NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4920 8.1749 117.3734 63.6910 70.1102 172.9485 2 T 4.5872 9.1989 121.3209 60.0732 71.9365 171.4929 3 I 5.2347 9.2562 120.7836 59.3455 41.3711 174.6652 4 V 4.6378 8.8936 116.2562 59.9480 36.5978 174.2666 5 G 4.5579 8.5861 108.5276 44.6158 0.0000 172.3145 6 V 4.5881 9.0360 123.9905 61.0886 34.8441 174.5087 7 K 4.8145 8.8565 127.6087 55.9671 33.3413 175.9917 8 F 5.0939 8.5010 117.7784 54.5909 41.3620 175.4883 9 N 4.1842 8.9740 118.0330 55.7798 36.8338 175.0709 10 N 4.9535 8.6266 115.6158 51.7119 40.4203 174.7140 11 G 3.5050 6.1458 104.3181 45.4026 0.0000 172.4982 12 V 5.0087 7.7358 119.5920 60.4306 34.4968 174.6169 13 V 4.8055 9.1708 121.9352 60.0116 34.8214 174.3290 14 I 5.2451 8.3634 114.5561 59.4944 40.8192 173.9071 15 A 4.8516 8.7773 123.6961 51.1873 23.0913 174.6463 16 A 5.5923 8.3892 118.5026 52.0417 22.2137 176.1593 17 D 4.7611 8.5689 119.9746 52.5528 41.9695 176.0977 18 T 4.8207 8.1844 106.0919 60.5289 70.2066 172.7974 19 R 4.8501 8.4912 122.8566 55.8189 31.4453 175.1879 20 S 4.9708 9.0017 121.7230 56.7154 64.6778 172.7762 21 T 5.1822 8.4988 115.9471 60.0640 72.2864 173.5639 22 Q 4.3101 9.0382 122.9016 53.9638 30.6948 175.9238 23 G 3.7713 8.7390 117.0787 46.4136 0.0000 171.7444 24 P 4.5410 0.0000 0.0000 62.8524 32.0261 175.8361 25 I 4.1388 7.5505 121.7624 60.0359 38.1804 175.1770 26 V 4.1908 8.2504 125.0386 62.1321 31.1082 175.5726 27 A 4.0455 8.7302 131.4069 54.4899 18.6609 176.9215 28 D 4.8133 7.7929 116.9609 52.3573 42.7632 176.2615 29 K 4.2102 8.6714 125.8847 58.2321 32.9530 177.0885 30 N 5.2101 8.2269 118.1308 52.3778 38.3722 173.3217 31 C 4.5892 8.5426 116.2337 57.9076 32.5283 173.7575 32 A 4.6158 8.4393 121.2670 50.5535 19.5882 177.0091 33 K 4.1519 8.7858 121.3058 56.6738 33.2150 175.9814 34 L 4.7728 7.7702 119.5187 54.4295 41.9835 175.8631 35 H 5.0280 9.8825 122.6389 54.0019 32.0859 173.5510 36 R 3.5781 7.9081 120.6281 54.8748 30.7888 175.8958 37 I 3.9705 8.6238 127.5884 63.0190 38.0828 175.5968 38 S 4.5193 7.1997 112.1955 56.1409 65.8907 172.5525 39 P 4.3158 0.0000 0.0000 65.3301 31.1700 177.7642 40 K 4.7436 7.9288 114.5686 55.8859 32.8025 175.1364 41 I 4.6676 7.8287 120.8554 59.6997 39.5768 174.7366 42 W 4.9863 9.1853 127.2229 55.1441 32.1540 174.9549 43 C 5.3789 9.8651 121.8371 57.8984 35.2290 172.5145 44 A 5.2400 8.4225 125.0300 49.0169 21.9500 175.3370 45 G 4.6244 8.8029 107.2989 44.4407 0.0000 171.4179 46 A 4.7785 9.4617 122.0832 50.6088 23.0495 175.8276 47 G 4.0421 8.7929 103.3211 44.3485 0.0000 173.9391 48 T 3.8431 8.2324 118.0138 63.8186 69.1303 174.2221 49 A 3.9962 8.7729 128.7395 55.4575 18.3372 178.8188 50 A 3.9738 8.0284 118.3737 55.3058 18.3110 179.5440 51 D 4.2285 7.9983 117.1360 57.7087 41.2048 178.7680 52 T 3.8508 7.8686 110.3367 64.8329 68.6498 175.9576 53 E 3.7368 8.2537 122.0052 58.8254 29.6167 178.7182 54 A 3.9397 8.1812 121.2194 55.1149 18.5610 180.0406 55 V 3.4944 8.0593 117.9754 65.1069 31.4032 178.8636 56 T 3.8659 7.7775 116.2094 66.5751 68.2430 176.8471 57 Q 3.9728 8.0089 120.0158 58.4105 28.7258 178.3544 58 L 3.8654 8.0620 121.6622 58.3978 42.2449 179.2205 59 I 3.8051 7.6867 119.6404 64.1202 36.9487 178.7024 60 G 3.6061 8.0151 106.7908 48.0962 0.0000 175.7321 61 S 4.0466 8.3761 115.9217 61.3582 62.3994 176.1213 62 N 4.4168 8.2512 119.0612 56.1868 38.2300 177.5865 63 I 3.7164 8.2597 121.9676 64.0073 37.1114 178.1134 64 E 3.9160 8.1654 120.2964 59.3715 29.5649 178.8176 65 L 4.0282 7.9143 119.0686 58.1417 41.6626 179.0988 66 H 4.1644 8.6227 118.5648 59.1515 29.8731 177.3337 67 S 4.2426 8.2795 115.0996 61.4333 62.0305 176.1885 68 L 4.0506 7.9227 120.7417 57.8778 41.4001 178.5494 69 Y 4.1137 7.9987 119.1758 60.0333 38.7603 176.8125 70 T 4.3795 8.2422 108.5714 60.6871 69.2411 175.1593 71 S 4.2091 7.8677 116.2011 59.6616 61.1869 172.0452 72 R 4.7708 7.2317 116.4778 53.8811 33.4539 175.6054 73 E 4.1703 8.5483 119.3713 55.7242 30.1298 175.5913 74 P 4.4544 0.0000 0.0000 62.6905 32.3514 176.0921 75 R 4.8178 8.1714 120.1890 54.3014 32.5355 177.5482 76 V 3.6225 9.1545 121.8002 66.3692 31.5096 179.0889 77 V 3.6513 7.7851 111.3163 64.1007 31.2966 178.6089 78 S 4.1015 8.0675 115.2501 61.3712 62.7218 176.3554 79 A 3.9585 7.8942 123.0535 54.8811 18.1471 179.2903 80 L 3.8756 8.1126 119.0405 58.3972 42.2098 179.0744 81 Q 3.9492 8.1665 119.5138 59.4489 29.0040 178.0508 82 M 4.0929 8.2373 119.8698 58.1332 31.9241 178.7804 83 L 3.9896 8.0843 119.4263 57.6791 41.8417 179.6421 84 K 4.0257 8.1558 118.7666 60.3291 32.5908 179.1847 85 Q 4.1283 8.2014 119.2896 58.5313 28.3160 178.2573 86 H 4.2557 7.9529 118.3322 59.4010 30.2221 176.9374 87 L 4.1807 8.4121 121.2509 57.7976 41.4611 179.3533 88 F 3.9998 8.7149 120.9885 61.1737 39.1265 176.9216 89 K 3.7874 7.8506 117.6675 59.3242 31.9895 177.1195 90 Y 4.2424 7.4754 115.5480 57.0162 38.2541 175.8831 91 Q 2.9097 7.6869 118.1662 56.9118 26.1303 176.0672 *93 G 3.9764 7.7201 105.4227 45.3653 0.0000 174.8679 94 H 4.3116 8.6948 117.4276 57.8659 28.8356 175.7269 95 I 4.1679 6.8925 117.3958 59.6798 36.6337 176.9750 96 G 4.0921 8.4850 118.9198 45.9089 0.0000 170.8170 97 A 5.1275 7.4552 119.7558 50.3946 21.5039 177.4021 98 Y 4.5712 8.8107 120.1903 56.2336 40.8220 175.0820 99 L 5.4015 8.6662 122.8666 52.9883 46.5763 176.1717 100 I 4.6110 8.7457 121.1221 59.7512 40.0247 174.8724 101 V 4.9232 8.5290 126.8318 59.9312 33.3282 175.0521 102 A 4.8272 9.7104 125.2210 49.6895 23.1162 175.2310 103 G 4.3048 7.6854 109.1659 45.8459 0.0000 172.3047 104 V 4.5445 7.9162 112.7252 59.5000 34.4616 176.1425 105 D 4.2755 8.3976 121.3763 53.8682 39.0496 175.0222 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 1 T 8.17 4.49 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 1.22 0.00 0.00 2 T 9.20 4.59 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 1.21 0.00 0.00 3 I 9.26 5.23 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.93 0.00 0.00 4 V 8.89 4.64 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 0.79 0.00 0.00 0.94 0.00 0.00 5 G 8.59 4.56 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 0.00 0.00 0.00 6 V 9.04 4.59 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 1.12 0.00 0.00 0.96 0.00 0.00 7 K 8.86 4.81 0.00 1.69 1.67 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.37 7.81 8 F 8.50 5.09 0.00 3.16 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 9 N 8.97 4.18 0.00 2.89 3.11 0.00 0.00 5.70 8.04 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 10 N 8.63 4.95 0.00 2.70 2.91 0.00 0.00 7.10 7.53 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 11 G 6.15 3.51 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 0.00 12 V 7.74 5.01 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 0.73 0.00 0.00 1.02 0.00 0.00 13 V 9.17 4.81 2.18 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 1.13 0.00 0.00 0.93 0.00 0.00 14 I 8.36 5.25 1.92 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.98 0.00 0.00 15 A 8.78 4.85 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 5.59 1.20 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 0.00 0.00 17 D 8.57 4.76 0.00 2.70 2.72 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 18 T 8.18 4.82 4.36 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 1.22 0.00 0.00 19 R 8.49 4.85 0.00 1.85 2.05 0.00 3.22 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 20 S 9.00 4.97 0.00 3.92 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 21 T 8.50 5.18 4.44 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 1.21 0.00 0.00 22 Q 9.04 4.31 0.00 1.97 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.77 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 23 G 8.74 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.54 0.00 2.19 2.16 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 25 I 7.55 4.14 1.99 0.00 0.00 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 1.18 0.61 0.91 0.00 0.00 26 V 8.25 4.19 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 0.82 0.00 0.00 0.93 0.00 0.00 27 A 8.73 4.05 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 28 D 7.79 4.81 0.00 2.68 2.52 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 29 K 8.67 4.21 0.00 1.79 1.85 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.43 7.81 30 N 8.23 5.21 0.00 2.70 2.69 0.00 0.00 7.16 7.11 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 31 C 8.54 4.59 0.00 3.09 3.25 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 32 A 8.44 4.62 1.29 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 33 K 8.79 4.15 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.45 7.81 34 L 7.77 4.77 0.00 1.62 1.93 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.88 5.03 0.00 2.90 3.07 0.00 5.60 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.91 3.58 0.00 0.67 1.23 0.00 3.07 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.65 0.00 37 I 8.62 3.97 1.91 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 1.26 1.26 0.85 0.00 0.00 38 S 7.20 4.52 0.00 3.92 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 39 P 0.00 4.32 0.00 2.12 2.26 0.00 3.63 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 2.06 2.15 0.00 40 K 7.93 4.74 0.00 1.70 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.46 7.81 41 I 7.83 4.67 1.85 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.98 0.00 0.00 42 W 9.19 4.99 0.00 3.33 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.87 5.38 0.00 2.86 2.72 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 44 A 8.42 5.24 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 45 G 8.80 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 9.46 4.78 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 47 G 8.79 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 48 T 8.23 3.84 4.40 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 1.26 0.00 0.00 49 A 8.77 4.00 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 50 A 8.03 3.97 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 51 D 8.00 4.23 0.00 2.96 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 52 T 7.87 3.85 4.30 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 1.35 0.00 0.00 53 E 8.25 3.74 0.00 2.07 2.18 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 2.25 2.30 0.00 54 A 8.18 3.94 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 55 V 8.06 3.49 2.18 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 0.85 0.00 0.00 0.93 0.00 0.00 56 T 7.78 3.87 4.43 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 1.14 0.00 0.00 57 Q 8.01 3.97 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.54 0.00 58 L 8.06 3.87 0.00 1.75 1.55 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.69 3.81 1.95 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.18 0.87 0.00 0.00 60 G 8.02 3.61 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 0.00 61 S 8.38 4.05 0.00 3.88 4.06 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 62 N 8.25 4.42 0.00 2.75 2.82 0.00 0.00 7.09 6.58 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 63 I 8.26 3.72 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.90 0.00 0.00 64 E 8.17 3.92 0.00 2.04 2.11 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 2.31 2.35 0.00 65 L 7.91 4.03 0.00 1.90 1.73 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.62 4.16 0.00 3.23 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.28 4.24 0.00 4.07 4.05 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 0.00 0.00 0.00 68 L 7.92 4.05 0.00 1.96 1.76 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 8.00 4.11 0.00 3.09 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 70 T 8.24 4.38 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 71 S 7.87 4.21 0.00 4.05 3.96 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 72 R 7.23 4.77 0.00 1.62 1.80 0.00 3.19 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 73 E 8.55 4.17 0.00 1.97 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 2.33 2.30 0.00 74 P 0.00 4.45 0.00 2.05 1.99 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 75 R 8.17 4.82 0.00 1.85 1.81 0.00 3.15 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 76 V 9.15 3.62 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 1.12 0.00 0.00 1.03 0.00 0.00 77 V 7.79 3.65 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 0.82 0.00 0.00 0.93 0.00 0.00 78 S 8.07 4.10 0.00 4.04 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 79 A 7.89 3.96 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 80 L 8.11 3.88 0.00 1.87 1.85 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.17 3.95 0.00 2.35 2.05 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 2.33 2.42 0.00 82 M 8.24 4.09 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 83 L 8.08 3.99 0.00 1.90 1.72 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.16 4.03 0.00 2.01 2.15 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.54 7.81 85 Q 8.20 4.13 0.00 2.18 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 86 H 7.95 4.26 0.00 3.28 3.59 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.41 4.18 0.00 1.75 1.70 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.71 4.00 0.00 3.22 3.25 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 89 K 7.85 3.79 0.00 2.02 1.89 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.99 1.33 7.81 90 Y 7.48 4.24 0.00 2.93 2.92 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 91 Q 7.69 2.91 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.46 0.00 0.00 0.00 0.00 0.00 2.03 2.27 0.00 *93 G 7.72 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 94 H 8.69 4.31 0.00 3.31 3.40 0.00 5.65 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 95 I 6.89 4.17 1.79 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.25 0.87 0.00 0.00 96 G 8.48 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 0.00 0.00 0.00 97 A 7.46 5.13 1.18 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 0.00 0.00 98 Y 8.81 4.57 0.00 3.07 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 99 L 8.67 5.40 0.00 1.50 1.66 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.75 4.61 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.95 0.00 0.00 101 V 8.53 4.92 2.11 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.71 4.83 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 0.00 103 G 7.69 4.30 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 0.00 104 V 7.92 4.54 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 0.74 0.00 0.00 0.96 0.00 0.00 105 D 8.40 4.28 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.