NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4371 8.1627 120.3636 55.6410 32.8547 178.6473 2 S 3.2288 7.4742 106.2839 58.2823 63.8923 172.5930 3 Q 3.9503 8.8816 121.9534 59.4946 29.8563 178.2578 4 S 4.0840 8.1105 115.4306 61.9967 62.8664 176.3083 5 N 4.3671 8.9715 119.5154 56.5916 38.3380 177.7664 6 R 3.9598 8.3208 119.5560 59.1610 30.1471 178.7665 7 E 3.9075 8.1234 118.9867 58.9801 29.7464 178.6079 8 L 3.7952 7.8314 120.5063 58.0049 42.1467 179.1939 9 V 3.8447 8.1929 118.5966 66.2000 31.5816 178.2917 10 V 3.0910 7.7451 117.9250 65.4842 31.1221 177.5980 11 D 4.2093 7.9503 118.0841 57.0868 41.0163 177.9654 12 F 4.0603 8.0842 120.7242 61.3417 39.4451 177.1314 13 L 4.0938 8.2119 118.6374 57.8842 41.3335 179.6480 14 S 4.4007 8.0378 115.1157 61.9113 62.8029 176.0623 15 Y 3.9173 8.2312 122.4665 60.4935 38.4635 178.2532 16 K 3.6553 8.0782 120.6473 59.3306 32.3748 178.8619 17 L 4.1829 8.4150 119.7583 57.8022 41.5646 179.3266 18 S 4.3119 8.3914 113.2875 61.6714 62.1102 175.8887 19 Q 3.8337 7.4178 120.5894 59.0166 28.7761 177.7504 20 K 4.3757 7.9256 116.1944 56.2653 32.2207 177.5513 21 G 3.7005 7.9365 107.4802 45.7944 0.0000 172.9220 22 Y 4.6732 8.1220 116.8849 55.6444 40.4481 175.3089 23 S 4.1487 8.3953 115.4936 57.6977 63.1787 173.2410 24 W 5.0390 7.1007 119.1788 56.1610 28.9755 176.4296 25 S 4.1092 7.6712 117.8866 62.3274 62.1843 176.5069 26 Q 3.8719 7.7840 116.6205 57.5699 28.8458 176.5207 27 F 5.0626 7.4010 117.3915 56.1696 41.6141 175.3293 *81 I 3.9990 7.9325 116.8680 61.8130 37.7456 174.8964 82 P 4.4459 0.0000 0.0000 62.3315 30.8223 177.9716 83 M 4.1449 7.6021 118.2260 55.7794 33.2269 178.0560 84 A 3.9796 8.7364 123.7907 55.1864 18.2733 180.1121 85 A 3.9105 7.9151 119.0016 55.2957 18.4605 179.8434 86 V 3.6154 7.7003 116.6384 66.0677 31.6542 178.1834 87 K 3.7279 7.8966 117.6979 59.5681 31.9569 178.8505 88 Q 3.7971 8.4593 119.6762 59.1410 28.9223 178.0245 89 A 4.0182 8.1603 121.8757 55.2085 18.3202 179.4192 90 L 4.0532 8.4309 119.1925 58.1700 42.1100 179.3348 91 R 3.7905 7.9971 118.0770 59.2567 29.8355 178.8546 92 E 3.9958 8.2048 117.9583 59.4671 29.4170 179.2145 93 A 4.3068 8.4391 121.1095 55.3690 18.4193 179.9818 94 G 3.9959 8.7342 104.3525 48.0507 0.0000 175.8574 95 D 4.5589 8.3898 121.2860 57.1679 40.7810 178.1322 96 E 3.9977 8.6494 120.2042 59.1785 29.2161 178.5721 97 W 4.1022 8.7566 128.3478 60.8246 30.6929 177.8067 98 E 4.1388 8.5618 116.3582 58.6260 28.8797 178.9652 99 L 4.1017 7.5094 120.1858 56.9081 42.4654 177.8456 100 R 3.4548 7.5821 116.7906 57.5905 28.5444 177.5896 101 Y 3.9002 4.0000 128.4440 59.2145 37.9692 175.9536 102 R 4.4692 8.1889 120.4124 55.6680 30.2001 177.2635 103 R 3.8641 7.9305 119.3947 60.0303 29.9687 178.2028 104 A 3.9382 7.6859 116.9219 54.0200 15.7758 177.3684 105 F 3.9763 7.9523 113.6164 59.2158 37.4643 178.3047 106 S 4.2812 8.4125 117.9639 62.0996 62.7993 175.8766 107 D 4.7863 8.0377 122.2049 55.4019 39.5477 178.4108 108 L 4.0128 8.0610 120.2002 57.9762 41.5664 179.3641 109 T 4.1192 8.5324 109.7911 64.7688 68.3438 176.3039 110 S 4.1205 7.7760 116.2596 61.3670 63.0506 176.4688 111 Q 4.0512 8.1135 120.9587 58.2020 28.4381 178.1355 112 L 4.0985 7.9925 120.9243 57.6284 43.7752 176.2154 113 H 4.0043 9.1686 116.3354 56.6261 28.2042 174.2458 114 I 3.7839 7.7228 118.7053 61.6799 38.7254 174.6024 115 T 4.7818 8.5538 116.9239 58.8425 71.7212 173.1313 116 P 4.2850 0.0000 0.0000 64.7975 31.3161 177.7230 117 G 3.9339 7.6484 105.4026 45.9454 0.0000 174.5033 118 T 3.9471 7.8692 117.4966 63.8334 69.0920 173.5282 119 A 4.8299 8.3235 128.1089 50.5501 21.4782 176.9195 120 Y 2.6264 8.6191 121.3731 60.7214 38.5794 179.0395 121 Q 3.9042 7.9981 117.6312 59.4378 28.4827 178.9398 122 S 4.0371 8.0205 117.2649 61.0419 62.8319 176.2226 123 F 4.0316 7.5211 122.8923 61.2412 39.1299 176.5794 124 E 3.6941 7.8071 119.1303 59.2615 29.1283 178.7979 125 Q 3.8972 7.5212 116.9142 58.8797 29.0563 178.7195 126 V 3.5675 7.4732 119.0969 65.9655 31.5167 178.2942 127 V 3.0155 7.3746 118.0591 65.7451 31.1989 177.4985 128 N 4.4076 8.1396 116.2402 56.3625 38.2350 176.9137 129 E 3.8780 7.8327 120.0877 59.5239 29.3236 179.3530 130 L 3.7836 7.5640 117.7706 56.5857 41.6021 178.4936 131 F 4.9780 7.5713 117.0276 56.8932 39.7986 177.8433 132 R 3.8952 7.4117 119.8630 59.5380 29.9155 178.0248 133 D 4.6874 8.0255 114.6117 54.0105 41.2532 177.1535 134 G 3.7649 8.1621 107.2244 44.8441 0.0000 173.6117 135 V 3.9277 7.2073 117.5854 61.8646 32.8344 174.9079 136 N 3.3592 7.2853 120.0230 50.0620 40.7290 175.4355 137 W 4.8413 8.4902 121.5244 60.3840 29.2520 178.8272 138 G 4.0609 8.6685 104.8975 48.2966 0.0000 175.6691 139 R 3.9716 9.1792 120.4249 58.6002 30.0226 179.1729 140 I 3.9699 7.8949 119.9847 64.3064 37.0147 178.5539 141 V 3.6542 8.0907 118.9630 66.0016 31.4340 177.8212 142 A 2.5800 7.5171 120.4514 54.5357 18.0543 179.2430 143 F 3.8712 8.2176 119.2410 61.5286 39.4563 177.4307 144 F 3.3148 8.0911 117.1752 60.3348 38.6320 177.5069 145 S 4.4878 8.2638 113.1068 61.4899 62.1109 176.1044 146 F 3.2629 8.3374 123.6714 60.8978 39.0321 177.2692 147 G 3.5441 7.8247 105.4834 47.6807 0.0000 175.7432 148 G 3.7785 8.4119 107.7983 47.7088 0.0000 175.6702 149 A 4.1077 8.0135 123.2459 54.7000 18.2770 179.7261 150 L 3.7636 7.5480 117.5768 58.0356 41.6713 179.4460 151 C 3.9898 7.9112 116.5929 62.7481 28.1011 176.2950 152 V 3.1225 7.5392 119.5567 65.9600 31.1060 177.6138 153 E 3.9046 8.2343 118.9940 59.3138 29.4103 178.9159 154 S 4.0398 8.1618 115.5463 61.6533 62.9110 176.8875 155 V 3.4875 7.6461 120.8035 66.0019 30.9858 177.6809 156 D 4.5587 7.9181 117.2954 56.1171 40.6475 177.6486 157 K 4.3751 7.3908 117.3550 54.8262 33.2530 176.3008 158 E 3.8058 7.9751 117.1333 58.0809 27.7327 174.7945 159 M 4.8543 7.9479 112.9998 53.4774 33.7568 177.9431 160 Q 3.8478 8.2373 120.0541 59.2999 28.5709 179.0743 161 V 3.5325 7.7894 119.4147 65.1199 31.0517 178.3391 162 L 3.9886 8.0479 119.2007 57.2623 41.4902 179.6013 163 V 3.6693 7.4523 112.4754 64.3741 31.2468 178.6013 164 S 4.3296 7.3845 114.3385 60.9979 62.8791 176.6888 165 R 3.5658 7.4245 122.0040 59.2775 29.9494 178.2273 166 I 3.0558 7.7437 119.5955 64.1632 36.9552 178.2905 167 A 4.0305 7.9219 121.0768 54.7775 18.1138 179.6219 168 A 3.9197 7.5396 119.4883 55.1447 18.4988 179.6188 169 W 4.6094 8.1085 117.5935 60.5759 29.1225 178.6252 170 M 4.6141 8.3082 118.0643 58.5988 31.3699 178.7389 171 A 4.1728 8.2492 120.8686 55.4274 18.5528 179.7842 172 T 3.8046 8.4908 114.6538 67.0172 68.5494 176.1212 173 Y 4.1758 8.8084 123.1282 60.0874 38.7632 177.6357 174 L 3.8647 8.7268 121.5372 58.6040 42.0111 178.6930 175 N 4.3180 8.2584 115.3780 56.4076 38.5349 176.7502 176 D 4.2422 8.0050 118.6623 57.1056 41.5435 177.2685 177 H 4.4453 7.9294 115.2475 56.3554 29.8770 176.6732 178 L 4.0699 7.2691 119.8398 56.3850 42.3337 178.1324 179 E 3.9071 8.2221 118.9457 59.2219 29.3448 177.4979 180 P 4.1587 0.0000 0.0000 65.6890 31.3444 178.3827 181 W 3.9126 7.9914 126.2098 60.2596 30.7109 177.9501 182 I 3.4037 7.9104 119.8835 64.4868 36.2832 178.4933 183 Q 4.0242 8.2185 118.0709 58.7172 28.6062 177.9667 184 E 4.0289 7.5132 119.0387 57.6664 29.6318 176.8425 185 N 4.6200 6.9423 114.5357 53.0789 38.9725 174.5841 186 G 4.2044 8.8671 107.1892 45.2539 0.0000 175.6653 187 G 3.8905 8.9192 109.5031 44.7399 0.0000 174.2696 188 W 4.4902 8.4897 117.0561 59.2304 28.6721 178.4157 189 D 4.4485 8.2378 119.2462 57.7594 40.3581 178.5663 190 T 3.8021 7.9098 115.7976 66.1519 68.3471 176.6426 191 F 3.3466 7.7173 122.2656 61.0303 39.3281 176.9232 192 V 3.5334 7.9163 116.6383 66.2701 31.3798 177.3564 193 E 3.9688 8.1777 117.5771 58.8350 29.4377 177.9279 194 L 4.0966 7.3950 119.4931 55.7326 43.5600 176.1636 195 Y 4.3829 7.6163 116.7125 54.5980 37.6763 175.8217 196 G 4.1463 8.1644 111.3532 45.8383 0.0000 170.9312 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 M 8.16 4.44 0.00 2.11 1.17 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.77 0.00 2 S 7.47 3.23 0.00 4.06 3.67 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 0.00 0.00 0.00 3 Q 8.88 3.95 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 4 S 8.11 4.08 0.00 4.16 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 5 N 8.97 4.37 0.00 2.82 3.02 0.00 0.00 7.15 6.21 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 6 R 8.32 3.96 0.00 1.98 1.99 0.00 3.15 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.95 0.00 7 E 8.12 3.91 0.00 2.18 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 0.00 2.25 2.27 0.00 8 L 7.83 3.80 0.00 1.76 1.67 0.55 -0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.19 3.84 2.14 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 1.02 0.00 0.00 1.15 0.00 0.00 10 V 7.75 3.09 1.90 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 0.37 0.00 0.00 0.77 0.00 0.00 11 D 7.95 4.21 0.00 2.87 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 12 F 8.08 4.06 0.00 3.09 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 13 L 8.21 4.09 0.00 1.66 1.93 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.04 4.40 0.00 4.01 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 15 Y 8.23 3.92 0.00 2.97 3.01 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 16 K 8.08 3.66 0.00 1.85 1.75 0.00 1.36 0.00 0.00 1.25 0.00 0.00 3.52 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.51 7.81 17 L 8.41 4.18 0.00 1.96 2.07 1.16 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.39 4.31 0.00 3.50 3.80 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 19 Q 7.42 3.83 0.00 1.61 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 20 K 7.93 4.38 0.00 2.07 2.01 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.80 7.81 21 G 7.94 3.70 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 0.00 0.00 0.00 22 Y 8.12 4.67 0.00 3.09 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 23 S 8.40 4.15 0.00 3.61 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 24 W 7.10 5.04 0.00 3.64 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 25 S 7.67 4.11 0.00 3.73 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 26 Q 7.78 3.87 0.00 1.48 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.33 0.00 27 F 7.40 5.06 0.00 3.18 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 *81 I 7.93 4.00 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.68 0.98 0.00 0.00 82 P 0.00 4.45 0.00 2.29 2.16 0.00 3.74 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 1.94 2.04 0.00 83 M 7.60 4.14 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.54 0.00 84 A 8.74 3.98 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 85 A 7.92 3.91 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 86 V 7.70 3.62 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 0.71 0.00 0.00 1.09 0.00 0.00 87 K 7.90 3.73 0.00 1.90 1.88 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.50 7.81 88 Q 8.46 3.80 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 89 A 8.16 4.02 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 90 L 8.43 4.05 0.00 1.77 1.69 0.32 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.00 3.79 0.00 1.65 0.81 0.00 2.72 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.60 0.00 92 E 8.20 4.00 0.00 2.29 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 0.00 2.37 2.33 0.00 93 A 8.44 4.31 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 94 G 8.73 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 95 D 8.39 4.56 0.00 3.03 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 96 E 8.65 4.00 0.00 2.21 2.46 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 2.49 2.57 0.00 97 W 8.76 4.10 0.00 3.91 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 98 E 8.56 4.14 0.00 2.21 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 2.66 2.81 0.00 99 L 7.51 4.10 0.00 1.88 1.78 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.58 3.45 0.00 0.81 0.66 0.00 2.60 0.00 0.00 3.01 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.30 0.00 101 Y 4.00 3.90 0.00 1.87 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 0.00 102 R 8.19 4.47 0.00 1.90 1.96 0.00 3.04 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 103 R 7.93 3.86 0.00 1.75 1.92 0.00 3.25 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 104 A 7.69 3.94 1.57 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 0.00 0.00 105 F 7.95 3.98 0.00 3.58 3.33 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 0.00 106 S 8.41 4.28 0.00 3.92 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 0.00 107 D 8.04 4.79 0.00 2.98 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 0.00 108 L 8.06 4.01 0.00 2.16 1.72 0.75 0.56 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 0.00 109 T 8.53 4.12 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 1.23 0.00 0.00 110 S 7.78 4.12 0.00 4.19 4.46 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 0.00 111 Q 8.11 4.05 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 112 L 7.99 4.10 0.00 1.90 1.97 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 113 H 9.17 4.00 0.00 3.28 3.29 0.00 5.84 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.72 3.78 1.97 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.83 0.97 0.00 0.00 115 T 8.55 4.78 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 1.19 0.00 0.00 116 P 0.00 4.28 0.00 2.06 2.14 0.00 3.66 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 2.01 2.06 0.00 117 G 7.65 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 0.00 0.00 0.00 118 T 7.87 3.95 4.67 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 0.00 0.00 1.36 0.00 0.00 119 A 8.32 4.83 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 0.00 120 Y 8.62 2.63 0.00 2.79 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 0.00 121 Q 8.00 3.90 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 122 S 8.02 4.04 0.00 3.90 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 0.00 123 F 7.52 4.03 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.81 3.69 0.00 1.42 1.75 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 2.28 2.52 0.00 125 Q 7.52 3.90 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 126 V 7.47 3.57 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 0.86 0.00 0.00 0.96 0.00 0.00 127 V 7.37 3.02 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 0.48 0.00 0.00 -0.17 0.00 0.00 128 N 8.14 4.41 0.00 2.96 2.85 0.00 0.00 6.97 7.13 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 0.00 129 E 7.83 3.88 0.00 1.99 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 2.28 2.41 0.00 130 L 7.56 3.78 0.00 0.85 0.70 0.46 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.57 4.98 0.00 2.99 2.84 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 0.00 0.00 0.00 132 R 7.41 3.90 0.00 1.73 1.99 0.00 3.27 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 133 D 8.03 4.69 0.00 2.63 2.65 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 0.00 134 G 8.16 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 0.00 135 V 7.21 3.93 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 0.00 0.00 -0.26 0.00 0.00 0.27 0.00 0.00 136 N 7.29 3.36 0.00 2.90 2.61 0.00 0.00 6.03 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 0.00 137 W 8.49 4.84 0.00 3.85 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 0.00 138 G 8.67 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 0.00 0.00 0.00 139 R 9.18 3.97 0.00 1.90 1.49 0.00 3.04 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 140 I 7.89 3.97 2.30 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 1.40 0.64 1.31 0.00 0.00 141 V 8.09 3.65 2.31 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 1.18 0.00 0.00 1.08 0.00 0.00 142 A 7.52 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.22 3.87 0.00 3.16 3.32 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 0.00 144 F 8.09 3.31 0.00 2.72 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 S 8.26 4.49 0.00 4.08 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 0.00 146 F 8.34 3.26 0.00 1.75 2.65 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 0.00 147 G 7.82 3.54 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 0.00 0.00 0.00 148 G 8.41 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 0.00 0.00 0.00 149 A 8.01 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 3.76 0.00 1.72 1.58 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 151 C 7.91 3.99 0.00 3.14 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 0.00 152 V 7.54 3.12 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 1.01 0.00 0.00 0.93 0.00 0.00 153 E 8.23 3.90 0.00 2.06 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 0.00 2.29 2.35 0.00 154 S 8.16 4.04 0.00 3.95 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 0.00 155 V 7.65 3.49 1.66 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 0.91 0.00 0.00 0.78 0.00 0.00 156 D 7.92 4.56 0.00 2.82 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 0.00 157 K 7.39 4.38 0.00 1.82 1.81 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.69 7.81 158 E 7.98 3.81 0.00 2.08 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 2.25 2.39 0.00 159 M 7.95 4.85 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 160 Q 8.24 3.85 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 161 V 7.79 3.53 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 0.81 0.00 0.00 0.84 0.00 0.00 162 L 8.05 3.99 0.00 1.65 1.52 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.45 3.67 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 0.86 0.00 0.00 0.31 0.00 0.00 164 S 7.38 4.33 0.00 4.21 4.13 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 0.00 165 R 7.42 3.57 0.00 1.56 1.53 0.00 2.48 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 166 I 7.74 3.06 1.82 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 1.06 0.50 0.77 0.00 0.00 167 A 7.92 4.03 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.54 3.92 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 0.00 169 W 8.11 4.61 0.00 2.99 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 0.00 170 M 8.31 4.61 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.48 0.00 171 A 8.25 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.49 3.80 4.34 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 0.90 0.00 0.00 173 Y 8.81 4.18 0.00 3.66 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 L 8.73 3.86 0.00 2.23 1.88 1.32 0.97 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 0.00 175 N 8.26 4.32 0.00 2.86 2.88 0.00 0.00 7.13 7.65 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 0.00 176 D 8.00 4.24 0.00 2.78 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 0.00 0.00 0.00 177 H 7.93 4.45 0.00 2.13 2.76 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.27 4.07 0.00 1.61 1.44 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.22 3.91 0.00 2.10 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 2.49 2.59 0.00 180 P 0.00 4.16 0.00 2.09 2.08 0.00 3.37 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 181 W 7.99 3.91 0.00 3.20 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 0.00 182 I 7.91 3.40 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.35 0.00 0.00 183 Q 8.22 4.02 0.00 1.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.00 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 184 E 7.51 4.03 0.00 1.81 1.75 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 2.14 2.15 0.00 185 N 6.94 4.62 0.00 1.58 2.35 0.00 0.00 7.10 8.76 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 0.00 186 G 8.87 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 0.00 0.00 0.00 187 G 8.92 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 0.00 0.00 0.00 188 W 8.49 4.49 0.00 3.50 3.35 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 0.00 189 D 8.24 4.45 0.00 2.74 2.76 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 0.00 190 T 7.91 3.80 4.35 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 1.18 0.00 0.00 191 F 7.72 3.35 0.00 2.77 3.43 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 0.00 192 V 7.92 3.53 2.29 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 0.86 0.00 0.00 1.11 0.00 0.00 193 E 8.18 3.97 0.00 1.95 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 2.25 2.27 0.00 194 L 7.39 4.10 0.00 1.64 1.25 0.79 0.67 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 0.00 195 Y 7.62 4.38 0.00 2.18 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 0.00 196 G 8.16 4.15 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 * Residues marked with a * may have inaccurate shift predictions.