NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2211 8.2649 123.5223 52.3294 18.8913 175.9243 3 Y 4.2664 8.6542 118.7513 57.0177 38.9881 172.0385 4 E 4.7706 8.6332 121.2254 54.1175 34.2921 175.1026 5 L 4.1898 8.3905 123.4495 53.8540 42.5001 175.1676 6 P 4.5461 0.0000 0.0000 62.5896 32.1662 175.8424 7 E 4.2376 8.3588 119.4122 55.6620 30.5394 176.5826 8 L 3.7497 7.6181 121.6720 53.8118 42.2805 176.1495 9 P 4.4191 0.0000 0.0000 63.3476 31.2043 175.0506 10 Y 4.6544 6.0700 115.7692 55.4019 41.1875 174.2013 11 A 4.1017 8.3718 122.5782 51.9075 19.3263 178.3634 12 Y 4.3555 8.4332 117.5459 60.4632 37.9259 177.8127 13 D 4.9434 8.1259 117.2993 52.9138 39.7829 177.7064 14 A 4.0939 7.9891 123.5027 54.5132 18.6585 178.8127 15 L 4.5215 7.7108 114.5246 54.3317 42.3457 176.3580 16 E 4.5928 7.6102 118.7661 55.7709 29.8133 175.1981 17 P 4.5726 0.0000 0.0000 63.5732 32.1591 176.8753 18 H 4.5187 7.9713 116.8618 58.6256 28.7879 175.7286 19 I 4.8274 7.8261 119.0412 58.4956 40.1928 175.7684 20 D 4.7684 8.7166 125.8788 53.0865 41.3052 177.4733 21 K 4.6301 8.8271 123.0923 59.7901 32.5632 179.3654 22 E 3.9019 8.1596 119.2651 59.5191 29.4485 179.2932 23 T 3.9267 8.2293 115.5595 67.0099 68.5801 176.5550 24 M 4.3191 8.1665 120.5713 58.8348 31.9543 179.0326 25 T 2.8864 7.9944 115.7481 66.4933 68.5679 176.8992 26 I 3.6647 7.7217 121.6214 64.5296 37.1374 177.8980 27 H 4.3894 8.9718 119.5026 59.6186 29.5732 176.7433 28 H 4.5450 8.4452 120.0718 59.5527 29.7353 177.2552 29 T 4.0259 8.0325 109.4685 63.5205 69.0513 174.7693 30 K 4.3247 8.0822 119.3238 58.3225 34.0061 177.8894 31 H 3.8251 7.7939 115.3077 59.1764 29.0034 177.3609 32 H 4.4255 8.5224 119.8180 59.4639 29.8461 176.6528 33 N 4.2545 7.9615 118.9086 57.2229 38.6817 176.9035 34 T 3.8305 7.8786 116.9376 66.6769 68.4392 176.2925 35 Y 4.4703 7.4135 118.3524 61.0520 37.8997 178.8017 36 V 3.5458 7.8427 118.8494 66.2968 31.6084 178.0401 37 T 3.8904 7.8999 115.3889 67.0353 68.4914 176.4019 38 N 4.4689 8.3668 118.0014 55.8837 38.5054 177.3927 39 L 4.0192 8.0758 122.2440 58.1715 42.0368 178.7423 40 N 4.5486 8.4573 116.5716 56.2012 38.2253 177.6214 41 K 4.0134 7.8131 118.7354 59.3503 32.2174 178.9396 42 A 4.1665 7.8252 119.8186 54.6169 18.7946 178.9208 43 V 4.2487 7.5908 113.8864 61.5532 31.6017 174.7826 44 E 3.9822 7.4489 119.3072 59.4881 29.4084 176.4768 45 G 3.9780 9.2566 114.4523 45.5308 0.0000 171.9987 46 N 4.4725 7.9901 116.1213 54.3892 40.6348 174.7226 *50 A 4.0769 7.7669 120.1870 52.3705 19.0227 175.2615 51 N 4.8106 8.7078 120.2511 53.6749 39.0337 175.2365 52 K 4.5816 7.7400 117.3810 54.6842 34.1091 177.3632 53 S 4.5778 8.5669 117.6554 58.1647 65.0398 175.9964 54 V 3.5615 8.5424 122.5720 64.8709 30.9718 178.3603 55 E 3.8748 8.1078 118.7567 59.3058 29.2914 178.8102 56 E 3.9433 7.8951 118.6155 59.3456 29.3304 179.1555 57 L 3.9609 7.6207 118.9116 58.3471 42.2421 178.9762 58 V 3.6506 7.6718 116.5659 65.8205 31.4900 177.5745 59 A 4.3115 8.0294 119.8429 53.7723 19.8888 177.3209 60 D 4.9037 7.6395 116.3830 52.7693 41.3791 176.7328 61 L 4.1048 7.6568 121.1873 57.4694 42.5094 179.8228 62 D 4.4439 8.0205 117.7774 56.8105 40.8897 177.3313 63 S 4.3204 7.6906 111.8887 59.2127 63.5756 174.3146 64 V 4.0229 7.2512 121.8443 60.9141 32.3069 173.6844 65 P 4.2375 0.0000 0.0000 62.9942 31.9585 176.9168 66 E 3.9329 8.9380 122.9047 59.1388 29.6710 177.8931 67 N 4.7676 8.0965 113.8672 53.9927 37.8263 175.2616 68 I 4.6275 8.0187 110.5335 59.6682 39.8261 176.7606 69 R 3.8730 7.8470 121.5058 60.2452 29.7669 178.4801 70 T 3.8561 7.9195 114.6560 66.5436 68.4798 176.2849 71 A 4.0108 7.9661 122.1732 55.2843 18.4166 179.7474 72 V 3.5203 8.0018 116.8234 65.8447 31.4423 178.1667 73 R 3.8419 8.2676 118.8231 59.6227 30.0151 178.3744 74 N 4.3780 8.3584 116.1989 56.3751 38.6083 177.1318 75 N 4.6699 8.4692 117.7347 55.5781 38.8416 177.9504 76 G 3.5438 8.3795 107.9298 47.4816 0.0000 176.1111 77 G 3.7821 7.2867 109.5408 46.9305 0.0000 175.9306 78 G 2.7644 7.5380 108.4164 45.1658 0.0000 175.2619 79 H 4.3041 8.2468 120.4697 58.9601 30.0861 177.1659 80 A 3.8123 7.9978 122.7579 55.1576 18.1611 179.3518 81 N 3.8599 8.1771 115.2171 56.7742 38.5282 177.5244 82 H 3.8636 7.9445 117.5036 58.2186 28.4535 177.6633 83 K 4.1153 7.9099 121.0430 59.5523 32.2665 178.2782 84 L 4.1310 7.7487 120.0670 58.0771 42.0467 178.2286 85 F 4.3613 8.1739 120.7405 61.6144 38.6906 176.9408 86 W 4.8925 7.9209 118.3706 60.4270 28.7393 178.2975 87 T 4.2579 7.9082 106.9058 63.4713 68.7929 175.1168 88 L 4.3454 8.0875 121.2995 54.9673 42.3418 176.0254 89 L 4.9488 6.9692 117.8822 53.2218 44.1697 175.7162 90 S 4.2906 7.9425 112.3541 56.8652 65.5764 174.7849 91 P 4.3536 0.0000 0.0000 64.6493 31.4241 176.6044 92 N 4.9101 8.0051 115.9856 53.0147 39.1522 175.6222 93 G 3.8140 7.5643 110.1656 45.6220 0.0000 173.2527 94 G 4.1895 8.2720 108.8153 44.8824 0.0000 174.2046 95 G 3.8967 8.7049 105.7047 45.4964 0.0000 172.3544 96 E 3.5302 8.0527 121.5941 52.8211 32.8400 174.2363 97 P 3.7893 0.0000 0.0000 62.6847 31.9809 175.1767 98 T 4.5119 7.5013 108.7116 60.2943 73.1731 174.4939 99 G 3.6474 8.4851 109.4998 46.3617 0.0000 175.7953 100 A 4.0316 8.6347 120.5532 54.9572 18.3253 179.1569 101 L 3.5200 7.9634 118.1272 58.2263 42.2540 178.8735 102 A 3.7119 7.8218 120.5604 55.1349 18.2427 179.4632 103 E 3.8700 7.9772 116.6149 59.4792 29.5091 179.2374 104 E 3.9157 8.1991 119.3020 59.2410 29.6904 178.8813 105 I 3.8750 7.7294 119.8712 64.6673 37.1795 178.2399 106 N 4.5953 8.2309 117.2246 56.2065 38.0534 177.5710 107 S 4.0435 7.7802 114.0139 61.3159 62.6217 176.0516 108 V 3.5611 7.9836 120.1092 65.2456 31.4048 177.1805 109 F 4.7327 8.3806 115.3267 56.9751 39.8066 175.4759 110 G 4.2620 8.6072 107.3269 45.9742 0.0000 174.2642 111 S 5.3457 7.4296 113.0868 56.9551 66.1236 177.0243 112 F 4.2810 8.3495 123.9149 61.5666 39.1056 176.7415 113 D 3.9372 7.9973 118.0298 57.2851 40.6479 178.8602 114 K 4.1458 8.0791 118.9501 59.2003 31.9260 179.2503 115 F 3.8007 8.2073 121.0968 61.1810 39.2166 177.3958 116 K 3.0717 7.6701 118.3535 58.9878 31.5392 179.2735 117 E 3.8818 7.8254 118.9464 59.5141 29.4048 179.4305 118 Q 3.9962 7.9620 118.1163 58.7748 28.7197 178.5732 119 F 3.8648 8.1370 121.7548 61.1701 39.3840 177.1353 120 A 4.0376 8.5702 120.5623 55.0177 18.0662 179.5144 121 A 3.8928 8.0479 119.2859 55.1632 18.2188 179.7521 122 A 3.8188 7.6316 118.1399 55.1605 18.8884 179.4651 123 A 3.7698 7.7968 119.1430 55.1467 18.2034 179.7506 124 A 4.1187 8.1611 118.7073 54.5567 18.6007 179.2386 125 G 3.9952 7.9682 102.1606 44.5717 0.0000 173.8529 126 R 4.0826 7.1263 120.8716 55.4000 29.5399 175.4275 127 F 4.1910 8.6635 128.7844 58.7726 40.5396 175.9579 128 G 3.4975 7.8485 115.0336 44.7678 0.0000 172.3192 129 S 3.9036 7.9023 115.5113 56.6088 64.2450 174.4718 130 G 3.9502 6.7376 108.7749 45.9135 0.0000 171.0289 131 W 5.1032 8.2485 117.3876 54.7013 33.7227 174.3447 132 A 4.9675 8.1589 123.5624 50.0012 21.0928 175.8270 133 W 5.9670 9.4822 120.6746 54.9510 34.3474 174.0162 134 L 5.5337 9.5881 124.1575 53.8184 44.0670 175.7456 135 V 5.1497 9.4076 119.0252 59.6864 36.6577 174.8834 136 V 4.7077 8.8335 122.1073 61.6441 33.2937 173.9993 137 N 4.8874 9.5275 128.8182 51.9965 40.7442 174.1615 138 N 3.9293 9.7127 124.1562 54.4685 35.9572 175.6640 139 G 3.9995 8.7135 104.9321 45.1211 0.0000 173.9305 140 K 4.7878 7.7061 119.0807 54.2493 35.3737 175.4338 141 L 4.9650 8.5392 123.6945 54.8249 42.5940 176.2399 142 E 5.0017 9.6112 122.1957 55.0493 34.4542 174.0981 143 I 5.3406 8.7622 123.7561 60.4897 39.4357 174.9590 144 T 4.9225 9.0131 115.5787 61.1677 72.5780 172.1835 145 S 5.3879 8.5945 114.4638 57.4337 66.0898 173.4866 146 T 5.0283 9.1120 111.2810 59.3871 72.3645 171.3694 147 P 5.0187 0.0000 0.0000 62.1270 33.6835 178.7535 148 N 4.1777 8.9737 120.0880 55.2574 38.5927 175.9277 149 Q 4.9143 8.9568 124.8226 56.5905 29.2438 174.5853 150 D 4.4987 8.3469 118.3088 54.3822 41.7262 175.8964 151 S 4.4439 8.0731 116.1167 55.3620 65.2532 173.2852 152 P 4.1528 0.0000 0.0000 65.0997 30.9367 178.9411 153 L 4.4294 7.3299 119.4950 57.2252 41.2491 179.1907 154 S 4.4033 7.7110 112.9125 60.0400 62.8032 175.1502 155 E 4.5863 8.1079 120.2864 55.5265 29.8879 176.5264 156 G 3.8922 7.9026 107.3038 45.2053 0.0000 173.5149 157 K 4.6102 7.5630 118.3348 54.8474 35.2258 175.4237 158 T 4.7161 8.1175 119.8353 61.0872 70.5594 172.0459 159 P 5.0659 0.0000 0.0000 62.7067 31.9012 176.1805 160 I 4.6822 8.9268 115.0078 60.7174 39.4657 175.2102 161 L 4.7728 8.1570 124.6127 54.1877 45.4259 174.0279 162 G 4.4918 8.9243 111.7480 44.7591 0.0000 171.5006 163 L 4.4070 8.5571 124.2741 52.5169 45.0981 174.9073 164 D 3.3700 7.2368 126.4616 53.0978 41.3963 175.9496 165 V 4.5252 7.5155 119.4120 60.8436 32.9718 176.2332 166 W 3.9505 7.9906 120.8881 56.2663 29.5525 177.4827 167 E 2.9557 8.5207 121.6074 59.3531 28.5521 179.3654 168 H 4.0644 7.9301 113.5968 58.1877 28.5519 176.8946 169 A 4.1493 7.5316 122.6875 54.0326 18.4816 177.4108 170 Y 4.6911 6.8511 111.2800 56.5008 40.5924 176.3932 171 Y 3.7381 8.0530 123.2455 60.6258 39.1520 177.8314 172 L 3.9788 8.0872 118.6455 57.1779 41.8508 177.3212 173 N 4.5134 8.0136 114.4977 53.8417 40.0448 174.4922 174 Y 4.6811 8.1776 113.7028 56.6091 40.8778 176.9412 175 Q 2.0000 7.3409 119.3515 56.3228 28.4508 176.2815 176 N 4.7184 8.5794 123.5017 55.8198 38.2258 175.6758 177 R 4.3062 8.1144 121.5895 55.2255 28.9557 177.1523 178 R 3.0950 7.7353 120.9415 58.9373 30.4747 175.6122 179 P 4.1253 0.0000 0.0000 65.5596 31.3270 178.2904 180 D 4.3438 7.9151 117.4032 57.1368 40.6941 178.1919 181 Y 2.8326 7.1263 119.7035 60.2384 38.5699 177.6928 182 I 3.0795 7.2907 119.7228 64.1786 37.4472 177.9999 183 S 4.4344 8.1226 113.7574 61.4847 62.2387 176.1580 184 A 4.1925 8.0124 123.3835 54.8553 18.0835 179.1609 185 F 3.9772 7.8275 119.4917 61.3896 39.3147 177.3557 186 W 4.3182 7.2738 116.7819 59.6009 28.5901 177.7001 187 N 4.6283 8.0425 114.8819 54.7288 38.3632 175.7675 188 V 4.3827 7.2368 112.1965 60.5366 34.0420 175.7411 189 V 3.4782 7.1884 122.3526 62.8937 32.7776 174.6051 190 N 4.8823 8.7847 127.7898 52.0697 38.0202 175.3210 191 W 4.3214 8.4107 125.8885 59.0831 29.3249 177.6204 192 D 4.4204 8.1539 119.0484 57.2060 40.3369 178.0893 193 E 3.9921 8.1258 119.5155 59.1976 29.7601 178.7827 194 V 3.7985 7.8393 118.0029 66.0003 31.6011 177.8794 195 A 4.1685 8.4710 120.7831 55.1307 18.0889 179.5903 196 R 3.9032 8.1729 117.2497 59.6719 30.1909 178.8181 197 L 4.0707 8.1918 118.8355 57.8113 41.3582 178.8772 198 Y 4.2256 8.1621 119.0649 60.7991 38.8826 177.9155 199 S 4.0155 8.0414 113.9064 61.4782 63.0241 175.9660 200 E 4.1675 8.0021 123.6187 58.8621 29.3790 178.1165 201 R 4.3224 7.6683 124.6190 58.4184 29.7987 179.6756 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 2 A 8.26 4.22 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 3 Y 8.65 4.27 0.00 3.04 2.88 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 4 E 8.63 4.77 0.00 1.96 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 2.21 2.43 0.00 5 L 8.39 4.19 0.00 1.55 1.57 0.76 0.85 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 6 P 0.00 4.55 0.00 2.36 2.18 0.00 3.92 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 7 E 8.36 4.24 0.00 1.90 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 2.26 2.31 0.00 8 L 7.62 3.75 0.00 1.08 0.52 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.42 0.00 2.02 2.05 0.00 2.76 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 10 Y 6.07 4.65 0.00 2.94 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 11 A 8.37 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 12 Y 8.43 4.36 0.00 3.10 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 13 D 8.13 4.94 0.00 2.85 2.93 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 14 A 7.99 4.09 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.71 4.52 0.00 1.75 1.70 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.61 4.59 0.00 1.97 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 2.56 2.46 0.00 17 P 0.00 4.57 0.00 2.14 2.11 0.00 3.49 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 18 H 7.97 4.52 0.00 3.38 3.51 0.00 5.64 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.83 4.83 2.06 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.86 1.19 0.00 0.00 20 D 8.72 4.77 0.00 3.06 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 21 K 8.83 4.63 0.00 2.09 2.18 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.35 7.81 22 E 8.16 3.90 0.00 2.28 2.03 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 2.39 2.45 0.00 23 T 8.23 3.93 4.59 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 1.42 0.00 0.00 24 M 8.17 4.32 0.00 2.33 2.56 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 3.10 0.00 25 T 7.99 2.89 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 0.78 0.00 0.00 26 I 7.72 3.66 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.70 0.91 0.00 0.00 27 H 8.97 4.39 0.00 3.61 3.72 0.00 5.60 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 28 H 8.45 4.54 0.00 2.86 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.03 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 1.22 0.00 0.00 30 K 8.08 4.32 0.00 1.80 1.63 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.28 1.49 7.81 31 H 7.79 3.83 0.00 3.41 3.13 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 H 8.52 4.43 0.00 3.69 3.74 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.96 4.25 0.00 2.75 2.81 0.00 0.00 7.27 7.39 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 34 T 7.88 3.83 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 1.04 0.00 0.00 35 Y 7.41 4.47 0.00 3.24 3.12 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 0.00 0.00 0.00 36 V 7.84 3.55 2.22 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 1.04 0.00 0.00 0.92 0.00 0.00 37 T 7.90 3.89 4.37 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 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2.81 0.00 0.00 6.98 7.31 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 *50 A 7.77 4.08 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 51 N 8.71 4.81 0.00 2.71 2.82 0.00 0.00 7.11 7.61 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 52 K 7.74 4.58 0.00 1.81 1.77 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.43 7.81 53 S 8.57 4.58 0.00 4.30 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 54 V 8.54 3.56 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 0.81 0.00 0.00 0.74 0.00 0.00 55 E 8.11 3.87 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 56 E 7.90 3.94 0.00 2.13 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 0.00 2.34 2.34 0.00 57 L 7.62 3.96 0.00 1.69 1.84 0.96 1.04 0.00 0.00 0.00 0.00 0.00 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0.00 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 V 7.98 3.56 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 0.04 0.00 0.00 0.88 0.00 0.00 109 F 8.38 4.73 0.00 3.25 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 0.00 110 G 8.61 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 0.00 0.00 0.00 0.00 111 S 7.43 5.35 0.00 4.02 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 0.00 112 F 8.35 4.28 0.00 2.87 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 0.00 113 D 8.00 3.94 0.00 2.64 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 0.00 114 K 8.08 4.15 0.00 2.09 1.98 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 115 F 8.21 3.80 0.00 2.84 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 0.00 116 K 7.67 3.07 0.00 1.15 0.89 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 117 E 7.83 3.88 0.00 2.12 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 2.24 2.50 0.00 118 Q 7.96 4.00 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 119 F 8.14 3.86 0.00 2.58 3.10 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 0.00 120 A 8.57 4.04 1.51 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 0.00 121 A 8.05 3.89 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.63 3.82 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 0.00 123 A 7.80 3.77 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 0.00 124 A 8.16 4.12 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 0.00 125 G 7.97 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 0.00 126 R 7.13 4.08 0.00 1.80 1.95 0.00 3.43 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 127 F 8.66 4.19 0.00 2.97 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 0.00 128 G 7.85 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 0.00 0.00 0.00 129 S 7.90 3.90 0.00 2.79 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 6.74 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 0.00 0.00 0.00 131 W 8.25 5.10 0.00 3.06 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 0.00 0.00 0.00 132 A 8.16 4.97 0.49 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 0.00 133 W 9.48 5.97 0.00 3.33 3.20 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 0.00 134 L 9.59 5.53 0.00 2.32 1.90 1.42 0.96 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 0.00 135 V 9.41 5.15 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 0.73 0.00 0.00 1.04 0.00 0.00 136 V 8.83 4.71 2.17 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 1.02 0.00 0.00 1.19 0.00 0.00 137 N 9.53 4.89 0.00 2.86 2.82 0.00 0.00 6.89 7.23 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 0.00 138 N 9.71 3.93 0.00 2.93 2.91 0.00 0.00 7.31 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 0.00 139 G 8.71 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 0.00 140 K 7.71 4.79 0.00 1.89 1.71 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 141 L 8.54 4.96 0.00 1.60 1.88 0.84 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 142 E 9.61 5.00 0.00 1.99 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 0.00 2.29 2.37 0.00 143 I 8.76 5.34 2.13 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 1.86 1.08 1.03 0.00 0.00 144 T 9.01 4.92 4.37 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 1.33 0.00 0.00 145 S 8.59 5.39 0.00 3.98 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 0.00 146 T 9.11 5.03 4.45 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 1.34 0.00 0.00 147 P 0.00 5.02 0.00 2.17 2.25 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.04 0.00 148 N 8.97 4.18 0.00 3.05 2.15 0.00 0.00 7.06 7.33 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 0.00 149 Q 8.96 4.91 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.08 0.00 0.00 0.00 0.00 0.00 2.53 1.94 0.00 150 D 8.35 4.50 0.00 2.89 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 0.00 151 S 8.07 4.44 0.00 3.66 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 0.00 152 P 0.00 4.15 0.00 1.74 1.81 0.00 2.42 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.44 0.00 153 L 7.33 4.43 0.00 1.55 1.60 0.77 0.92 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 0.00 154 S 7.71 4.40 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 0.00 155 E 8.11 4.59 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 156 G 7.90 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 0.00 157 K 7.56 4.61 0.00 1.72 1.69 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.63 1.41 7.81 158 T 8.12 4.72 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 1.22 0.00 0.00 159 P 0.00 5.07 0.00 2.13 1.55 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.48 0.00 160 I 8.93 4.68 2.05 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 1.47 0.96 1.08 0.00 0.00 161 L 8.16 4.77 0.00 1.90 1.78 0.90 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.92 4.49 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 0.00 163 L 8.56 4.41 0.00 1.05 1.18 -0.39 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 164 D 7.24 3.37 0.00 1.58 1.54 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 0.00 165 V 7.52 4.53 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 0.53 0.00 0.00 0.74 0.00 0.00 166 W 7.99 3.95 0.00 2.96 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 0.00 167 E 8.52 2.96 0.00 1.67 1.52 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 2.15 2.11 0.00 168 H 7.93 4.06 0.00 3.10 3.37 0.00 5.54 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 A 7.53 4.15 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 0.00 170 Y 6.85 4.69 0.00 2.67 1.43 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 0.00 171 Y 8.05 3.74 0.00 2.99 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 0.00 172 L 8.09 3.98 0.00 1.68 1.72 0.94 0.98 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 0.00 173 N 8.01 4.51 0.00 2.74 2.45 0.00 0.00 6.75 7.54 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 0.00 174 Y 8.18 4.68 0.00 3.25 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 0.00 175 Q 7.34 2.00 0.00 1.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.09 1.88 0.00 176 N 8.58 4.72 0.00 2.92 3.06 0.00 0.00 5.92 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 0.00 177 R 8.11 4.31 0.00 2.14 2.14 0.00 3.40 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 178 R 7.74 3.09 0.00 1.56 1.73 0.00 3.03 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.00 179 P 0.00 4.13 0.00 2.16 2.04 0.00 3.53 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 180 D 7.92 4.34 0.00 2.92 2.85 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 0.00 181 Y 7.13 2.83 0.00 1.87 2.44 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 0.00 182 I 7.29 3.08 1.86 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 1.06 0.47 0.84 0.00 0.00 183 S 8.12 4.43 0.00 3.95 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 0.00 184 A 8.01 4.19 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 185 F 7.83 3.98 0.00 2.41 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 0.00 186 W 7.27 4.32 0.00 3.51 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 0.00 187 N 8.04 4.63 0.00 2.46 2.59 0.00 0.00 6.79 7.82 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 0.00 188 V 7.24 4.38 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 0.72 0.00 0.00 0.87 0.00 0.00 189 V 7.19 3.48 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.69 0.00 0.00 -0.25 0.00 0.00 190 N 8.78 4.88 0.00 2.71 2.68 0.00 0.00 6.93 7.98 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 0.00 191 W 8.41 4.32 0.00 3.39 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 D 8.15 4.42 0.00 2.73 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 0.00 193 E 8.13 3.99 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 2.64 2.47 0.00 194 V 7.84 3.80 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 1.19 0.00 0.00 0.78 0.00 0.00 195 A 8.47 4.17 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 0.00 196 R 8.17 3.90 0.00 2.07 2.14 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 197 L 8.19 4.07 0.00 2.00 1.79 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 198 Y 8.16 4.23 0.00 3.05 3.26 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 0.00 199 S 8.04 4.02 0.00 4.04 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 0.00 200 E 8.00 4.17 0.00 2.05 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 0.00 2.34 2.49 0.00 201 R 7.67 4.32 0.00 1.93 1.68 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.