NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 R 4.6997 8.2549 119.6638 56.3623 31.6150 174.4866 14 C 4.7685 9.1050 121.1608 56.9013 32.8424 171.2588 15 K 5.1139 9.8316 125.2313 54.8258 34.5500 174.3856 16 L 5.4339 9.3857 127.7306 52.9576 45.3565 175.6065 17 V 5.0573 8.5068 121.5808 61.2140 34.5069 173.9693 18 L 5.2057 8.7697 127.8418 53.4415 43.2964 176.2959 19 V 4.2663 9.6063 116.1761 59.1306 36.6756 174.5355 20 G 3.6290 6.7120 108.9280 43.4626 0.0000 172.1783 21 D 4.8555 8.1478 120.0366 54.3001 41.4189 177.2732 22 V 3.6981 8.4488 114.5700 63.2637 32.0123 176.1560 23 Q 3.1570 8.5431 119.8896 56.7308 26.2245 174.5303 24 C 4.1790 7.6549 114.2768 59.3371 30.2602 173.8884 25 G 3.8880 8.4258 108.6812 45.5020 0.0000 175.7701 26 K 3.9293 8.3841 121.3016 59.7887 32.0461 179.3530 27 T 3.8807 7.8986 115.2398 66.3532 68.4070 176.2549 28 A 3.9164 8.0448 122.3032 55.5664 18.3303 179.4234 29 M 3.9974 7.8438 116.3736 58.6495 32.0906 179.0354 30 L 3.5470 7.4487 118.6805 57.6716 41.5447 179.6893 31 Q 3.8015 8.0066 118.2723 58.7749 28.4032 178.9931 32 V 3.5675 7.4798 118.2033 65.8046 31.6772 177.5374 33 L 3.7718 8.0417 118.8976 57.7050 42.0156 177.9435 34 A 4.5159 8.2232 118.1837 52.0099 20.3057 177.3390 35 K 4.3964 7.8607 114.0536 55.4283 33.2044 175.6201 36 D 4.4351 8.1039 117.2161 54.6151 38.2922 173.4571 37 C 4.5517 7.9426 116.9734 58.4187 34.5712 171.7719 38 Y 4.4854 8.6903 128.7718 55.4564 38.0040 173.3671 39 P 4.4327 0.0000 0.0000 61.1579 30.5613 176.2632 40 E 3.8022 8.3133 123.5396 58.5136 30.0598 177.4074 41 T 4.4077 6.8259 114.1381 61.7184 69.8439 173.6643 42 Y 4.3209 8.5511 127.7040 57.2794 39.1283 174.7268 43 V 3.9034 7.9786 126.9281 59.6903 33.4781 173.1619 44 P 4.1765 0.0000 0.0000 63.2145 31.5840 176.1765 45 T 4.2608 8.3166 118.0736 62.9912 69.3470 172.9117 46 V 3.7652 7.2765 121.2026 62.9745 32.5677 174.4699 47 F 5.4931 7.2444 116.3281 55.9317 41.1999 172.9141 48 E 4.5201 9.2336 120.7079 55.0171 33.6660 173.0531 49 N 4.7468 8.2321 122.8166 51.8613 41.0657 173.1898 50 Y 4.5482 8.7702 124.0487 56.7292 40.9138 174.8973 51 T 5.0776 8.4510 117.8822 61.9402 70.9884 173.2702 52 A 4.8398 8.7988 127.7038 50.0537 23.0422 174.2558 53 C 5.1741 8.5073 118.3373 57.7174 34.3916 173.1007 54 L 4.8780 8.8223 128.6256 53.3577 44.4654 176.9464 55 E 4.3169 8.8044 120.1027 55.6560 30.5721 173.0718 *59 Q 4.1416 8.4498 122.8802 55.7718 30.0149 176.0675 60 R 4.1749 8.4804 120.6089 55.9063 30.4768 174.1132 61 V 4.4517 8.4649 122.5167 60.1872 34.5901 173.8649 62 E 4.7780 8.8403 129.2337 55.3079 30.9093 174.4118 63 L 5.0135 8.9825 128.5903 53.5753 43.9918 175.7455 64 S 5.0003 9.5499 119.4635 56.8793 64.1339 172.5339 65 L 5.3032 8.9884 128.7535 52.8948 44.1395 175.6366 66 W 4.9558 9.5686 125.0813 55.0717 31.3310 174.6164 67 D 5.3744 9.3576 126.1490 53.3438 42.5334 175.2651 68 T 5.2803 8.2761 113.6306 59.6959 72.3542 173.2865 69 S 4.3206 8.5879 117.8381 58.4570 62.9182 174.1641 70 G 4.4082 8.9027 114.0030 45.1194 0.0000 173.1787 71 S 4.7609 8.5737 115.9213 56.2906 63.6239 173.4320 72 P 4.9678 0.0000 0.0000 65.0289 31.3977 177.9353 73 Y 3.9479 8.0284 118.8054 60.1187 38.8748 176.2843 74 Y 4.8539 7.8372 115.9029 57.9070 38.5350 177.4471 75 D 4.4824 8.0817 123.2029 57.1527 40.5017 177.7456 76 N 4.5605 8.1129 115.5007 54.4254 39.2460 176.5580 77 V 4.0156 7.5786 119.5832 63.0748 32.7177 177.8062 78 R 3.7030 7.8206 119.2696 58.9356 30.0179 176.7155 79 P 3.8094 0.0000 0.0000 65.1345 31.1948 178.3934 80 L 3.9219 7.6048 117.8007 57.6203 41.1581 179.0639 81 C 3.6166 7.3353 115.7738 62.1960 28.1359 175.1969 82 Y 4.3911 7.4049 117.9477 59.4717 37.4137 176.3481 83 S 4.0781 6.9005 115.3272 60.2860 63.2683 173.7647 84 D 4.4633 8.7323 123.2829 55.2104 38.2839 173.9932 85 S 4.5738 7.5851 112.6868 58.1022 64.1977 173.6559 86 D 4.7358 9.0730 122.3126 56.8258 41.6046 176.5722 87 A 4.9024 7.7702 117.1424 51.1785 23.1339 175.0688 88 V 4.7209 8.8001 119.6478 61.2558 34.3854 174.9200 89 L 4.9050 9.2114 128.6891 53.2289 42.4108 175.2389 90 L 4.5752 8.6859 127.6366 54.9157 42.4685 175.1958 91 C 5.3657 9.2196 125.3932 58.3100 30.8072 173.0908 92 F 4.9258 8.6729 116.1525 55.5065 42.1624 172.5264 93 D 5.0768 8.6792 118.9187 52.7647 41.9066 177.4548 94 I 4.0521 8.5348 128.1706 64.2856 37.3273 177.7715 95 S 4.6491 8.5015 112.8636 58.9695 63.5010 174.9948 96 R 4.6367 7.9871 120.9177 53.5989 30.1773 174.4899 97 P 4.4480 0.0000 0.0000 63.9794 31.1009 178.4944 98 E 4.5239 8.0069 116.1461 57.5275 31.1857 180.5378 99 T 4.5201 8.2111 106.1050 63.3696 69.3265 174.5654 100 V 3.5840 7.5221 122.3485 63.3482 32.0218 177.2310 *103 A 4.3701 8.0340 122.7204 51.6238 20.5715 179.4057 104 L 4.3234 7.7203 117.8103 58.6704 41.5141 180.2564 105 K 3.8993 8.2033 123.2451 59.8171 31.5367 182.9404 106 K 3.9321 7.9700 120.1355 59.1518 31.9672 178.7196 107 W 4.3234 8.1027 118.8802 59.9577 29.1087 178.5723 108 R 3.9884 8.4278 118.7955 59.7556 29.4037 178.7124 109 T 3.8954 7.8757 115.2500 66.3231 68.4057 176.2194 110 E 4.1010 8.6374 121.7235 59.6587 29.8701 179.0033 111 I 3.3285 8.0773 119.8190 64.1122 36.8583 178.2968 112 L 3.9372 7.6613 120.2880 58.1593 42.0544 178.3389 113 D 4.3300 8.1472 117.9968 57.2610 40.8308 177.7194 114 Y 4.3871 7.7509 115.0081 58.8304 39.2542 175.9962 115 C 4.7112 7.8380 121.0912 57.2545 31.8479 173.3346 116 P 4.3510 0.0000 0.0000 64.8129 31.7434 177.4257 117 S 4.2500 7.9099 112.7598 60.2201 62.9914 173.5618 118 T 4.5123 7.4698 115.8912 61.0572 68.6287 174.5585 119 R 4.4305 8.4904 123.9675 55.9714 31.8054 175.0327 120 V 4.8484 8.2255 118.8792 61.1746 34.8371 173.8223 121 L 5.0283 8.8217 127.5638 52.8700 44.5748 175.0116 122 L 5.0255 8.6943 125.7394 53.9165 44.0252 175.0006 123 I 4.6882 8.9434 127.8066 59.4571 40.0105 174.8558 124 G 3.6030 8.5074 115.5217 45.2672 0.0000 172.1736 125 C 5.0951 8.1415 121.2063 57.6213 32.6670 173.6419 126 K 4.0502 8.7567 115.7809 57.6011 29.0990 178.2548 127 T 3.9817 7.7966 110.7671 64.4972 68.4717 174.9192 128 D 4.4598 8.2647 121.9022 56.3953 39.0403 177.8430 129 L 4.2722 8.0514 118.8703 56.0541 41.4898 178.9921 130 R 4.1193 7.9013 118.2644 58.2538 29.9332 177.2966 131 T 4.4628 7.3147 107.0209 61.1132 69.2386 173.7163 132 D 4.6428 7.7199 122.5176 53.4512 42.0453 176.3423 133 L 3.9572 8.4960 129.2604 58.4693 42.2336 178.7312 134 S 4.1894 8.0270 112.5119 61.5123 62.3177 176.0505 135 T 3.8724 8.0682 118.2669 66.7440 68.2714 176.6660 136 L 4.0161 8.0346 120.8087 57.9463 41.4617 179.5769 137 M 4.0920 8.6237 119.0992 58.4166 31.6722 178.6946 138 E 3.9926 8.2419 118.7261 59.2795 29.5526 179.3361 139 L 3.9505 8.1474 119.4112 57.9478 41.6714 179.8761 140 S 4.1566 8.2307 114.0399 61.3182 62.6546 175.9829 *141 H 4.3391 7.8836 118.2415 57.6761 28.1848 176.3870 142 Q 4.4845 7.2638 119.2590 54.6738 29.5074 175.3636 143 K 3.8621 7.5017 117.0677 57.8229 30.3994 174.4295 144 Q 4.7210 8.1555 115.1974 54.0840 31.9555 175.0114 145 A 4.7715 7.9985 120.3225 49.6560 22.3020 174.3439 146 P 4.6636 0.0000 0.0000 62.5122 32.2104 176.6578 147 I 4.1703 8.5386 124.5129 61.9927 37.8511 176.2837 148 S 4.6786 9.0626 121.5290 57.2865 65.4901 174.8067 149 Y 4.2887 8.7815 119.7905 61.1890 38.5513 177.7497 150 E 3.8633 8.2732 118.9610 59.2909 29.6473 179.0136 151 Q 4.0241 8.0184 117.9432 58.9391 28.7341 179.2937 152 G 2.4633 7.6292 106.6705 47.3827 0.0000 175.6634 153 C 3.9994 7.3007 118.7677 62.3423 28.0029 176.0963 154 A 3.9036 7.8235 122.3876 55.1124 17.9191 179.7198 155 I 3.4925 7.6611 118.1270 64.3282 37.0536 178.1104 156 A 4.0568 7.9589 123.9928 56.0059 18.2271 180.1951 157 K 3.8185 7.8485 121.3143 60.3030 31.5607 181.1075 158 Q 4.2344 8.1061 119.4061 58.0850 29.0168 177.1202 159 L 4.4677 8.0031 117.9608 53.2488 42.6366 176.2547 160 G 3.8404 7.7630 106.6060 46.5009 0.0000 173.7885 161 A 4.7638 7.9752 120.6271 50.1455 21.1271 177.4951 162 E 4.2305 8.9140 122.7660 59.3239 29.8175 177.4642 163 I 4.6894 7.6053 117.3672 59.7094 42.0384 172.0219 164 Y 5.3950 8.5734 127.6522 56.1359 40.2845 174.6780 165 L 4.8049 8.3710 125.4778 52.9836 46.3107 175.1723 166 E 4.8320 8.2808 117.9302 55.6415 33.1980 174.4521 167 G 4.0890 8.1795 105.9911 45.9818 0.0000 171.3613 168 S 4.8853 8.6645 114.3426 56.3846 64.5661 175.7034 169 A 4.1117 9.0090 131.0124 54.7791 18.7174 178.1524 170 F 3.6200 8.2375 117.5901 60.3246 39.6162 176.2205 171 T 4.0484 7.6427 107.4946 61.6384 70.0673 175.0094 172 S 4.4160 8.0207 117.2118 55.1917 63.4695 173.0602 173 E 3.9556 8.7464 126.4754 59.1987 29.5241 178.1188 174 K 3.9497 8.1343 117.8345 59.5866 32.0198 179.2360 175 S 4.1696 7.9162 114.0201 61.3907 62.9887 176.6489 176 I 3.7681 7.7164 122.9831 64.5315 36.9823 177.9053 177 H 4.2173 8.4448 117.0330 58.8887 28.5668 177.8678 178 S 4.1248 8.0160 114.6562 61.2565 62.1612 176.0442 179 I 3.5530 7.9020 122.6589 64.7071 36.9182 178.4632 180 F 3.9728 8.0892 117.8238 60.0966 38.8530 177.9632 181 R 4.1324 8.2859 118.7146 59.4946 29.8104 178.7692 182 T 3.9060 7.8897 115.1098 66.3439 68.5228 176.5438 183 A 3.9536 8.0897 122.8972 55.3303 18.0716 179.7237 184 S 4.1377 8.6298 114.0972 62.1068 62.7586 176.9658 185 M 4.1031 7.7378 117.8552 58.3245 30.9380 178.3499 186 L 4.1622 7.7546 119.5539 57.6215 42.0198 178.8395 187 C 4.4466 8.2185 114.7020 60.4450 29.7067 174.2247 188 L 4.3925 7.4046 126.3081 54.3915 41.4742 181.5501 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 13 R 8.25 4.70 0.00 1.75 1.99 0.00 3.14 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.70 0.00 14 C 9.10 4.77 0.00 2.88 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 15 K 9.83 5.11 0.00 2.00 1.74 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.68 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.43 1.64 7.81 16 L 9.39 5.43 0.00 1.76 1.66 1.13 0.59 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 17 V 8.51 5.06 2.28 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 0.99 0.00 0.00 1.05 0.00 0.00 18 L 8.77 5.21 0.00 1.63 1.59 1.13 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.61 4.27 1.68 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 0.85 0.00 0.00 0.96 0.00 0.00 20 G 6.71 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 0.00 0.00 0.00 21 D 8.15 4.86 0.00 2.93 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 22 V 8.45 3.70 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 0.93 0.00 0.00 1.00 0.00 0.00 23 Q 8.54 3.16 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.12 0.00 0.00 0.00 0.00 0.00 1.16 1.82 0.00 24 C 7.65 4.18 0.00 3.08 3.17 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 25 G 8.43 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 26 K 8.38 3.93 0.00 1.82 1.87 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.48 7.81 27 T 7.90 3.88 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 28 A 8.04 3.92 1.33 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 0.00 0.00 29 M 7.84 4.00 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.64 0.00 30 L 7.45 3.55 0.00 0.91 0.45 0.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.01 3.80 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 32 V 7.48 3.57 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 0.81 0.00 0.00 1.22 0.00 0.00 33 L 8.04 3.77 0.00 1.32 1.41 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.22 4.52 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 35 K 7.86 4.40 0.00 1.85 1.83 0.00 2.04 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.48 7.81 36 D 8.10 4.44 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 C 7.94 4.55 0.00 2.99 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 8.69 4.49 0.00 2.97 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 39 P 0.00 4.43 0.00 2.11 2.26 0.00 3.40 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 40 E 8.31 3.80 0.00 2.14 2.30 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 2.27 2.31 0.00 41 T 6.83 4.41 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 42 Y 8.55 4.32 0.00 2.78 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 43 V 7.98 3.90 1.97 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 0.79 0.00 0.00 0.83 0.00 0.00 44 P 0.00 4.18 0.00 2.17 2.01 0.00 3.44 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 45 T 8.32 4.26 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 1.23 0.00 0.00 46 V 7.28 3.77 1.74 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 0.66 0.00 0.00 0.70 0.00 0.00 47 F 7.24 5.49 0.00 3.16 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 48 E 9.23 4.52 0.00 1.95 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 1.83 1.47 0.00 49 N 8.23 4.75 0.00 1.44 1.97 0.00 0.00 7.07 7.93 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 50 Y 8.77 4.55 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.45 5.08 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 1.20 0.00 0.00 52 A 8.80 4.84 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 53 C 8.51 5.17 0.00 2.94 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 54 L 8.82 4.88 0.00 1.70 1.56 0.94 0.81 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 55 E 8.80 4.32 0.00 1.99 1.73 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 2.23 1.90 0.00 *59 Q 8.45 4.14 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 60 R 8.48 4.17 0.00 1.83 1.72 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 61 V 8.46 4.45 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 0.92 0.00 0.00 0.96 0.00 0.00 62 E 8.84 4.78 0.00 2.15 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 2.35 2.41 0.00 63 L 8.98 5.01 0.00 1.63 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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 72 P 0.00 4.97 0.00 2.26 2.10 0.00 4.03 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 73 Y 8.03 3.95 0.00 2.76 2.71 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 74 Y 7.84 4.85 0.00 3.26 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 75 D 8.08 4.48 0.00 2.75 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 76 N 8.11 4.56 0.00 2.66 2.85 0.00 0.00 6.83 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 77 V 7.58 4.02 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 0.93 0.00 0.00 0.62 0.00 0.00 78 R 7.82 3.70 0.00 1.98 1.97 0.00 3.66 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.00 79 P 0.00 3.81 0.00 1.63 0.53 0.00 3.37 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 80 L 7.60 3.92 0.00 1.56 1.48 0.79 0.84 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 81 C 7.34 3.62 0.00 2.67 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 82 Y 7.40 4.39 0.00 3.12 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 83 S 6.90 4.08 0.00 3.88 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 84 D 8.73 4.46 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.59 4.57 0.00 4.01 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 86 D 9.07 4.74 0.00 2.76 2.80 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 87 A 7.77 4.90 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 88 V 8.80 4.72 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 1.19 0.00 0.00 1.02 0.00 0.00 89 L 9.21 4.90 0.00 1.60 1.57 0.64 0.34 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 90 L 8.69 4.58 0.00 1.87 1.78 0.97 1.07 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 91 C 9.22 5.37 0.00 2.84 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 92 F 8.67 4.93 0.00 3.19 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 93 D 8.68 5.08 0.00 2.78 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 94 I 8.53 4.05 2.08 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.68 1.07 0.00 0.00 95 S 8.50 4.65 0.00 4.00 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 96 R 7.99 4.64 0.00 1.92 1.89 0.00 3.16 0.00 0.00 3.22 7.23 0.00 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0.00 0.82 1.19 7.81 107 W 8.10 4.32 0.00 3.55 3.29 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 0.00 108 R 8.43 3.99 0.00 2.11 1.97 0.00 3.19 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 109 T 7.88 3.90 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 1.24 0.00 0.00 110 E 8.64 4.10 0.00 2.12 2.35 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 2.71 2.71 0.00 111 I 8.08 3.33 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.29 0.79 0.00 0.00 112 L 7.66 3.94 0.00 1.78 1.84 0.89 1.26 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 0.00 113 D 8.15 4.33 0.00 2.71 2.30 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 0.00 114 Y 7.75 4.39 0.00 3.03 3.17 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 0.00 115 C 7.84 4.71 0.00 2.54 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 0.00 116 P 0.00 4.35 0.00 2.19 2.27 0.00 3.79 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 117 S 7.91 4.25 0.00 3.85 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 0.00 118 T 7.47 4.51 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 1.28 0.00 0.00 119 R 8.49 4.43 0.00 1.94 2.05 0.00 3.21 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.64 0.00 120 V 8.23 4.85 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 1.12 0.00 0.00 0.95 0.00 0.00 121 L 8.82 5.03 0.00 1.64 1.49 0.98 0.13 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 0.00 122 L 8.69 5.03 0.00 1.93 1.80 1.21 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 123 I 8.94 4.69 1.78 0.00 0.00 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 1.09 0.89 0.78 0.00 0.00 124 G 8.51 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 C 8.14 5.10 0.00 2.88 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.76 4.05 0.00 1.99 1.91 0.00 2.06 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.36 7.81 127 T 7.80 3.98 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 128 D 8.26 4.46 0.00 2.96 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 0.00 129 L 8.05 4.27 0.00 1.87 1.77 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.90 4.12 0.00 1.92 2.03 0.00 3.17 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.84 0.00 131 T 7.31 4.46 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 140 S 8.23 4.16 0.00 4.07 4.38 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 *141 H 7.88 4.34 0.00 3.30 3.37 0.00 7.10 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 0.00 142 Q 7.26 4.48 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 143 K 7.50 3.86 0.00 1.79 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.39 7.81 144 Q 8.16 4.72 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 145 A 8.00 4.77 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 0.00 146 P 0.00 4.66 0.00 2.00 2.13 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 147 I 8.54 4.17 2.18 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 1.63 0.89 0.98 0.00 0.00 148 S 9.06 4.68 0.00 3.98 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 8.78 4.29 0.00 3.20 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 0.00 150 E 8.27 3.86 0.00 2.05 1.97 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 2.65 2.45 0.00 151 Q 8.02 4.02 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 152 G 7.63 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 0.00 0.00 0.00 153 C 7.30 4.00 0.00 2.94 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 0.00 154 A 7.82 3.90 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 0.00 155 I 7.66 3.49 1.63 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.72 0.00 0.00 156 A 7.96 4.06 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 0.00 0.00 157 K 7.85 3.82 0.00 1.81 1.85 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 158 Q 8.11 4.23 0.00 2.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 159 L 8.00 4.47 0.00 1.65 1.70 0.94 1.11 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 0.00 160 G 7.76 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 0.00 0.00 0.00 161 A 7.98 4.76 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 0.00 162 E 8.91 4.23 0.00 1.85 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 2.37 2.30 0.00 163 I 7.61 4.69 1.89 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 1.25 1.37 0.91 0.00 0.00 164 Y 8.57 5.39 0.00 2.94 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 0.00 165 L 8.37 4.80 0.00 1.33 1.28 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 166 E 8.28 4.83 0.00 1.92 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 2.26 2.33 0.00 167 G 8.18 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 0.00 168 S 8.66 4.89 0.00 3.96 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 0.00 169 A 9.01 4.11 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 0.00 170 F 8.24 3.62 0.00 2.44 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 0.00 171 T 7.64 4.05 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 172 S 8.02 4.42 0.00 3.77 3.68 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 0.00 0.00 0.00 0.00 173 E 8.75 3.96 0.00 2.07 1.95 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 2.47 2.54 0.00 174 K 8.13 3.95 0.00 1.81 1.84 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.47 7.81 175 S 7.92 4.17 0.00 4.06 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 0.00 176 I 7.72 3.77 2.03 0.00 0.00 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 1.84 1.62 1.00 0.00 0.00 177 H 8.44 4.22 0.00 3.42 3.40 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 S 8.02 4.12 0.00 4.16 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 0.00 179 I 7.90 3.55 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.31 0.00 0.00 180 F 8.09 3.97 0.00 3.11 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 0.00 181 R 8.29 4.13 0.00 2.08 1.96 0.00 3.11 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 182 T 7.89 3.91 4.32 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 1.20 0.00 0.00 183 A 8.09 3.95 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 0.00 184 S 8.63 4.14 0.00 4.04 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 0.00 185 M 7.74 4.10 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.69 0.00 186 L 7.75 4.16 0.00 1.82 1.78 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 187 C 8.22 4.45 0.00 3.18 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 0.00 188 L 7.40 4.39 0.00 1.63 1.41 0.92 0.74 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 * Residues marked with a * may have inaccurate shift predictions.