C 9.10 4.61 0.00 3.16 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 1.90 1.21 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.29 0.00 76 C 8.82 4.62 0.00 3.07 3.39 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 77 V 7.52 3.18 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 0.80 0.00 0.00 0.44 0.00 0.00 78 P 0.00 4.19 0.00 2.31 2.19 0.00 3.15 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 79 M 7.91 4.30 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.93 0.00 80 R 8.09 4.00 0.00 1.79 1.97 0.00 3.19 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 81 E 8.29 4.26 0.00 1.95 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 2.28 2.39 0.00 82 R 7.75 4.49 0.00 1.95 2.05 0.00 3.36 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 83 K 8.00 3.99 0.00 1.94 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.38 7.81 84 E 8.39 4.58 0.00 2.16 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 2.53 0.00 85 C 8.51 4.85 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 4.33 0.00 3.21 3.40 0.00 5.97 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.19 4.31 0.00 3.00 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 88 M 7.79 3.16 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 89 L 8.19 3.86 0.00 1.35 1.37 0.45 0.41 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 90 F 7.95 5.10 0.00 3.12 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 91 L 9.00 5.08 0.00 1.84 1.69 1.14 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 92 T 8.52 4.46 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 1.27 0.00 0.00 93 P 0.00 4.27 0.00 2.07 2.09 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.44 0.00 94 D 8.01 4.43 0.00 2.77 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 95 N 8.07 4.37 0.00 2.86 2.87 0.00 0.00 7.02 8.53 0.00 0.00 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 D 8.49 4.12 0.00 1.58 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 0.00 0.00 0.00 97 F 8.56 4.66 0.00 3.15 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 98 A 7.95 4.63 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 99 G 8.74 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 0.00 0.00 0.00 0.00 100 D 8.69 4.59 0.00 2.55 2.61 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 0.00 101 A 7.93 4.58 1.47 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 0.00 0.00 102 Q 8.62 3.81 0.00 1.78 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.71 0.00 0.00 0.00 0.00 0.00 1.74 1.92 0.00 *103 D 7.73 4.87 0.00 2.62 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 0.00 0.00 0.00 0.00 104 I 9.07 4.71 1.85 0.00 0.00 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 1.28 1.36 0.92 0.00 0.00 105 P 0.00 4.32 0.00 2.23 2.00 0.00 3.70 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 2.14 2.12 0.00 106 M 8.84 4.04 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 107 E 8.26 3.94 0.00 2.08 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 2.38 2.42 0.00 108 T 7.88 4.04 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 1.19 0.00 0.00 109 L 7.84 4.11 0.00 1.68 1.69 0.92 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 0.00 110 E 8.33 4.03 0.00 2.15 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 2.58 2.50 0.00 111 E 8.35 4.06 0.00 2.21 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 2.32 2.50 0.00 112 V 7.18 3.74 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 0.78 0.00 0.00 0.93 0.00 0.00 113 K 7.67 4.33 0.00 1.90 1.89 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.59 7.81 114 A 7.94 4.14 1.39 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 0.00 115 S 7.69 4.44 0.00 3.94 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 * Residues marked with a * may have inaccurate shift predictions.