NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 103 G 3.8843 8.3549 109.7393 45.8784 0.0000 172.6468 104 T 3.9380 8.2261 121.3499 61.7678 69.9046 171.6229 *106 Q 4.0574 8.1367 122.4684 55.3115 30.6360 172.3810 107 P 4.7024 0.0000 0.0000 63.0969 32.1480 175.3761 108 S 4.6587 8.6483 117.2486 57.6636 66.4349 172.5071 109 F 4.9723 7.7778 115.2936 56.4514 40.1055 173.1594 110 T 4.6951 8.6940 117.8601 62.4114 70.5171 173.9714 111 S 5.1381 8.3892 118.3611 57.2560 66.7200 173.0967 112 V 4.5156 8.6799 119.8254 61.3844 34.4946 174.2070 113 T 5.0366 8.4928 123.3944 61.6193 71.3908 174.4310 114 G 3.8625 9.3399 115.9858 44.3873 0.0000 174.1843 115 K 3.7629 8.7851 120.3263 59.4114 31.9023 177.6158 116 G 3.7569 7.9514 103.9772 45.7892 0.0000 173.9657 117 G 3.9732 7.9488 108.3318 44.7433 0.0000 173.7393 118 V 3.8132 7.7649 120.8167 62.3787 32.5538 174.4424 119 K 4.9842 8.6533 129.3578 54.6855 34.2792 175.1356 120 V 4.3701 8.8997 127.3586 61.2094 33.9867 174.0002 121 I 4.6108 8.2041 128.7674 59.7578 38.9013 175.2705 122 D 4.5042 8.8253 127.0861 53.3232 40.5974 176.9205 123 G 3.8759 8.7649 117.7242 48.5338 0.0000 174.5928 124 S 4.2609 8.0127 114.0127 60.5815 63.0902 175.2374 125 S 4.3844 7.8372 114.1567 58.8671 63.3866 174.3927 126 V 3.8812 7.4688 122.6449 62.9885 31.8575 175.1930 127 K 4.6168 8.8758 127.3821 54.6013 34.9866 175.1490 128 F 5.3791 8.3167 122.6936 55.7055 40.5155 175.9123 129 G 4.1138 8.6440 109.8413 45.2524 0.0000 172.9772 130 R 4.6679 8.4040 119.8928 55.7965 31.2463 176.4151 131 F 4.5671 9.1945 127.2705 57.1955 39.6882 175.8549 132 D 4.1884 8.7319 127.9350 57.2457 40.8240 179.2121 133 G 3.1457 6.3372 105.7468 46.9502 0.0000 173.6578 134 A 3.9113 6.6529 121.9417 51.5509 19.6494 176.9190 135 E 4.3397 7.3509 115.7686 55.9049 29.8717 175.7581 136 P 4.3702 0.0000 0.0000 64.2199 31.8122 176.4161 137 H 4.3482 7.5926 116.9435 55.7955 29.1941 175.1145 138 C 4.3081 8.3838 123.0721 58.1426 30.6969 172.2157 139 V 4.3234 7.8283 126.7269 60.6210 33.7357 174.3934 140 G 4.2679 8.6556 115.7125 45.7509 0.0000 172.8913 141 L 5.1898 9.2492 125.6410 53.9576 46.3766 174.6169 142 T 4.8665 9.3267 122.2805 61.7782 72.2828 173.1696 143 D 4.7498 8.9578 127.2055 54.3128 41.6591 175.7058 144 L 3.6589 8.7038 123.8243 54.9194 44.1633 177.2470 145 V 4.6464 7.3584 118.3355 61.2066 34.5957 174.7630 146 T 4.9917 9.1263 117.0984 59.7060 72.5232 174.3773 147 E 4.2034 8.8934 117.7494 58.8795 29.3368 179.2316 148 Q 3.9949 7.7332 117.5583 58.2182 28.7518 176.7083 149 D 4.5635 8.2617 116.5848 53.9154 41.1597 177.1850 150 G 3.8762 8.2714 107.6998 45.7999 0.0000 173.3672 151 S 4.5547 7.7311 114.5776 57.0215 63.2256 175.4649 152 S 4.4418 8.6381 120.2407 58.9618 63.2294 173.0676 *154 A 4.4089 8.0841 120.9065 52.7357 20.0772 176.3160 155 A 4.8296 8.8689 122.1179 50.6610 23.3435 175.6818 156 G 3.3416 6.9747 105.4523 46.1099 0.0000 171.0003 157 F 6.3000 7.9681 118.4310 54.8471 42.9187 174.0906 *159 Q 4.4663 8.6589 119.0683 56.4349 30.1177 174.8913 160 W 5.2035 7.8502 121.4323 55.9686 31.7651 172.4715 161 D 5.0546 8.7145 119.3339 53.4220 43.1103 176.5199 162 N 4.1808 8.8418 115.9069 53.3601 37.5346 172.7383 163 A 4.7412 8.1777 120.8043 50.8943 23.6925 175.9498 164 F 5.4892 8.9066 118.4944 55.8581 42.9216 174.4641 165 F 5.2894 9.1004 116.6280 54.9051 41.4234 171.7885 166 P 5.0724 0.0000 0.0000 62.8890 32.4306 175.1953 167 W 5.4824 9.5400 131.3927 56.5554 34.8467 173.1987 168 T 4.7502 7.3724 122.1131 61.6666 70.2845 173.4907 169 L 3.8578 8.4777 127.4895 53.1936 43.0337 176.9742 170 N 4.8430 7.8585 121.7410 52.7874 38.8235 174.0014 171 Y 4.8825 6.3551 114.1649 56.1563 41.1768 173.1960 172 D 4.9091 9.0812 120.8087 54.7246 42.6705 175.2365 173 E 5.5275 9.2453 121.6858 55.0947 33.6729 173.7243 174 I 5.0401 9.3604 127.7496 60.0079 39.9831 174.8062 175 D 5.8500 8.3843 125.2058 51.5272 44.3689 173.8343 *177 V 3.9819 8.0575 118.2113 63.8803 32.0805 176.5697 178 L 4.2851 9.1026 128.3705 56.3970 42.8630 177.1102 179 E 4.4894 7.4975 116.2038 54.9550 33.9043 176.6169 180 G 3.7359 9.0576 109.9611 46.2521 0.0000 172.7340 181 E 4.8851 8.8199 121.0879 54.6273 33.0036 174.7823 182 L 4.4678 8.7563 124.8780 53.7490 44.3456 174.4276 183 H 5.1776 9.4249 124.0082 54.1367 31.3004 173.9212 184 V 4.8254 8.3026 121.8431 61.0554 34.8944 173.6467 185 R 4.8972 8.9751 128.6399 54.8834 32.5605 174.2144 186 H 4.9719 9.1646 125.7370 55.4556 33.7668 173.1153 187 E 4.0244 9.8630 125.4299 57.3503 27.0632 175.4336 188 G 4.0871 8.4378 107.4215 45.3526 0.0000 174.2159 189 E 4.3404 7.7342 118.9703 55.6056 30.5361 176.5097 190 T 5.1623 7.9270 119.2213 61.4556 70.8508 173.4906 *192 I 4.0805 7.9913 121.3805 61.5758 38.3250 175.3539 193 A 4.7338 8.7674 129.1986 50.1947 21.3000 176.3109 194 K 4.8628 8.9118 122.4114 54.8479 34.8259 176.4077 195 A 4.1937 7.8745 124.5754 54.4429 18.2688 178.2136 196 G 3.9858 9.1434 112.5044 45.1719 0.0000 173.2887 197 D 4.7245 7.6745 119.0070 53.1211 42.2222 175.3155 198 V 4.9497 7.7140 119.1796 59.8408 34.6771 174.0790 *200 F 4.9145 8.2917 122.3228 58.1480 40.2488 173.8929 201 I 4.0471 8.2166 126.9902 58.5169 39.8528 173.5037 202 P 4.6126 0.0000 0.0000 61.5661 32.5769 175.8794 203 K 3.8852 8.5919 123.6129 57.6738 32.4315 177.0685 204 G 3.8814 8.8648 114.2031 45.2087 0.0000 173.6489 205 S 4.1254 7.5921 117.0314 58.6063 63.8104 173.5386 206 S 4.9139 8.6573 121.9927 57.4413 63.5702 173.2757 207 I 4.8265 9.0668 118.3416 58.9885 41.8262 173.5089 208 E 5.0340 8.7620 122.6896 54.5305 31.6295 174.7686 209 F 4.8922 8.5703 126.3741 56.7743 41.1133 175.1851 210 G 3.7451 8.7628 107.9649 46.4218 0.0000 171.9783 211 T 4.6991 7.5454 114.1133 59.9161 70.4190 172.7850 212 P 4.7599 0.0000 0.0000 64.1979 33.9743 176.5228 213 T 4.3723 8.1824 107.3317 61.4429 70.7671 175.9432 214 S 5.0735 8.9562 112.3681 56.7655 68.0096 174.4540 215 V 4.8164 8.1015 118.6285 60.4404 35.0445 173.2144 216 R 4.7786 8.8606 122.9958 54.5731 33.3623 173.8097 217 F 5.1294 8.0451 119.4849 55.4784 41.8921 172.5356 218 L 5.2525 8.7042 122.2864 54.2029 43.9113 174.5555 219 Y 5.7260 8.5189 123.9612 54.5401 41.2608 174.6967 220 V 5.0717 9.3108 121.1441 61.2967 34.6405 173.9790 221 A 5.6058 9.6728 129.5987 50.0175 22.1431 174.9725 222 W 5.0403 9.2199 129.9990 54.7835 34.2368 173.4042 223 P 2.9997 0.0000 0.0000 61.4707 31.5574 176.1493 224 A 4.0021 7.6400 122.5296 55.2314 18.5083 177.7617 225 N 4.4322 7.9139 116.4569 53.8088 38.5420 174.7545 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 103 G 8.35 3.88 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 0.00 0.00 0.00 104 T 8.23 3.94 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 *106 Q 8.14 4.06 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.93 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 107 P 0.00 4.70 0.00 2.15 2.14 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 108 S 8.65 4.66 0.00 3.84 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 0.00 109 F 7.78 4.97 0.00 2.89 2.77 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 0.00 110 T 8.69 4.70 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 1.21 0.00 0.00 111 S 8.39 5.14 0.00 4.04 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 0.00 112 V 8.68 4.52 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 0.97 0.00 0.00 0.94 0.00 0.00 113 T 8.49 5.04 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 0.00 114 G 9.34 3.86 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 0.00 115 K 8.79 3.76 0.00 1.72 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 116 G 7.95 3.76 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 0.00 0.00 0.00 117 G 7.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.76 3.81 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 0.92 0.00 0.00 0.93 0.00 0.00 119 K 8.65 4.98 0.00 1.79 1.65 0.00 1.89 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.43 7.81 120 V 8.90 4.37 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 0.92 0.00 0.00 0.93 0.00 0.00 121 I 8.20 4.61 1.60 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.45 0.60 0.00 0.00 122 D 8.83 4.50 0.00 2.80 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.76 3.88 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 0.00 0.00 0.00 124 S 8.01 4.26 0.00 3.98 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 0.00 125 S 7.84 4.38 0.00 4.03 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 0.00 126 V 7.47 3.88 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 0.12 0.00 0.00 0.78 0.00 0.00 127 K 8.88 4.62 0.00 1.70 1.65 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.51 7.81 128 F 8.32 5.38 0.00 2.98 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 0.00 129 G 8.64 4.11 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 0.00 130 R 8.40 4.67 0.00 1.71 1.84 0.00 3.37 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 131 F 9.19 4.57 0.00 2.76 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 0.00 132 D 8.73 4.19 0.00 2.65 2.57 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 0.00 133 G 6.34 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 0.00 0.00 0.00 134 A 6.65 3.91 0.23 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 0.00 0.00 135 E 7.35 4.34 0.00 1.97 1.82 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 2.18 2.30 0.00 136 P 0.00 4.37 0.00 2.08 2.09 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 137 H 7.59 4.35 0.00 3.13 3.20 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 C 8.38 4.31 0.00 2.92 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 0.00 139 V 7.83 4.32 1.58 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 0.39 0.00 0.00 -0.01 0.00 0.00 140 G 8.66 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 0.00 0.00 0.00 0.00 141 L 9.25 5.19 0.00 1.42 1.41 0.17 0.57 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 0.00 142 T 9.33 4.87 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 1.21 0.00 0.00 143 D 8.96 4.75 0.00 2.71 2.62 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 0.00 144 L 8.70 3.66 0.00 0.99 0.89 -0.42 -0.09 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 0.00 145 V 7.36 4.65 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 1.01 0.00 0.00 0.77 0.00 0.00 146 T 9.13 4.99 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 0.00 147 E 8.89 4.20 0.00 2.26 2.27 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 2.37 1.88 0.00 148 Q 7.73 3.99 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 149 D 8.26 4.56 0.00 2.77 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 0.00 150 G 8.27 3.88 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 0.00 0.00 0.00 151 S 7.73 4.55 0.00 3.88 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 0.00 152 S 8.64 4.44 0.00 4.34 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 0.00 *154 A 8.08 4.41 1.32 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 0.00 0.00 0.00 155 A 8.87 4.83 1.02 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 0.00 0.00 156 G 6.97 3.34 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 0.00 157 F 7.97 6.30 0.00 3.01 3.05 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 *159 Q 8.66 4.47 0.00 1.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.63 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 160 W 7.85 5.20 0.00 3.34 3.14 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 0.00 161 D 8.71 5.05 0.00 2.59 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 N 8.84 4.18 0.00 2.77 2.91 0.00 0.00 6.94 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 0.00 163 A 8.18 4.74 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 0.00 164 F 8.91 5.49 0.00 2.91 3.16 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 0.00 165 F 9.10 5.29 0.00 3.08 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 0.00 166 P 0.00 5.07 0.00 2.23 2.19 0.00 4.06 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 2.17 2.09 0.00 167 W 9.54 5.48 0.00 3.72 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 0.00 168 T 7.37 4.75 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 1.03 0.00 0.00 169 L 8.48 3.86 0.00 1.32 1.02 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 170 N 7.86 4.84 0.00 2.80 2.83 0.00 0.00 6.98 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Y 6.36 4.88 0.00 3.23 3.05 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 0.00 172 D 9.08 4.91 0.00 3.05 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 0.00 173 E 9.25 5.53 0.00 2.43 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 2.59 2.66 0.00 174 I 9.36 5.04 2.06 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 1.50 1.04 1.04 0.00 0.00 175 D 8.38 5.85 0.00 2.64 2.47 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 *177 V 8.06 3.98 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 1.08 0.00 0.00 0.87 0.00 0.00 178 L 9.10 4.29 0.00 1.36 1.58 0.39 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 179 E 7.50 4.49 0.00 1.75 1.69 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 2.23 2.21 0.00 180 G 9.06 3.74 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 0.00 0.00 0.00 181 E 8.82 4.89 0.00 1.93 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 2.16 2.26 0.00 182 L 8.76 4.47 0.00 1.43 1.35 0.88 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 183 H 9.42 5.18 0.00 3.29 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 V 8.30 4.83 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 0.86 0.00 0.00 185 R 8.98 4.90 0.00 1.94 1.76 0.00 3.12 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 186 H 9.16 4.97 0.00 3.11 3.02 0.00 5.81 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 E 9.86 4.02 0.00 1.98 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 0.00 1.92 1.71 0.00 188 G 8.44 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 0.00 189 E 7.73 4.34 0.00 2.04 1.86 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 2.27 2.39 0.00 190 T 7.93 5.16 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 1.26 0.00 0.00 *192 I 7.99 4.08 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.34 0.81 0.00 0.00 193 A 8.77 4.73 1.16 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 0.00 194 K 8.91 4.86 0.00 1.72 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.36 7.81 195 A 7.87 4.19 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 0.00 196 G 9.14 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 0.00 197 D 7.67 4.72 0.00 2.78 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 0.00 198 V 7.71 4.95 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 1.27 0.00 0.00 0.96 0.00 0.00 *200 F 8.29 4.91 0.00 3.12 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 0.00 201 I 8.22 4.05 1.75 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 1.05 0.47 0.64 0.00 0.00 202 P 0.00 4.61 0.00 1.96 1.95 0.00 3.28 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.85 0.00 203 K 8.59 3.89 0.00 1.85 1.84 0.00 1.80 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.40 7.81 204 G 8.86 3.88 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 0.00 0.00 0.00 205 S 7.59 4.13 0.00 3.59 3.40 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 0.00 206 S 8.66 4.91 0.00 3.71 3.78 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 0.00 207 I 9.07 4.83 1.70 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 0.90 0.85 0.66 0.00 0.00 208 E 8.76 5.03 0.00 2.13 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 0.00 2.40 2.50 0.00 209 F 8.57 4.89 0.00 1.77 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 0.00 210 G 8.76 3.75 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 0.00 0.00 0.00 211 T 7.55 4.70 3.86 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 0.61 0.00 0.00 212 P 0.00 4.76 0.00 2.29 2.35 0.00 3.56 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 213 T 8.18 4.37 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 0.00 214 S 8.96 5.07 0.00 3.80 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 0.00 215 V 8.10 4.82 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 -0.57 0.00 0.00 0.90 0.00 0.00 216 R 8.86 4.78 0.00 1.68 1.60 0.00 3.10 0.00 0.00 3.05 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.43 0.00 217 F 8.05 5.13 0.00 3.05 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 L 8.70 5.25 0.00 2.00 1.70 1.01 0.81 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 0.00 219 Y 8.52 5.73 0.00 3.33 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 V 9.31 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 1.17 0.00 0.00 0.99 0.00 0.00 221 A 9.67 5.61 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 0.00 222 W 9.22 5.04 0.00 3.54 3.21 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 0.00 223 P 0.00 3.00 0.00 1.70 0.94 0.00 3.44 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 1.61 1.20 0.00 224 A 7.64 4.00 1.28 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 0.00 225 N 7.91 4.43 0.00 2.58 2.70 0.00 0.00 6.74 7.56 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 * Residues marked with a * may have inaccurate shift predictions.