NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.2968 7.8827 121.4573 61.1813 38.4286 174.0356 17 V 4.0922 9.0039 127.1434 62.4323 32.2267 174.5925 18 G 3.8648 8.9444 114.1735 46.4680 0.0000 174.0891 19 G 4.1058 7.7997 112.9337 45.2953 0.0000 173.0055 20 Y 4.8506 7.7260 119.0438 55.8645 41.8527 174.8204 21 T 4.1216 8.6511 117.9412 64.3620 68.4006 174.9542 22 C 4.2784 8.7077 125.3024 59.8306 36.5488 175.3784 23 G 3.9623 8.8868 106.0727 44.5918 0.0000 171.9085 24 A 4.1001 8.5186 124.9420 52.5231 17.9217 176.6669 25 N 4.2275 8.8686 120.1400 55.1887 36.2030 175.9642 26 T 4.2351 7.7368 106.0559 62.3834 69.7872 175.2017 27 V 4.1758 7.1032 121.7426 60.0805 31.6022 173.5975 28 P 4.4136 0.0000 0.0000 64.6138 31.6171 178.3348 29 Y 5.1251 7.1482 114.8198 57.1274 38.7752 174.6333 30 Q 4.5428 7.3055 123.6000 56.2240 29.6465 175.4761 31 V 4.8639 9.0569 118.7874 59.6538 36.6635 174.1382 32 S 5.1218 8.5277 116.7498 56.5607 64.9551 172.7947 33 L 4.4204 8.6610 127.9412 53.8635 42.8235 175.2463 34 N 5.9472 8.8499 122.3102 50.1211 42.1334 174.8285 *37 S 4.1242 8.3730 119.1342 58.2303 64.0847 174.6315 38 G 3.9663 10.2520 108.9561 45.9435 0.0000 172.9046 39 Y 4.4996 6.6136 114.9167 56.2057 39.8293 172.5809 40 H 4.5557 8.9205 122.0887 56.4064 30.3270 174.8208 41 F 4.9885 7.7342 119.2434 56.4596 39.4791 173.5658 42 C 4.7368 6.8644 115.1446 56.4233 44.6289 173.0507 43 G 4.3432 9.3576 109.8655 45.3023 0.0000 172.4570 44 G 4.3086 8.2948 104.8386 46.1893 0.0000 172.6662 45 S 5.4617 8.8201 116.1754 56.3766 66.5309 173.4622 46 L 4.8538 9.1966 127.8280 54.7910 42.4032 177.1008 47 I 4.3604 8.5805 119.7420 61.1587 39.2858 174.6778 48 N 4.6374 7.7581 117.0760 51.8637 39.4265 175.1820 49 S 4.2544 8.6157 113.1395 60.9637 63.0104 174.9972 50 Q 4.5554 8.9691 120.1848 55.1797 31.1144 174.0852 51 W 5.5752 8.6377 116.9022 55.3477 33.7425 174.2855 52 V 4.9465 8.9420 122.6852 61.2001 34.4875 174.1399 53 V 4.8043 9.0404 127.7444 61.9142 33.5243 174.7808 54 S 4.9205 9.2324 121.0231 57.6454 66.1848 172.1718 55 A 4.7063 8.7182 120.3205 50.1791 19.8346 178.6384 56 A 3.8769 8.1277 123.8461 54.9517 18.5202 179.1033 57 H 4.5904 7.9975 109.6681 57.2066 28.8893 175.1626 58 C 4.8733 7.8484 117.6125 57.1303 40.1271 173.1366 59 Y 4.3414 7.5772 121.3652 56.7111 39.0545 175.0473 60 K 4.1713 5.7969 124.3407 56.4449 33.5172 174.7378 61 S 4.0777 7.7177 116.9468 59.0582 63.4491 174.0217 62 G 3.8852 8.4715 107.6995 46.5770 0.0000 174.0403 63 I 4.0063 6.9378 116.4453 60.9446 38.7895 175.3736 64 Q 4.6382 8.8400 127.5862 54.1373 31.1009 174.6405 65 V 4.1803 8.6229 128.2052 62.7531 33.2367 174.9475 66 R 5.0353 8.7912 126.7091 54.7024 32.4111 174.7352 67 L 4.6912 9.1348 125.0735 52.6194 44.5459 177.7460 *69 G 4.0074 8.3669 109.2110 45.4033 0.0000 172.7096 70 E 4.5665 8.0653 118.5603 55.3568 30.9624 175.3212 71 D 4.7386 8.3849 118.9689 55.2637 44.0448 174.9895 72 N 5.1108 8.2210 126.0403 51.6558 37.9949 175.5457 73 I 3.7692 8.0143 119.2552 62.2723 37.6198 177.1004 74 N 4.5982 8.1349 117.2963 53.6611 38.9308 175.1389 75 V 4.3209 7.5221 117.9796 60.6128 34.3903 174.8631 76 V 4.0484 8.4721 126.9150 62.9480 31.2227 175.3038 77 E 4.2899 9.5158 127.6766 56.3620 30.0102 177.4438 78 G 3.9862 8.5637 107.0453 45.2031 0.0000 173.9613 79 N 4.7795 7.7253 114.5997 52.9726 39.4529 174.6255 80 E 4.6763 7.7101 117.8336 56.2883 31.0891 176.4932 81 Q 4.2693 9.1684 120.1260 54.5227 32.6532 174.3880 82 F 5.4814 8.6871 123.9522 56.4014 40.2561 175.6824 83 I 4.6156 9.1398 125.2280 59.1658 40.5182 175.5538 84 S 4.5874 8.7368 123.0545 58.4559 64.0834 173.3904 85 A 4.5618 8.6066 126.6946 51.9851 18.2923 177.8920 86 S 4.4597 9.1522 117.6201 59.5995 64.3748 174.6954 87 K 4.3118 7.2166 116.4140 56.1936 35.1214 174.2533 88 S 5.0702 9.0711 119.4035 57.1570 65.2565 173.8084 89 I 4.4813 9.2809 128.0895 59.7870 38.0651 176.1789 90 V 4.3144 8.4446 120.7050 60.7415 32.8514 175.9996 91 H 3.6724 8.7209 123.8745 55.6272 30.0047 174.6174 92 P 4.2784 0.0000 0.0000 65.5867 31.0907 177.0280 93 S 4.6702 7.7188 112.6742 58.0770 63.0001 173.1638 94 Y 4.4466 7.9066 122.8902 57.8444 38.9585 174.9542 95 N 4.4193 8.7997 126.9446 51.4047 39.2380 175.3970 96 S 3.8686 7.8370 121.5304 61.0124 63.4240 175.8307 97 N 4.3285 8.1823 118.5082 56.2294 38.4246 176.5411 98 T 3.6757 7.6813 105.9014 61.9361 69.5130 175.1839 99 L 3.9794 8.1649 120.6172 55.1737 39.4791 173.7251 100 N 4.4661 7.7606 117.6247 54.7039 39.4022 174.6251 101 N 4.9207 8.7859 121.3037 54.8482 35.6805 175.1897 102 D 4.5387 7.7714 117.6467 52.9779 39.8970 174.4465 103 I 4.9184 6.9800 120.8704 59.4478 42.7487 173.3158 104 M 5.5261 9.3994 126.1938 54.3900 36.3062 173.1176 105 L 5.3464 9.4838 125.8959 53.2342 44.5976 175.3463 106 I 4.8638 9.2193 124.7607 59.3833 39.9876 174.5560 107 K 3.5100 8.3368 129.4281 54.9988 33.6580 175.6819 108 L 4.3360 8.2822 127.8681 53.9359 42.3358 177.7833 109 K 3.9898 8.7439 125.7986 59.3875 32.5272 176.7972 110 S 4.5709 7.5333 110.8446 56.1206 65.9838 173.5532 111 A 4.3726 8.3832 123.7944 52.1768 18.6425 177.3454 112 A 4.2196 8.9925 124.4092 51.6244 19.8068 177.5441 113 S 4.4218 9.0753 116.2986 57.1319 62.5793 174.1075 114 L 4.5161 8.4787 128.2990 54.7730 42.6277 176.8183 115 N 4.7940 9.1331 119.4509 52.7136 39.4289 175.0236 116 S 4.3066 8.7975 112.5920 61.3884 62.8122 175.0475 117 R 4.3560 9.1049 118.4953 56.0236 31.0431 175.7782 118 V 4.4198 7.6994 115.6659 60.9201 32.8431 173.4088 119 A 5.1716 8.5012 128.0386 50.0487 22.8669 175.4480 120 S 4.9055 8.7660 114.9143 58.1991 64.6837 172.9973 121 I 4.4015 8.6973 121.3339 58.9455 39.9809 175.1691 122 S 4.3443 8.3720 122.9614 58.1536 63.5209 173.5760 123 L 4.3687 8.3683 126.0099 53.4898 42.4665 174.9653 124 P 4.5882 0.0000 0.0000 62.7981 32.4028 176.1066 125 T 4.3314 8.1720 107.6480 61.6183 69.3787 173.5769 *127 S 4.4117 7.6473 114.9758 58.3827 64.0305 174.4002 128 C 4.3802 8.4899 119.3912 56.8125 40.7048 173.2368 129 A 4.3720 7.9498 125.0802 51.3727 19.4359 177.8043 130 S 4.1811 8.1724 115.4950 57.6043 64.3697 173.2038 *132 A 4.2708 8.2587 123.8917 53.5041 19.2988 176.6191 133 G 4.0072 8.9832 110.9674 45.5015 0.0000 174.1704 134 T 3.8646 7.8150 117.1609 63.9977 69.1890 173.7122 135 Q 4.5969 8.6609 128.2408 56.2025 30.1956 175.2778 136 C 5.2558 9.8447 122.7746 55.1966 46.5138 172.3368 137 L 5.1091 9.0566 122.2371 53.6627 43.7216 174.9240 138 I 5.1137 9.0925 127.8113 58.7799 39.8598 175.0198 139 S 4.8573 8.8094 119.6374 56.1883 66.6793 173.0276 140 G 3.7838 7.0881 108.3766 46.0157 0.0000 172.7544 141 W 4.6400 8.3577 117.1971 56.2373 29.6380 177.6123 142 G 4.1322 8.3487 109.6665 44.9416 0.0000 173.0462 143 N 4.0669 9.3823 119.4882 53.9236 39.0118 175.5378 144 T 4.8892 8.8652 115.1493 60.7727 69.5542 174.5696 145 K 4.6187 7.7289 122.2956 54.9190 34.9286 177.1827 146 S 4.2082 8.6774 116.4495 60.1148 63.3701 174.0357 147 S 4.3907 7.4330 115.9795 57.8817 64.9916 174.0708 148 G 3.8497 10.4297 116.4034 45.1634 0.0000 171.3746 149 T 4.8192 7.9346 113.1778 61.0353 70.6962 174.8328 150 S 4.4138 9.0594 123.3961 57.4188 66.3387 172.3110 151 Y 5.1544 8.5165 122.8914 55.6673 39.4781 174.1473 152 P 4.7192 0.0000 0.0000 62.3934 33.2842 175.8765 153 D 4.6238 8.7100 117.0607 56.7186 41.4701 177.5721 154 V 5.5038 7.4742 109.9569 59.5375 33.4299 175.6416 155 L 2.9834 8.4059 124.3235 55.0771 42.9971 175.9542 156 K 4.8373 8.0921 125.1485 55.0025 34.9196 174.7686 157 C 5.0606 8.1292 120.3345 55.1999 42.3241 172.7333 158 L 4.6220 7.9647 117.8000 54.5290 45.8525 173.3875 159 K 5.1572 9.2015 126.4300 55.2584 32.9562 175.7244 160 A 4.8985 8.9967 127.4989 49.3321 22.6925 173.1384 161 P 4.9096 0.0000 0.0000 61.6477 33.9072 175.2340 162 I 4.3881 8.6168 123.2034 61.5169 38.1029 175.5115 163 L 4.7250 8.8670 127.3931 53.6235 42.7744 177.2450 164 S 4.3086 8.6527 116.4702 58.4603 63.8782 175.0895 165 D 4.3800 8.8835 121.5314 57.7014 40.5924 179.2490 166 S 4.1550 8.0806 114.3141 61.6727 62.8420 176.5426 167 S 4.1646 7.8856 118.2433 60.9397 62.5346 175.7139 168 C 4.3146 8.2523 122.2226 59.6104 39.9895 175.7720 169 K 3.9311 8.3270 120.0622 59.4159 31.3305 179.6397 170 S 4.1453 8.0156 114.9066 61.3861 62.8112 176.1548 171 A 4.0236 7.6666 122.6843 53.8024 19.5702 177.3590 172 Y 4.6804 7.5261 114.4748 54.6167 38.1762 171.4352 173 P 4.4938 0.0000 0.0000 62.9100 31.8312 176.6266 174 G 3.9726 8.9494 110.4737 46.2610 0.0000 173.1997 175 Q 4.4362 8.5484 116.9807 55.4295 29.6798 175.5299 176 I 4.4095 7.7874 119.8593 59.8816 37.8166 175.5440 177 T 4.4692 8.2650 116.3202 60.1241 70.2094 175.6773 178 S 4.4423 8.5676 115.2179 60.0754 63.2224 174.2970 179 N 5.2603 7.9434 118.7166 52.4674 38.8407 173.8365 180 M 5.6371 7.9140 115.8697 54.2929 36.5871 174.4225 181 F 5.0991 8.8483 115.0089 56.0347 42.0086 172.6252 182 C 5.3778 8.9643 117.1240 56.0946 41.3038 172.5383 183 A 4.9819 8.4175 121.6127 50.2680 22.3718 175.1494 184A G 3.8933 6.8814 110.4404 45.0709 0.0000 173.3692 184 Y 4.5872 8.2520 122.2115 55.9324 40.6364 176.2221 185 L 4.3302 8.6947 125.9194 57.2715 41.9164 178.5578 186 E 4.1464 8.2951 114.4691 56.0732 30.5272 178.0023 187 G 3.7573 8.7158 109.9522 45.5747 0.0000 173.2915 188A G 4.0890 8.9897 107.3221 45.0229 0.0000 174.0136 188 K 4.7557 7.4513 117.5946 55.0360 35.2823 175.4476 189 D 4.6916 8.8768 123.6441 53.7880 45.6138 174.5353 190 S 4.9012 8.7002 116.5959 57.9350 65.4142 172.9551 191 C 4.7979 9.7280 118.8425 55.4933 44.9642 172.4261 192 Q 4.4952 8.6184 119.2009 57.5326 28.5974 177.3385 193 G 4.1080 9.1703 110.1292 46.0941 0.0000 174.3675 194 D 4.6606 8.6229 118.5024 55.5676 41.4095 176.3253 195 S 4.2789 7.8271 114.7719 59.2041 62.8003 175.7866 196 G 3.9188 8.8378 112.9088 46.1794 0.0000 173.6378 197 G 3.9446 8.1330 107.9930 45.4733 0.0000 171.4216 198 P 4.9397 0.0000 0.0000 62.7422 33.5939 175.7477 199 V 4.6754 8.0780 119.8199 61.4426 32.7551 171.9148 200 V 4.6091 8.8930 125.1702 61.4242 33.4769 173.5058 201 C 5.0382 8.9804 125.3877 55.2423 43.3679 174.6174 202 S 3.3185 9.6095 121.8492 59.7450 59.8569 173.5131 203 G 3.8815 8.3950 104.9490 45.5433 0.0000 173.6403 204 K 4.8062 7.4790 118.6527 53.2945 34.5833 175.3089 *209 L 4.2529 8.2503 123.8916 55.3287 41.8693 175.6554 210 Q 4.3484 8.6318 125.2605 57.3148 30.1579 175.7460 211 G 5.3653 8.0480 103.7970 45.9279 0.0000 172.0027 212 I 4.9750 8.2683 119.3899 58.8578 41.3288 174.7666 213 V 3.6069 8.7753 126.8690 64.4546 31.8005 174.6452 214 S 4.9716 8.8856 121.4638 57.8626 63.6806 175.0505 215 W 5.0337 7.4110 114.4394 56.1582 31.8330 172.9074 216 G 4.0435 8.4280 108.6115 46.5678 0.0000 172.9593 217 S 4.6334 8.7575 116.2035 56.8906 62.2792 172.7915 *219 G 4.1939 8.0058 118.8838 45.6518 0.0000 171.2430 220 C 4.6674 8.4080 117.2196 56.8072 43.4328 174.0073 221 A 3.8682 9.2403 126.0688 53.0693 16.5050 177.2524 221A Q 4.4969 7.3332 117.9062 56.1833 29.5767 175.8048 222 K 4.2260 8.3887 121.8061 57.8619 32.7133 176.3508 223 N 4.2719 10.3256 121.6616 54.0730 37.0233 175.4686 224 K 4.2718 7.5723 116.0729 54.2160 32.6261 173.4843 225 P 4.6493 0.0000 0.0000 61.8075 33.6327 177.6861 226 G 3.4370 8.3824 106.0502 45.5401 0.0000 172.7723 227 V 4.1289 7.4406 124.3455 60.8804 32.7528 174.1899 228 Y 4.9157 8.2251 125.1145 55.8641 41.7545 175.1916 229 T 4.3537 8.4175 119.5154 63.7140 69.9316 174.3184 230 K 4.9439 9.1002 128.1405 55.4293 31.3589 177.0963 231 V 3.9170 9.0299 126.4122 65.9837 31.3939 174.8365 232 C 4.4500 8.3918 112.5346 58.7334 39.7537 175.2799 233 N 4.1762 8.5086 118.4736 55.0657 38.0887 175.8027 234 Y 4.8574 8.1496 117.1014 57.7037 38.4654 177.4426 235 V 3.7064 7.8718 121.7323 66.3633 31.5124 178.1233 236 S 4.1616 8.0880 114.3892 61.1609 62.7284 176.2793 237 W 4.1788 8.2849 130.6447 60.4598 30.5765 177.7410 238 I 3.0453 8.3216 120.1346 64.2850 36.6220 178.4326 239 K 3.7134 7.9421 118.9844 59.5659 31.8446 179.2211 240 Q 3.8725 8.1851 119.9603 59.2734 28.6914 178.5113 241 T 3.5725 7.4579 116.2732 66.5042 68.5771 176.5058 242 I 2.2948 7.2551 121.7905 63.9219 36.7382 178.4429 243 A 3.9754 7.6263 120.5602 54.2061 18.1520 178.7610 244 S 4.6949 7.3804 110.1788 58.2326 63.6288 174.1335 245 N 4.6783 7.8344 125.5769 54.1218 39.4722 174.1438 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 16 I 7.88 4.30 1.81 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 1.39 0.89 0.95 0.00 0.00 17 V 9.00 4.09 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 0.98 0.00 0.00 1.00 0.00 0.00 18 G 8.94 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 19 G 7.80 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 20 Y 7.73 4.85 0.00 3.02 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 21 T 8.65 4.12 4.31 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 1.23 0.00 0.00 22 C 8.71 4.28 0.00 2.74 3.04 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 23 G 8.89 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 0.00 0.00 0.00 24 A 8.52 4.10 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 25 N 8.87 4.23 0.00 2.92 2.89 0.00 0.00 6.83 7.05 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 26 T 7.74 4.24 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 1.27 0.00 0.00 27 V 7.10 4.18 1.72 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 0.21 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.41 0.00 2.39 2.50 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.01 0.00 29 Y 7.15 5.13 0.00 3.19 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 30 Q 7.31 4.54 0.00 1.69 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.74 0.00 0.00 0.00 0.00 0.00 1.87 2.38 0.00 31 V 9.06 4.86 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 0.95 0.00 0.00 1.00 0.00 0.00 32 S 8.53 5.12 0.00 3.35 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 33 L 8.66 4.42 0.00 0.31 0.86 0.77 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.85 5.95 0.00 2.45 2.50 0.00 0.00 6.78 7.07 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 *37 S 8.37 4.12 0.00 3.55 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.25 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 39 Y 6.61 4.50 0.00 3.06 2.98 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 40 H 8.92 4.56 0.00 2.84 3.14 0.00 5.87 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 41 F 7.73 4.99 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 42 C 6.86 4.74 0.00 2.10 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 43 G 9.36 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 0.00 0.00 0.00 0.00 44 G 8.29 4.31 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 0.00 45 S 8.82 5.46 0.00 3.82 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 46 L 9.20 4.85 0.00 1.86 1.67 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.58 4.36 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.91 0.99 0.00 0.00 48 N 7.76 4.64 0.00 2.98 2.97 0.00 0.00 6.00 7.22 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 49 S 8.62 4.25 0.00 4.20 4.22 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 50 Q 8.97 4.56 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.91 2.17 0.00 51 W 8.64 5.58 0.00 3.36 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 52 V 8.94 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 0.90 0.00 0.00 0.96 0.00 0.00 53 V 9.04 4.80 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 1.04 0.00 0.00 1.01 0.00 0.00 54 S 9.23 4.92 0.00 3.85 3.69 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 0.00 0.00 0.00 55 A 8.72 4.71 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.13 3.88 0.40 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 57 H 8.00 4.59 0.00 3.41 3.57 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.85 4.87 0.00 3.15 3.19 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 0.00 0.00 0.00 0.00 59 Y 7.58 4.34 0.00 2.98 2.94 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 0.00 0.00 0.00 60 K 5.80 4.17 0.00 1.65 1.54 0.00 0.61 0.00 0.00 1.12 0.00 0.00 2.53 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.74 0.85 7.81 61 S 7.72 4.08 0.00 3.86 3.79 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 62 G 8.47 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 63 I 6.94 4.01 1.82 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 1.29 0.66 0.93 0.00 0.00 64 Q 8.84 4.64 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.02 0.00 0.00 0.00 0.00 0.00 2.04 2.20 0.00 65 V 8.62 4.18 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 0.86 0.00 0.00 0.87 0.00 0.00 66 R 8.79 5.04 0.00 1.52 1.68 0.00 2.58 0.00 0.00 2.38 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.24 0.00 67 L 9.13 4.69 0.00 1.65 1.63 1.03 0.62 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 *69 G 8.37 4.01 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 0.00 0.00 0.00 70 E 8.07 4.57 0.00 2.11 1.79 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 2.44 2.08 0.00 71 D 8.38 4.74 0.00 2.78 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 72 N 8.22 5.11 0.00 2.81 2.75 0.00 0.00 7.10 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 73 I 8.01 3.77 1.35 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.22 -0.37 0.00 0.00 74 N 8.13 4.60 0.00 2.92 2.89 0.00 0.00 6.64 7.04 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 75 V 7.52 4.32 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 0.77 0.00 0.00 0.94 0.00 0.00 76 V 8.47 4.05 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 0.81 0.00 0.00 0.98 0.00 0.00 77 E 9.52 4.29 0.00 1.97 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 2.30 2.44 0.00 78 G 8.56 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 79 N 7.73 4.78 0.00 2.71 2.84 0.00 0.00 7.00 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 80 E 7.71 4.68 0.00 1.55 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 2.82 2.65 0.00 81 Q 9.17 4.27 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 82 F 8.69 5.48 0.00 2.83 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 83 I 9.14 4.62 1.87 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 1.24 0.80 0.94 0.00 0.00 84 S 8.74 4.59 0.00 3.74 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 85 A 8.61 4.56 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 86 S 9.15 4.46 0.00 3.76 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 87 K 7.22 4.31 0.00 1.83 1.87 0.00 1.35 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.11 1.40 7.81 88 S 9.07 5.07 0.00 3.77 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 89 I 9.28 4.48 2.08 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 1.13 0.00 0.00 90 V 8.44 4.31 2.04 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 0.72 0.00 0.00 0.93 0.00 0.00 91 H 8.72 3.67 0.00 2.60 3.03 0.00 5.60 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.28 0.00 2.17 2.21 0.00 2.73 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 1.50 1.95 0.00 93 S 7.72 4.67 0.00 4.00 3.94 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 0.00 0.00 0.00 94 Y 7.91 4.45 0.00 2.94 2.94 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 0.00 0.00 0.00 95 N 8.80 4.42 0.00 2.57 2.57 0.00 0.00 6.56 7.19 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 96 S 7.84 3.87 0.00 3.90 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 N 8.18 4.33 0.00 2.70 2.77 0.00 0.00 7.00 7.16 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 98 T 7.68 3.68 4.01 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 1.05 0.00 0.00 99 L 8.16 3.98 0.00 1.40 1.99 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.76 4.47 0.00 2.74 2.66 0.00 0.00 7.29 7.08 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 0.00 101 N 8.79 4.92 0.00 3.11 2.80 0.00 0.00 7.22 8.06 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 0.00 102 D 7.77 4.54 0.00 3.16 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 0.00 103 I 6.98 4.92 1.47 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.10 0.00 0.00 104 M 9.40 5.53 0.00 2.21 1.86 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.66 0.00 105 L 9.48 5.35 0.00 1.70 1.92 0.11 0.63 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 0.00 106 I 9.22 4.86 1.88 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 1.16 0.87 0.90 0.00 0.00 107 K 8.34 3.51 0.00 0.79 1.00 0.00 1.36 0.00 0.00 1.37 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.73 0.21 7.81 108 L 8.28 4.34 0.00 1.51 1.55 0.98 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.74 3.99 0.00 1.92 1.81 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.42 7.81 110 S 7.53 4.57 0.00 4.07 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 0.00 111 A 8.38 4.37 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 0.00 112 A 8.99 4.22 1.23 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 0.00 113 S 9.08 4.42 0.00 3.87 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 0.00 114 L 8.48 4.52 0.00 1.70 1.67 0.95 1.07 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 0.00 115 N 9.13 4.79 0.00 2.87 2.92 0.00 0.00 6.81 6.52 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 0.00 116 S 8.80 4.31 0.00 3.90 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 0.00 117 R 9.10 4.36 0.00 1.93 2.11 0.00 3.07 0.00 0.00 3.11 7.34 0.00 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0.00 0.00 1.20 0.00 0.00 *127 S 7.65 4.41 0.00 4.00 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 0.00 128 C 8.49 4.38 0.00 2.93 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 0.00 129 A 7.95 4.37 1.03 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 0.00 0.00 130 S 8.17 4.18 0.00 3.99 3.95 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 *132 A 8.26 4.27 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 0.00 133 G 8.98 4.01 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 0.00 0.00 0.00 134 T 7.82 3.86 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 1.15 0.00 0.00 135 Q 8.66 4.60 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 136 C 9.84 5.26 0.00 2.78 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 0.00 137 L 9.06 5.11 0.00 1.74 1.57 0.99 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 138 I 9.09 5.11 1.84 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 2.12 0.93 0.00 0.00 139 S 8.81 4.86 0.00 3.48 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 0.00 140 G 7.09 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 0.00 141 W 8.36 4.64 0.00 3.14 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 0.00 142 G 8.35 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 0.00 0.00 0.00 143 N 9.38 4.07 0.00 2.56 2.76 0.00 0.00 7.15 8.18 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 0.00 144 T 8.87 4.89 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 1.28 0.00 0.00 145 K 7.73 4.62 0.00 1.88 1.88 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.36 7.81 146 S 8.68 4.21 0.00 4.04 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 0.00 147 S 7.43 4.39 0.00 3.77 3.72 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 0.00 148 G 10.43 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 149 T 7.93 4.82 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 1.20 0.00 0.00 150 S 9.06 4.41 0.00 3.82 3.84 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 0.00 151 Y 8.52 5.15 0.00 2.98 2.98 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 0.00 152 P 0.00 4.72 0.00 2.47 2.14 0.00 4.26 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 153 D 8.71 4.62 0.00 2.80 3.04 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 0.00 154 V 7.47 5.50 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 0.86 0.00 0.00 0.97 0.00 0.00 155 L 8.41 2.98 0.00 1.34 1.24 -0.78 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.09 4.84 0.00 1.68 1.51 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.49 7.81 157 C 8.13 5.06 0.00 1.43 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 0.00 158 L 7.96 4.62 0.00 1.67 1.46 1.03 1.41 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 0.00 159 K 9.20 5.16 0.00 1.79 1.97 0.00 2.18 0.00 0.00 1.99 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.66 7.81 160 A 9.00 4.90 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 0.00 161 P 0.00 4.91 0.00 2.04 2.10 0.00 3.14 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 162 I 8.62 4.39 1.94 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.77 0.87 0.00 0.00 163 L 8.87 4.73 0.00 1.54 1.61 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 164 S 8.65 4.31 0.00 4.00 4.01 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 0.00 165 D 8.88 4.38 0.00 2.80 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 0.00 166 S 8.08 4.16 0.00 4.06 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 0.00 167 S 7.89 4.16 0.00 4.03 4.17 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 0.00 0.00 0.00 0.00 168 C 8.25 4.31 0.00 3.20 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 3.93 0.00 1.88 1.90 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.78 7.81 170 S 8.02 4.15 0.00 3.97 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 0.00 171 A 7.67 4.02 1.10 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 0.00 0.00 172 Y 7.53 4.68 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 0.00 173 P 0.00 4.49 0.00 2.08 2.09 0.00 3.91 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 174 G 8.95 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 0.00 175 Q 8.55 4.44 0.00 2.52 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.52 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 176 I 7.79 4.41 1.99 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 1.87 1.09 1.01 0.00 0.00 177 T 8.27 4.47 4.29 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 1.26 0.00 0.00 178 S 8.57 4.44 0.00 4.02 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 0.00 179 N 7.94 5.26 0.00 2.87 3.16 0.00 0.00 6.99 7.99 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 0.00 180 M 7.91 5.64 0.00 1.88 2.15 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 2.69 2.66 0.00 181 F 8.85 5.10 0.00 3.11 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 0.00 182 C 8.96 5.38 0.00 2.97 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 0.00 183 A 8.42 4.98 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 184A G 6.88 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 0.00 184 Y 8.25 4.59 0.00 3.07 3.30 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 0.00 185 L 8.69 4.33 0.00 1.73 1.73 0.92 0.85 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 0.00 186 E 8.30 4.15 0.00 2.10 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 2.29 2.27 0.00 187 G 8.72 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 188A G 8.99 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 0.00 188 K 7.45 4.76 0.00 1.30 1.69 0.00 1.55 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.42 1.17 7.81 189 D 8.88 4.69 0.00 2.77 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 0.00 190 S 8.70 4.90 0.00 4.13 4.01 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 0.00 191 C 9.73 4.80 0.00 2.93 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 0.00 192 Q 8.62 4.50 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.54 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 193 G 9.17 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 0.00 194 D 8.62 4.66 0.00 2.97 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 0.00 195 S 7.83 4.28 0.00 3.98 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 0.00 196 G 8.84 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 0.00 197 G 8.13 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.94 0.00 2.36 2.40 0.00 3.66 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 2.13 2.09 0.00 199 V 8.08 4.68 2.21 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 0.85 0.00 0.00 0.45 0.00 0.00 200 V 8.89 4.61 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 0.82 0.00 0.00 0.70 0.00 0.00 201 C 8.98 5.04 0.00 2.77 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 0.00 202 S 9.61 3.32 0.00 3.96 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 0.00 203 G 8.39 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 0.00 204 K 7.48 4.81 0.00 1.84 1.63 0.00 1.83 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.39 7.81 *209 L 8.25 4.25 0.00 1.51 1.64 1.05 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 210 Q 8.63 4.35 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.38 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 211 G 8.05 5.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 I 8.27 4.97 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.73 0.97 0.00 0.00 213 V 8.78 3.61 2.39 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 1.06 0.00 0.00 1.14 0.00 0.00 214 S 8.89 4.97 0.00 4.04 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 0.00 215 W 7.41 5.03 0.00 3.41 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 0.00 216 G 8.43 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 0.00 217 S 8.76 4.63 0.00 4.29 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 *219 G 8.01 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 C 8.41 4.67 0.00 2.97 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 0.00 221 A 9.24 3.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 221A Q 7.33 4.50 0.00 2.30 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 222 K 8.39 4.23 0.00 1.72 1.71 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.65 7.81 223 N 10.33 4.27 0.00 2.88 2.80 0.00 0.00 6.77 7.49 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 0.00 224 K 7.57 4.27 0.00 1.62 1.84 0.00 1.60 0.00 0.00 1.17 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.46 7.81 225 P 0.00 4.65 0.00 2.11 2.10 0.00 3.63 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 2.09 1.99 0.00 226 G 8.38 3.44 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 0.00 0.00 0.00 0.00 227 V 7.44 4.13 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 0.33 0.00 0.00 -0.88 0.00 0.00 228 Y 8.23 4.92 0.00 1.43 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 0.00 0.00 0.00 229 T 8.42 4.35 4.29 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 1.15 0.00 0.00 230 K 9.10 4.94 0.00 2.15 1.93 0.00 2.03 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.60 7.81 231 V 9.03 3.92 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.14 0.00 0.00 232 C 8.39 4.45 0.00 3.16 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 0.00 233 N 8.51 4.18 0.00 2.65 2.37 0.00 0.00 6.73 6.96 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 0.00 234 Y 8.15 4.86 0.00 3.20 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 0.00 235 V 7.87 3.71 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 1.08 0.00 0.00 1.17 0.00 0.00 236 S 8.09 4.16 0.00 3.97 3.94 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 0.00 0.00 0.00 237 W 8.28 4.18 0.00 3.51 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 0.00 238 I 8.32 3.05 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 0.74 0.00 0.00 239 K 7.94 3.71 0.00 1.89 1.76 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.64 7.81 240 Q 8.19 3.87 0.00 2.06 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.83 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 241 T 7.46 3.57 3.47 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 0.85 0.00 0.00 242 I 7.26 2.29 1.35 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 -0.30 -0.26 0.34 0.00 0.00 243 A 7.63 3.98 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 0.00 244 S 7.38 4.69 0.00 4.00 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 0.00 245 N 7.83 4.68 0.00 3.04 3.11 0.00 0.00 6.71 7.44 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 * Residues marked with a * may have inaccurate shift predictions.