NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 T 4.3364 8.1749 110.9395 61.0649 71.1829 173.9731 13 K 4.2548 7.6780 122.1069 54.3015 33.2589 174.2619 14 Y 4.2673 8.9964 125.9817 59.0724 40.1805 176.5100 15 A 3.4078 8.1136 127.3750 51.9906 16.5194 176.9272 16 E 3.7749 7.8003 118.1086 57.6694 29.9875 176.9811 17 G 3.9029 8.7083 112.9525 46.4992 0.0000 173.8544 18 T 4.4777 7.6725 106.7321 60.8852 69.4611 173.9663 19 Q 4.6398 7.7680 120.8495 53.5515 31.6065 173.4012 20 P 4.7207 0.0000 0.0000 61.3624 33.5810 175.1043 21 F 4.1309 8.8235 120.6920 59.5037 40.2093 173.9363 22 T 5.2056 9.2787 122.3589 61.6820 72.1639 172.9028 23 V 4.8772 9.0732 125.9435 61.0250 34.6536 174.0253 24 L 5.1490 9.0215 128.1834 53.0524 43.9917 175.8758 25 I 4.5458 9.0442 127.0643 61.1448 37.8578 175.2572 26 E 5.1942 9.6557 126.9899 54.0201 32.9625 175.7745 27 G 4.5557 8.4092 110.6420 45.7704 0.0000 171.7283 28 N 4.6662 8.0801 119.1547 52.6637 39.7903 174.1618 29 I 3.8956 8.2612 122.2871 62.7558 37.3749 176.5148 30 G 3.9058 8.9655 113.7840 46.9113 0.0000 173.7895 31 S 4.5132 8.1069 112.6273 57.6623 63.4983 174.8964 32 G 3.9617 8.1982 108.6392 46.9206 0.0000 176.2063 33 K 4.1311 8.2843 121.4500 59.5088 32.0395 179.1323 34 T 3.9388 7.9320 115.5369 66.8303 67.9347 176.6327 35 T 3.8203 7.9607 117.1844 66.9529 68.3338 175.7729 36 Y 4.1108 7.9797 119.8847 60.6965 39.0283 177.5919 37 L 4.3410 8.2405 121.2788 58.0017 42.1342 178.5377 38 N 4.3551 8.2676 116.7796 56.5650 38.1956 176.6543 39 H 4.0789 7.4285 115.7944 58.9908 28.9948 176.9210 40 F 4.4794 8.0716 117.3971 58.5754 39.1035 177.1981 41 E 4.0083 8.4427 120.9919 58.6364 29.5972 178.4060 42 K 4.0275 7.5597 116.0537 58.4986 33.0073 176.8430 43 Y 4.8475 7.5676 117.5755 58.8432 38.1664 179.3777 44 K 4.7586 7.9893 121.0843 59.4527 32.1454 178.0109 45 N 4.2308 8.1841 113.9880 55.4046 38.6596 175.6041 46 D 4.9289 8.4486 115.9119 53.7085 42.8862 175.9373 47 I 4.7765 7.1981 119.4249 59.3641 40.1985 174.8502 48 C 4.3759 9.1247 127.8540 58.7914 32.5434 172.2101 49 L 5.0731 8.5971 126.9454 53.1661 43.4951 176.2635 50 L 4.7148 8.5765 125.7441 52.7852 43.6643 176.7592 51 T 4.4619 8.4233 114.4356 60.8134 70.0297 173.9481 52 E 3.7447 8.5011 123.4463 56.1293 30.2180 176.7058 53 P 4.2658 0.0000 0.0000 61.8815 30.8523 178.4773 54 V 2.5203 6.7668 119.2028 65.8356 31.3921 176.2325 55 E 3.8901 7.7154 116.7399 59.3335 29.6583 178.8991 56 K 4.1734 7.8221 117.8046 59.5627 32.0786 179.2787 57 W 4.8143 7.8837 118.9230 59.8351 28.9247 178.2508 58 R 4.4456 8.3514 116.9994 56.9982 30.6399 175.8093 59 N 5.0642 8.1034 117.5784 52.2104 39.9888 171.2063 60 V 3.9393 9.1935 121.5609 61.4790 31.5432 176.2264 61 N 4.0599 9.4251 128.7634 54.3766 35.9492 174.5628 62 G 4.0717 8.3695 107.9006 44.6125 0.0000 174.3516 63 V 3.6891 8.1089 120.2365 62.2602 32.2459 174.6713 64 N 5.1279 8.1314 126.8509 51.5926 38.2103 175.1795 65 L 3.8294 8.3382 128.3977 56.8856 41.9216 178.8148 66 L 3.6098 8.0688 122.5587 58.6793 42.1997 179.1492 67 E 3.8651 9.2928 119.0868 61.3172 29.7375 181.0290 68 L 3.9755 7.3351 119.7681 57.6121 41.1932 179.5515 69 M 4.1006 7.3201 119.7326 59.1789 32.2211 178.1814 *70 Y 4.1001 7.4272 121.9947 62.6445 37.1472 180.4294 71 K 4.3463 7.9616 124.8590 58.8793 33.2051 179.1589 72 D 5.0132 7.9457 118.4333 51.3705 43.0521 173.4118 73 P 4.3816 0.0000 0.0000 65.1880 31.5530 177.7718 74 K 4.1196 8.0866 117.0519 58.3910 31.9501 178.5323 75 K 4.0280 7.6819 117.3968 58.3105 32.8129 178.0028 76 W 4.6704 8.0534 116.8360 56.8614 29.6642 178.1250 77 A 4.1952 8.3591 122.2441 55.5721 17.7457 178.8637 78 M 3.9713 8.1961 116.2926 58.5186 32.2223 176.4153 79 P 4.2367 0.0000 0.0000 65.7609 31.5011 177.8324 80 F 4.2295 8.6103 120.4363 61.5112 39.2624 177.2677 81 Q 3.5466 8.5190 117.8567 58.5528 28.5421 178.5347 82 S 3.7763 8.1578 114.5415 61.5995 62.3163 175.7780 83 Y 4.0348 8.1520 122.4331 60.3700 38.4141 177.6969 84 V 2.8628 7.4107 119.5580 66.0900 31.4280 177.8270 85 T 3.7202 7.6551 115.5711 66.6843 68.2466 176.0775 86 L 3.7641 7.3396 121.7872 58.3559 42.0060 179.1440 87 T 4.3842 7.5616 111.1042 64.4532 68.4995 176.3677 88 M 3.9475 8.1759 121.6793 58.2580 31.9615 178.6060 89 L 3.8883 7.8412 119.0053 57.8387 41.8309 179.6359 90 Q 3.9984 8.1151 117.9642 59.0869 28.7632 179.0772 91 S 4.0611 8.1884 116.1255 62.1378 62.7163 176.4371 92 H 4.2326 8.5791 118.2368 58.3623 28.5262 176.8269 93 T 4.3911 7.8587 108.1194 60.1642 69.7650 174.6432 94 A 4.0429 7.2256 125.2337 52.1654 18.9158 175.8201 95 P 4.6081 0.0000 0.0000 62.8066 32.6668 175.4648 96 T 4.4788 7.8729 111.6180 61.4185 69.8281 173.0336 97 N 4.6898 8.6454 123.9024 53.0581 38.2605 175.6155 98 K 4.2059 7.5857 118.5027 56.7635 32.5555 177.0338 99 K 4.4185 8.4279 119.3057 56.6872 32.7286 176.4582 100 L 4.9422 7.3301 120.7111 53.7298 45.9284 173.9212 101 K 5.0499 9.1654 126.0268 54.8836 36.0468 174.7190 102 I 5.0659 9.0893 127.8320 59.7562 40.6901 174.2292 103 M 5.1880 9.0774 126.4431 53.3817 35.2293 174.7070 104 E 4.5408 8.9032 124.8182 56.1780 30.1486 177.5383 105 R 4.4895 9.6496 128.3866 56.0408 29.9921 175.1918 106 S 4.5441 7.9676 111.8192 57.1327 67.1473 175.6654 107 I 3.5608 8.1574 120.3772 64.0419 37.3901 177.7038 108 F 3.6626 7.4174 118.6100 60.1743 38.7928 177.6039 109 S 3.6589 8.0704 113.6911 61.2271 62.7903 176.1855 110 A 4.0790 7.7258 124.2115 54.9781 17.9000 179.5410 111 R 3.3874 7.4633 116.8673 59.7071 29.8697 178.3561 112 Y 4.2139 7.2277 115.7388 60.2520 38.0827 176.6278 113 C 4.3239 8.1024 116.8746 61.6146 29.3756 176.1570 114 F 4.1311 7.8115 118.4025 60.5171 38.8265 178.1267 115 V 3.7142 8.1323 118.0397 66.0943 31.4943 177.6913 116 E 4.0182 7.9998 119.1653 59.2903 29.4410 178.3299 117 N 4.3228 8.2389 117.2274 56.9593 39.0664 176.8881 118 M 4.3695 8.2553 120.1154 58.0505 31.8689 178.7644 119 R 3.9687 8.1214 119.1343 59.4682 30.0672 178.4011 120 R 3.9373 7.5147 116.5610 59.3307 29.9655 177.9169 121 N 4.8280 8.3195 114.6239 52.1216 37.2210 175.6091 122 G 4.5736 8.0809 107.8634 47.0150 0.0000 175.6615 123 S 4.1600 7.7645 118.3281 60.5388 62.9399 174.1727 124 L 4.6086 7.7544 121.0780 53.0677 41.7044 176.9931 125 E 4.2212 8.5133 123.6718 55.6603 31.5210 177.4705 126 Q 4.1606 8.8500 121.7465 59.8952 28.8117 179.6359 127 G 3.6624 8.1163 105.7753 47.9309 0.0000 175.4764 128 M 4.0523 7.9872 120.4854 58.3623 32.1919 177.7335 129 Y 4.1993 8.0922 119.6179 61.1658 38.8369 178.1837 130 N 4.2012 8.3359 117.0480 56.4550 38.5870 177.6301 131 T 3.8434 7.7278 117.0307 66.5827 68.5911 176.6429 132 L 3.8434 7.6843 120.4207 57.8524 41.6279 179.5297 133 E 4.1082 7.8858 118.3408 59.4163 29.3752 179.1982 134 E 3.9525 8.3820 118.8830 59.1781 29.5207 179.4138 135 W 4.1805 8.1138 118.8247 60.1335 29.2339 177.9503 136 Y 4.4380 8.2514 116.9105 61.3698 36.8087 179.2360 137 K 4.1104 8.4125 119.2502 59.4492 32.0609 179.2933 138 F 4.2424 8.4854 121.0011 61.0881 39.2285 177.3395 139 I 3.7401 8.5409 120.4277 64.2818 36.7202 178.2071 140 E 4.1831 7.9368 116.7608 59.2604 29.4409 178.6928 141 E 4.0935 7.6626 118.1218 58.1976 29.7691 177.4096 142 S 4.5484 7.4974 112.8101 58.0862 65.9177 174.3775 143 I 4.8270 7.9644 121.1892 59.2970 39.4729 175.0799 144 H 4.3604 9.2244 128.2259 55.9604 30.2426 175.1179 145 V 3.9146 8.1808 126.8287 60.7185 31.0442 174.5559 146 Q 3.8288 8.2027 128.5537 55.7675 29.2665 175.7927 147 A 4.3593 8.3034 128.6708 51.7929 20.4108 174.4582 148 D 4.6011 8.2909 122.5666 55.8973 42.9246 177.5984 149 L 4.6807 7.3488 119.7737 53.9236 45.8161 174.2551 150 I 4.7743 8.7393 127.5247 60.0991 39.5344 174.7511 151 I 4.5195 8.7614 127.8400 59.8761 39.2875 174.3751 152 Y 4.9616 8.7311 130.5417 56.4682 39.4656 174.6689 153 L 4.1415 8.6455 129.4494 53.6000 40.1649 175.8684 154 R 3.4471 7.8293 123.0140 56.1439 31.4547 175.2443 155 T 5.1262 8.1627 115.0245 60.5592 72.6375 172.4185 156 S 4.6777 8.5469 114.7073 55.7487 65.3051 172.9617 157 P 4.2103 0.0000 0.0000 66.1621 31.1266 178.7082 158 E 4.0647 8.0945 116.5282 59.4016 29.2711 179.3920 159 V 3.7642 7.3268 116.1280 66.0070 31.5178 177.4839 160 A 4.3239 8.2668 120.6748 55.2782 17.9431 178.7833 161 Y 4.4417 8.1632 117.4917 61.2451 38.9529 177.7359 162 E 4.1340 7.6304 117.3762 58.0706 29.9378 177.4881 163 R 4.2355 7.2966 117.8571 54.5469 30.5270 175.9478 *174 C 4.4556 8.1099 120.1826 57.9491 30.3485 174.1500 175 V 3.9429 7.5566 121.2772 62.2776 32.5713 174.4088 176 P 4.4134 0.0000 0.0000 62.4550 33.2578 177.5782 177 L 3.8187 7.9813 121.3572 57.9970 42.0194 179.1099 178 K 4.0784 7.9948 119.2690 59.6365 32.0114 177.8807 179 Y 4.3659 8.0256 119.2317 60.9318 38.8143 178.0126 180 L 3.9409 7.7302 118.4400 57.6729 41.5510 179.6573 181 Q 3.9834 8.2091 118.1387 58.8980 28.6854 178.1924 182 E 3.9295 8.2176 119.6348 59.7497 29.5100 179.6290 183 L 3.7754 7.8526 118.7730 57.7667 41.4754 179.0924 184 H 4.1583 8.2668 118.2414 59.4675 29.8606 177.1593 185 E 3.9529 8.4797 120.5882 59.3985 29.2795 179.4305 186 L 3.9900 7.9325 119.0033 58.1419 41.6556 179.2930 187 H 4.2893 8.5050 116.3451 58.7785 28.5765 177.7060 188 E 3.9034 8.4743 120.7155 59.4621 29.0922 179.0623 189 D 4.3812 8.6092 119.0829 57.2920 40.7247 178.8407 190 W 4.1878 8.1123 127.2690 59.8299 30.7913 177.1018 191 L 3.9330 7.6851 116.6053 54.4999 42.2514 177.0548 192 I 4.1976 7.3508 117.4094 63.3237 38.7244 176.8736 193 H 4.3300 7.2311 115.7780 57.9809 28.5897 175.0282 *197 P 4.0999 0.0000 0.0000 61.4307 32.8721 173.2319 198 Q 3.4724 7.9400 134.2235 55.0466 26.5040 172.3822 199 S 4.5692 8.2245 121.6201 58.7893 63.2942 174.0368 200 C 4.3449 7.7875 121.0234 58.8227 32.2104 173.2050 201 K 4.1691 8.6743 125.6673 56.5214 32.8496 175.8759 202 V 4.6282 8.2956 124.1713 61.0276 34.1564 174.8652 203 L 4.6161 8.5276 128.2551 53.1382 44.4062 175.0907 204 V 4.2945 8.3537 126.6980 62.4141 32.5639 175.0175 205 L 4.7267 8.7138 127.6257 52.7700 45.2246 175.3494 206 D 4.5915 8.7203 122.7856 53.2991 41.4985 175.5955 207 A 4.7201 8.5325 130.9497 51.9683 19.6303 176.5320 208 D 4.4520 7.8352 125.1801 55.9800 41.0868 176.8557 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 12 T 8.17 4.34 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 13 K 7.68 4.25 0.00 2.13 1.79 0.00 1.69 0.00 0.00 1.99 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.49 7.81 14 Y 9.00 4.27 0.00 3.01 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 15 A 8.11 3.41 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 16 E 7.80 3.77 0.00 2.13 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 0.00 2.21 2.03 0.00 17 G 8.71 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 0.00 0.00 0.00 18 T 7.67 4.48 4.18 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 1.17 0.00 0.00 19 Q 7.77 4.64 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.05 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 20 P 0.00 4.72 0.00 2.20 2.24 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 21 F 8.82 4.13 0.00 3.20 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 22 T 9.28 5.21 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 1.26 0.00 0.00 23 V 9.07 4.88 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 1.16 0.00 0.00 1.13 0.00 0.00 24 L 9.02 5.15 0.00 1.68 1.73 1.26 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 25 I 9.04 4.55 1.99 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 1.46 1.15 1.05 0.00 0.00 26 E 9.66 5.19 0.00 1.88 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 2.40 2.58 0.00 27 G 8.41 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.08 4.67 0.00 2.79 2.78 0.00 0.00 6.89 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 29 I 8.26 3.90 2.06 0.00 0.00 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 1.67 0.95 1.09 0.00 0.00 30 G 8.97 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 0.00 0.00 0.00 31 S 8.11 4.51 0.00 4.12 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 32 G 8.20 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 33 K 8.28 4.13 0.00 1.92 1.99 0.00 1.81 0.00 0.00 1.97 0.00 0.00 3.28 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.64 1.63 7.81 34 T 7.93 3.94 4.28 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 1.23 0.00 0.00 35 T 7.96 3.82 4.48 0.00 0.00 0.00 0.00 0.00 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 36 Y 7.98 4.11 0.00 3.14 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 37 L 8.24 4.34 0.00 2.07 1.72 0.93 0.74 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 38 N 8.27 4.36 0.00 2.94 2.80 0.00 0.00 6.89 8.32 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 39 H 7.43 4.08 0.00 2.77 2.93 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.07 4.48 0.00 3.25 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 41 E 8.44 4.01 0.00 2.12 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 2.28 2.27 0.00 42 K 7.56 4.03 0.00 1.59 1.66 0.00 1.34 0.00 0.00 1.45 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.62 0.21 7.81 43 Y 7.57 4.85 0.00 3.22 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 44 K 7.99 4.76 0.00 1.93 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.61 7.81 45 N 8.18 4.23 0.00 2.77 2.92 0.00 0.00 6.72 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 46 D 8.45 4.93 0.00 2.62 2.69 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 47 I 7.20 4.78 2.01 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.97 0.00 0.00 48 C 9.12 4.38 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.60 5.07 0.00 1.55 1.58 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.58 4.71 0.00 1.55 1.54 0.90 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.42 4.46 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 1.20 0.00 0.00 52 E 8.50 3.74 0.00 2.12 1.76 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 2.15 2.40 0.00 53 P 0.00 4.27 0.00 1.84 1.81 0.00 3.40 0.00 0.00 3.57 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4.10 0.00 2.49 2.20 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 71 K 7.96 4.35 0.00 1.79 1.78 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.34 7.81 72 D 7.95 5.01 0.00 2.76 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 73 P 0.00 4.38 0.00 2.22 2.11 0.00 3.69 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 74 K 8.09 4.12 0.00 1.73 1.89 0.00 1.82 0.00 0.00 2.00 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.33 7.81 75 K 7.68 4.03 0.00 1.93 1.92 0.00 1.98 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.74 1.23 7.81 76 W 8.05 4.67 0.00 3.43 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 77 A 8.36 4.20 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 78 M 8.20 3.97 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 79 P 0.00 4.24 0.00 2.56 2.34 0.00 3.80 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 1.85 0.00 80 F 8.61 4.23 0.00 3.24 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 81 Q 8.52 3.55 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 82 S 8.16 3.78 0.00 3.80 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 83 Y 8.15 4.03 0.00 3.06 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 84 V 7.41 2.86 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 0.55 0.00 0.00 -1.34 0.00 0.00 85 T 7.66 3.72 4.10 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 1.00 0.00 0.00 86 L 7.34 3.76 0.00 1.56 1.56 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 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0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 104 E 8.90 4.54 0.00 2.03 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 2.38 2.38 0.00 105 R 9.65 4.49 0.00 2.11 2.15 0.00 3.62 0.00 0.00 3.45 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 106 S 7.97 4.54 0.00 4.17 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 0.00 107 I 8.16 3.56 1.68 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.28 -0.16 0.00 0.00 108 F 7.42 3.66 0.00 3.26 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 0.00 109 S 8.07 3.66 0.00 4.36 4.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 4.08 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 0.00 111 R 7.46 3.39 0.00 0.67 0.67 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 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0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 129 Y 8.09 4.20 0.00 3.14 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 0.00 130 N 8.34 4.20 0.00 2.81 2.84 0.00 0.00 7.10 6.88 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 0.00 131 T 7.73 3.84 4.39 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 0.00 0.00 0.00 1.33 0.00 0.00 132 L 7.68 3.84 0.00 1.77 1.51 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 133 E 7.89 4.11 0.00 1.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.91 0.00 134 E 8.38 3.95 0.00 2.07 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 2.46 2.42 0.00 135 W 8.11 4.18 0.00 3.41 2.90 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 0.00 136 Y 8.25 4.44 0.00 3.17 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 0.00 137 K 8.41 4.11 0.00 2.04 1.91 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.68 7.81 138 F 8.49 4.24 0.00 2.99 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 0.00 139 I 8.54 3.74 2.14 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.87 0.93 0.00 0.00 140 E 7.94 4.18 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.45 0.00 141 E 7.66 4.09 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 142 S 7.50 4.55 0.00 3.57 3.27 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 0.00 143 I 7.96 4.83 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 1.02 0.00 0.00 144 H 9.22 4.36 0.00 3.09 3.39 0.00 5.92 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 V 8.18 3.91 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 0.45 0.00 0.00 0.75 0.00 0.00 146 Q 8.20 3.83 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 147 A 8.30 4.36 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 0.00 148 D 8.29 4.60 0.00 1.58 1.85 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 0.00 149 L 7.35 4.68 0.00 1.82 1.52 0.99 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 150 I 8.74 4.77 1.71 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.73 0.00 0.00 151 I 8.76 4.52 1.92 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 0.78 0.00 0.00 152 Y 8.73 4.96 0.00 2.82 2.73 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 0.00 153 L 8.65 4.14 0.00 1.56 1.53 0.95 0.22 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 0.00 154 R 7.83 3.45 0.00 0.67 1.45 0.00 2.92 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.21 0.00 155 T 8.16 5.13 4.33 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 1.28 0.00 0.00 156 S 8.55 4.68 0.00 4.12 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 0.00 157 P 0.00 4.21 0.00 2.15 2.16 0.00 3.47 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 158 E 8.09 4.06 0.00 2.08 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 2.42 2.45 0.00 159 V 7.33 3.76 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 0.82 0.00 0.00 0.94 0.00 0.00 160 A 8.27 4.32 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 0.00 0.00 0.00 0.00 0.00 161 Y 8.16 4.44 0.00 3.02 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 E 7.63 4.13 0.00 2.20 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 2.32 2.38 0.00 163 R 7.30 4.24 0.00 1.84 1.88 0.00 3.22 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 *174 C 8.11 4.46 0.00 3.19 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 V 7.56 3.94 2.32 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 1.00 0.00 0.00 1.10 0.00 0.00 176 P 0.00 4.41 0.00 2.23 1.94 0.00 3.62 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 177 L 7.98 3.82 0.00 0.97 1.34 0.84 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 178 K 7.99 4.08 0.00 1.85 1.83 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.65 1.52 7.81 179 Y 8.03 4.37 0.00 3.07 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 0.00 180 L 7.73 3.94 0.00 1.96 1.75 1.13 1.20 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 0.00 181 Q 8.21 3.98 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 182 E 8.22 3.93 0.00 2.11 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 2.34 2.38 0.00 183 L 7.85 3.78 0.00 1.51 1.52 0.34 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 184 H 8.27 4.16 0.00 3.36 3.55 0.00 5.79 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 0.00 185 E 8.48 3.95 0.00 2.14 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 2.53 2.52 0.00 186 L 7.93 3.99 0.00 1.74 1.64 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 187 H 8.50 4.29 0.00 3.36 3.12 0.00 5.82 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 0.00 188 E 8.47 3.90 0.00 2.11 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 2.28 2.30 0.00 189 D 8.61 4.38 0.00 2.80 2.73 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 0.00 190 W 8.11 4.19 0.00 3.03 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 0.00 191 L 7.69 3.93 0.00 1.02 1.11 -0.27 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 192 I 7.35 4.20 1.72 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 0.88 0.00 0.00 193 H 7.23 4.33 0.00 3.17 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *197 P 0.00 4.10 0.00 2.18 2.16 0.00 3.89 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 1.89 1.97 0.00 198 Q 7.94 3.47 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.72 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 199 S 8.22 4.57 0.00 3.88 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 0.00 200 C 7.79 4.34 0.00 2.88 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 0.00 201 K 8.67 4.17 0.00 1.73 1.72 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.40 7.81 202 V 8.30 4.63 1.98 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 0.65 0.00 0.00 0.70 0.00 0.00 203 L 8.53 4.62 0.00 1.80 1.52 0.95 0.99 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 0.00 204 V 8.35 4.29 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 0.62 0.00 0.00 0.97 0.00 0.00 205 L 8.71 4.73 0.00 1.41 1.40 0.74 0.66 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 0.00 206 D 8.72 4.59 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 A 8.53 4.72 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 D 7.84 4.45 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.