NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.1794 8.2544 120.8577 56.1634 30.1930 174.2453 6 Q 4.1549 8.3622 127.7660 54.2841 29.8542 172.8388 7 I 4.6101 9.0492 127.9449 60.5611 39.2744 174.8685 8 L 4.7854 9.0448 124.3743 54.8333 44.4775 176.1015 9 A 5.2435 7.8502 118.8584 50.2567 23.2004 174.5508 10 A 5.0294 9.0742 122.2052 50.0994 21.9683 175.4908 11 I 4.9770 8.6519 123.5717 59.5963 40.1775 174.8086 12 F 4.8636 9.6707 126.8654 56.4244 41.3523 176.4778 13 D 5.2026 8.8877 122.8968 53.5175 43.3038 173.8863 *15 D 4.6478 7.9902 116.6611 55.8626 41.5667 176.1515 16 G 4.2503 9.2699 112.6948 46.4526 0.0000 172.6668 17 L 4.5786 7.7774 117.8438 56.5880 44.2847 177.0509 18 L 4.4601 7.4826 117.6190 56.2365 43.0497 176.5802 19 I 4.9442 7.5353 110.5359 58.5120 41.1361 175.1701 20 D 4.9232 8.8255 126.2339 53.4217 38.0260 176.7862 21 S 4.6201 7.9556 115.2616 59.2142 64.4368 176.0051 22 E 4.2052 8.3558 123.0624 59.2461 29.2881 177.2448 23 P 4.4052 0.0000 0.0000 65.6389 31.2743 178.5749 24 L 3.9532 7.8107 118.5625 57.4906 41.6409 179.0004 25 W 4.2026 8.7153 119.2890 59.8900 28.9048 178.2670 26 D 4.4781 8.3960 118.7629 57.4955 40.3176 178.8441 27 R 3.8792 8.0645 118.8984 59.2633 30.0575 178.3113 28 A 3.9228 8.2418 120.8059 55.1333 18.1693 179.2145 29 E 3.8387 8.2318 116.5735 59.2337 29.8319 178.3570 30 L 3.9625 7.9883 119.3809 58.3890 42.5554 178.3681 31 D 4.4767 8.0967 118.6515 57.2310 40.2743 179.3058 32 V 3.4696 7.4768 115.6244 63.5006 31.2672 177.3269 *34 A 4.1391 7.9825 122.2317 51.5776 20.1982 180.0378 35 S 4.1111 7.6898 109.0416 60.9280 63.0274 175.2016 36 L 4.0530 7.2057 118.5761 54.9222 41.5631 177.5721 37 G 3.9032 7.8611 107.6430 44.8427 0.0000 173.9752 38 V 3.5765 7.1618 119.7771 62.3745 31.7518 175.1796 39 D 4.5242 8.6611 126.6706 53.9471 40.4613 176.3913 40 I 3.9151 8.2934 129.2835 64.0699 37.4742 178.8646 41 S 4.2546 7.7742 113.1589 61.3573 62.8354 174.9391 42 R 4.7144 7.7958 117.7607 55.7480 30.1693 178.5913 43 R 3.8411 8.2890 122.4611 59.1343 30.0478 178.2609 44 N 4.4275 8.2355 114.9112 55.2746 37.2988 176.6540 45 E 4.0234 7.8447 118.1874 58.6841 29.7638 177.4317 46 L 4.1167 7.1318 117.9323 53.0656 42.3441 174.8146 47 P 4.4709 0.0000 0.0000 61.6798 32.3844 175.3558 48 D 4.3275 8.5036 118.3431 55.0481 41.3329 175.6391 49 T 4.4437 8.3440 114.7069 60.9325 69.3883 173.3493 50 L 4.0391 7.9222 125.0475 57.0539 42.1264 177.3881 51 G 3.9590 8.9328 114.0666 45.3292 0.0000 173.1423 52 L 4.2658 7.5789 119.6254 53.5520 41.7657 176.9621 53 R 3.8651 8.2432 121.9790 56.0444 30.9034 177.2245 54 I 3.8920 8.2197 123.9443 64.4022 38.2817 178.0003 55 D 4.7581 7.4602 121.0208 54.2506 40.1883 178.6262 *57 V 4.0436 7.9850 120.2396 63.0436 33.4828 177.3717 58 V 4.0336 8.2356 119.0429 66.2908 31.3166 177.7226 59 D 4.4562 8.3980 118.6681 57.2905 40.2807 178.7615 60 L 4.0047 7.9073 118.9732 57.6808 41.7409 179.3870 61 W 4.3772 8.4140 118.8318 60.1818 28.8671 178.0448 62 Y 4.0345 8.6451 118.1953 60.3322 38.1896 177.4682 63 A 4.1490 8.0699 121.4130 54.7668 18.5221 179.6424 64 R 4.2081 7.6085 115.4856 58.1956 31.6904 177.7870 65 Q 4.5180 8.3651 117.4977 52.7757 29.3746 171.7650 66 P 3.1297 0.0000 0.0000 61.8593 31.9552 177.0934 67 W 4.8394 7.4914 119.9391 54.6003 30.4242 174.3829 68 N 5.1822 9.0115 115.9256 51.5802 40.9283 176.7465 69 G 4.0806 8.7857 109.2998 43.7765 0.0000 175.6119 70 P 4.5551 0.0000 0.0000 62.3648 31.8922 176.6167 71 S 4.4994 9.4431 118.3445 57.8416 65.1050 175.7158 72 R 4.1716 8.2771 120.7672 59.7002 29.7408 179.1204 73 Q 4.0042 8.0210 118.7262 59.1886 29.1970 177.8815 74 E 4.0319 8.3952 119.7732 59.3137 29.4655 179.5172 75 V 3.5829 8.2155 118.5859 65.7878 31.5792 178.1187 76 V 3.6864 8.2318 118.4537 66.3573 31.3903 177.9635 77 E 4.0396 8.3299 118.1329 59.2792 29.2571 179.3653 78 R 3.8728 8.0108 118.8553 59.2618 30.0652 178.8147 79 V 3.5637 7.9856 118.0930 66.0159 31.5334 177.9262 80 I 3.6621 8.0599 119.4117 64.4663 36.9998 178.2726 81 A 3.9192 7.9296 121.3862 55.0471 18.2024 179.6718 82 R 3.6811 7.8715 116.9338 59.4034 30.1841 178.4781 83 A 3.5543 7.8950 120.8658 55.0671 18.0928 179.5706 84 I 3.4805 7.5168 118.2349 64.7446 37.1904 178.8809 85 S 4.2215 7.8757 115.7848 61.5607 62.5786 176.8420 86 L 3.9450 7.8156 121.8166 57.5248 41.3213 179.7417 87 V 3.5254 7.7729 118.2284 66.0619 31.3083 177.7868 88 E 3.8761 7.9834 117.1048 59.4671 29.3493 178.8433 89 E 4.0297 7.9504 118.3965 59.1680 29.8655 178.2376 90 T 4.2068 7.8186 107.5534 60.9999 70.8694 174.7722 91 R 3.8658 8.2484 120.2522 56.8020 28.5114 176.2128 92 P 4.7085 0.0000 0.0000 61.5881 30.4341 176.3851 93 L 4.0886 7.6031 125.1724 55.4580 43.0330 176.9374 94 L 4.3605 8.4420 126.1676 53.4586 43.2518 174.8963 95 P 4.2365 0.0000 0.0000 64.1763 31.8248 177.3985 96 G 3.9773 8.8769 110.2138 44.8435 0.0000 175.4437 97 V 3.4828 7.4081 118.2981 66.1210 31.5454 177.7901 98 R 3.8343 7.8663 117.8323 59.5573 29.4921 178.1899 99 E 3.9997 8.1198 117.6982 59.0792 29.5362 178.9422 100 A 4.0991 8.2402 121.2775 55.1906 18.3769 179.9066 101 V 3.4646 7.9603 116.6578 65.9924 31.5372 178.0305 102 A 3.9655 7.9825 120.5938 55.0991 18.2308 179.2686 103 L 3.8932 8.2695 119.0996 58.4886 42.1486 178.9023 104 C 4.1268 8.1320 116.6175 62.9236 28.1284 176.3888 105 K 3.9953 7.8543 119.7359 59.5599 31.4305 179.3475 106 E 4.0660 8.2103 117.8058 59.0294 29.3544 178.3837 107 Q 4.4798 7.9334 115.9935 55.3988 28.8529 176.2890 108 G 3.8745 7.8961 107.6493 45.9131 0.0000 173.4992 109 L 4.8983 7.5846 118.3948 52.6771 43.5179 176.8271 110 L 4.4139 8.5240 122.0949 54.7958 43.4331 176.1250 111 V 4.7864 9.1409 121.2928 61.2282 34.2887 174.8501 112 G 4.7209 9.5754 114.7665 44.3885 0.0000 171.2809 113 L 5.6525 9.0355 121.3671 53.0518 45.3949 175.0623 114 A 5.0846 8.9418 127.0159 50.3115 21.9026 174.7080 115 S 4.6889 8.9378 116.2495 56.8880 66.0244 174.9109 116 A 4.0722 8.6446 126.7525 54.2688 18.6915 178.5843 117 S 4.4544 7.7402 111.7323 57.3366 63.5684 172.5816 118 P 4.3727 0.0000 0.0000 62.3872 31.9370 176.4539 119 L 4.0807 8.7464 123.8770 58.6471 42.3017 180.0124 120 H 4.4946 8.0644 112.4417 55.7322 28.0050 177.0541 *122 L 4.2323 8.1177 121.4151 55.8490 43.6193 179.1841 123 E 3.9557 8.2601 118.0574 59.0824 29.0049 179.4971 124 K 3.8874 7.6595 118.4366 59.5272 32.4472 178.8052 125 V 3.7479 7.6504 116.6268 65.9146 31.7058 177.5400 126 L 4.2061 7.8611 118.6782 57.8818 41.4754 181.3354 127 T 4.2810 7.8322 116.4682 63.1989 68.0852 175.5809 *129 F 4.7263 7.8480 116.5484 56.3988 40.6380 174.8768 130 D 4.4404 7.5881 118.6888 55.8277 38.7680 174.2920 131 L 4.7158 8.1252 116.8178 54.5874 43.2796 179.1168 132 R 4.0119 8.0948 120.1505 59.2013 30.2978 178.0689 133 D 4.4573 8.1666 116.3382 56.3366 39.4967 177.7168 134 S 4.1733 7.9095 115.0159 60.2338 63.0405 174.0396 135 F 4.5786 7.8597 119.9196 56.2901 39.2493 175.5952 136 D 4.7367 9.1651 126.7126 56.6455 41.5557 176.7130 137 A 4.7664 7.9340 118.2543 50.6841 22.6423 175.0303 138 L 5.3209 8.6398 119.8932 52.8770 45.0593 175.9943 139 A 4.6445 9.2179 124.2502 50.3327 22.1408 174.7405 140 S 5.1299 8.7939 117.1256 56.5745 64.6238 173.7065 141 A 4.4082 8.9135 128.2668 52.1242 19.0468 178.7437 142 E 3.8829 8.1504 118.6208 59.3652 29.5646 178.2347 143 K 4.2661 7.8436 114.1914 56.8682 32.7273 177.0062 144 L 4.3320 7.3923 119.3608 53.3781 42.4106 175.2852 145 P 4.1695 0.0000 0.0000 65.1819 31.4608 176.9244 146 Y 4.5992 7.4591 113.6372 56.1803 41.4802 175.1427 147 S 4.5947 8.4289 118.8938 56.1956 64.5065 172.5814 148 K 4.3791 8.7969 119.3039 56.0541 31.9980 175.0049 149 P 4.7965 0.0000 0.0000 63.0726 31.6758 175.2313 150 H 4.2718 8.4321 120.9462 55.9231 30.3200 173.9842 151 P 4.8633 0.0000 0.0000 63.7643 31.4456 177.8313 152 Q 4.0636 8.4731 120.8302 59.6640 28.9001 178.5199 153 V 3.6214 7.8252 119.4186 65.1851 31.4188 177.7768 154 Y 4.1373 7.9276 116.9999 60.7122 37.7859 178.3950 155 L 4.1164 8.3176 120.0220 57.8685 41.6930 179.2685 156 D 4.4053 8.6294 119.4071 57.3695 40.6874 178.4227 157 C 4.1139 8.2322 119.0154 62.4778 31.6407 175.3306 158 A 4.0568 8.2037 122.1608 55.2764 17.6887 179.5280 159 A 3.9810 7.8984 118.2316 55.3127 18.5613 179.7949 160 K 4.1242 8.0949 116.0813 59.4787 32.1694 179.3888 161 L 4.2403 8.2563 119.2864 55.6806 41.4980 178.1445 162 G 3.9492 8.2861 105.8748 45.5933 0.0000 173.1690 163 V 4.5240 7.2862 110.4669 58.4489 35.4012 175.0601 164 D 4.4538 8.4654 121.4942 53.5441 41.8233 175.4475 165 P 4.2607 0.0000 0.0000 65.8742 31.2685 178.3241 166 L 4.1709 8.2401 118.3344 57.3383 41.7792 177.7875 167 T 4.6352 8.0143 107.6333 60.7372 68.9201 173.3543 168 C 5.3695 7.8686 119.4467 58.3381 30.6766 173.5114 169 V 4.5475 8.5576 121.8491 59.8687 33.5999 174.1313 170 A 5.0799 8.9144 127.5545 50.0271 21.5149 175.0648 171 L 5.0345 8.6834 123.0025 53.2067 43.8496 175.7019 172 E 5.2472 9.2110 122.9992 54.7199 34.0698 175.8537 173 D 5.3256 9.1942 119.1711 52.4821 41.1672 175.7298 174 S 5.1628 7.9946 112.7863 56.2827 66.3080 174.1640 175 V 3.5904 8.5042 121.3190 66.1908 31.8700 177.2041 176 N 4.4907 8.3709 116.9863 56.4349 38.6929 178.1264 177 G 4.5456 8.1615 105.2166 45.5298 0.0000 175.4177 *179 I 4.0004 7.9494 122.4467 60.9199 39.3638 177.9341 180 A 4.4014 8.3032 123.2646 54.7533 17.9462 179.9103 181 S 3.5076 7.7118 111.3692 61.3095 63.2729 176.5356 182 K 4.0522 7.9044 121.2901 58.7983 31.7228 178.9161 183 A 4.0672 8.4590 120.3084 54.1608 18.3717 178.4718 184 A 4.3034 7.4612 116.9232 51.1840 20.3880 175.9898 185 R 3.4659 7.2835 117.5057 55.9935 27.1635 175.2221 *187 R 4.2413 7.4682 119.8852 55.9812 32.4670 173.6607 188 S 5.0293 9.2019 118.5944 56.5747 65.8072 172.4214 189 I 5.0176 8.6163 127.7333 59.5899 39.7576 174.9428 190 V 4.7498 8.7445 120.0167 59.5817 34.8588 175.0875 191 V 4.4968 8.5466 124.2162 58.5760 31.4875 171.8711 192 P 4.4226 0.0000 0.0000 61.8297 32.2190 176.1221 193 A 4.1861 8.7619 126.5299 51.5905 19.2409 176.6598 194 P 4.5090 0.0000 0.0000 65.2248 31.1241 178.8969 195 E 4.0128 8.2871 115.1973 59.1506 29.7374 178.2588 196 A 4.5209 7.9408 118.3099 51.1644 19.5118 177.0213 197 Q 4.1641 7.3826 118.5374 57.8550 29.2872 177.2716 198 N 4.4064 9.0470 117.1302 53.6842 36.4350 173.7075 199 D 4.4280 8.2061 120.0216 53.3363 41.3605 175.3866 200 P 4.4051 0.0000 0.0000 65.6177 31.1868 178.1160 201 R 4.0634 8.1157 117.4733 57.9767 30.0058 177.9750 202 F 4.6753 7.8461 117.5447 59.0400 38.6338 177.2646 203 V 3.7338 7.5125 118.6557 64.4014 31.0683 177.7158 204 L 4.0451 7.6614 119.8955 56.7022 42.2424 177.0768 205 A 4.2418 7.3244 121.1934 52.0290 18.9587 177.1477 206 N 4.6067 8.6337 118.5752 55.7111 39.4118 176.2318 207 V 4.4733 7.6349 117.2473 60.8391 35.4764 173.9535 208 K 4.8880 8.7118 127.8945 54.6339 34.3134 174.8024 209 L 4.9749 8.7903 127.8576 52.9093 44.1188 178.1172 210 S 4.1283 9.0669 117.3570 60.8583 63.7362 174.2544 211 S 4.6082 7.4384 113.2767 56.6926 65.1891 174.5927 212 L 4.2350 8.4824 124.2697 57.1102 41.6424 179.6153 213 T 3.9500 7.6766 108.7193 64.3147 68.6921 175.2252 214 E 4.1710 7.8555 119.8998 56.8837 29.8911 176.7381 215 L 4.1082 7.5271 122.1234 55.4625 42.5395 176.5475 216 T 4.7156 8.6549 115.2094 59.1773 73.0750 174.9786 217 A 3.9733 8.3850 122.6040 55.2603 18.3093 179.8221 218 K 3.9232 7.9953 117.6210 59.5989 32.0664 178.6442 219 D 4.3210 7.6661 118.5988 57.2202 40.8122 178.4981 220 L 4.0656 7.4471 118.3249 57.7581 41.8092 179.0198 221 L 4.3024 7.8926 116.6491 54.5660 42.0841 177.1003 222 G 4.0628 8.1368 112.1544 45.7508 0.0000 173.0944 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 5 R 8.25 4.18 0.00 1.75 1.93 0.00 3.28 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 6 Q 8.36 4.15 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.47 6.86 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 7 I 9.05 4.61 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.13 0.91 0.00 0.00 8 L 9.04 4.79 0.00 1.53 1.67 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.85 5.24 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 10 A 9.07 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.65 4.98 2.10 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 1.36 0.90 1.17 0.00 0.00 12 F 9.67 4.86 0.00 3.20 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 13 D 8.89 5.20 0.00 3.13 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 *15 D 7.99 4.65 0.00 2.77 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 16 G 9.27 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 0.00 0.00 0.00 0.00 17 L 7.78 4.58 0.00 1.80 1.89 1.27 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.48 4.46 0.00 1.66 1.59 0.84 0.56 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 19 I 7.54 4.94 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.90 0.00 0.00 20 D 8.83 4.92 0.00 2.65 2.67 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 21 S 7.96 4.62 0.00 4.25 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.36 4.21 0.00 2.09 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 0.00 2.50 2.39 0.00 23 P 0.00 4.41 0.00 2.30 2.36 0.00 3.78 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 2.12 2.10 0.00 24 L 7.81 3.95 0.00 1.75 1.62 0.89 0.97 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 25 W 8.72 4.20 0.00 3.53 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 26 D 8.40 4.48 0.00 3.00 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 27 R 8.06 3.88 0.00 1.95 2.08 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 28 A 8.24 3.92 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 29 E 8.23 3.84 0.00 2.13 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 0.00 2.36 2.44 0.00 30 L 7.99 3.96 0.00 1.67 1.93 0.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.10 4.48 0.00 2.72 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 32 V 7.48 3.47 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 0.82 0.00 0.00 0.89 0.00 0.00 *34 A 7.98 4.14 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.69 4.11 0.00 3.94 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 36 L 7.21 4.05 0.00 1.23 1.42 -0.44 0.65 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 0.00 0.00 0.00 113 L 9.04 5.65 0.00 1.71 1.47 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.94 5.08 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.94 4.69 0.00 3.84 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 A 8.64 4.07 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 0.00 117 S 7.74 4.45 0.00 3.96 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 0.00 118 P 0.00 4.37 0.00 1.72 2.27 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.22 0.00 119 L 8.75 4.08 0.00 1.72 1.69 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 120 H 8.06 4.49 0.00 3.33 3.51 0.00 5.54 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *122 L 8.12 4.23 0.00 1.84 1.72 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.26 3.96 0.00 2.13 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 2.44 2.47 0.00 124 K 7.66 3.89 0.00 1.88 1.81 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.39 7.81 125 V 7.65 3.75 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 1.14 0.00 0.00 0.98 0.00 0.00 126 L 7.86 4.21 0.00 1.68 1.71 0.45 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.83 4.28 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 1.19 0.00 0.00 *129 F 7.85 4.73 0.00 3.08 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 0.00 130 D 7.59 4.44 0.00 2.77 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 0.00 131 L 8.13 4.72 0.00 1.89 1.91 0.94 0.95 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 0.00 132 R 8.09 4.01 0.00 1.91 1.96 0.00 3.26 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 133 D 8.17 4.46 0.00 2.85 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 0.00 134 S 7.91 4.17 0.00 3.97 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 0.00 135 F 7.86 4.58 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 0.00 136 D 9.17 4.74 0.00 2.67 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 0.00 137 A 7.93 4.77 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 0.00 138 L 8.64 5.32 0.00 1.51 1.54 0.95 0.70 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 0.00 139 A 9.22 4.64 1.17 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 0.00 0.00 140 S 8.79 5.13 0.00 3.87 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 0.00 141 A 8.91 4.41 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 0.00 142 E 8.15 3.88 0.00 1.96 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 2.32 0.00 143 K 7.84 4.27 0.00 1.78 1.82 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 144 L 7.39 4.33 0.00 1.63 1.57 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 145 P 0.00 4.17 0.00 2.00 1.92 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 146 Y 7.46 4.60 0.00 2.69 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 0.00 147 S 8.43 4.59 0.00 3.84 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 0.00 148 K 8.80 4.38 0.00 1.81 2.00 0.00 1.89 0.00 0.00 2.58 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.42 7.81 149 P 0.00 4.80 0.00 2.22 2.35 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 150 H 8.43 4.27 0.00 3.25 3.50 0.00 5.58 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 0.00 151 P 0.00 4.86 0.00 2.36 2.43 0.00 3.41 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 2.02 1.96 0.00 152 Q 8.47 4.06 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 153 V 7.83 3.62 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 0.61 0.00 0.00 0.82 0.00 0.00 154 Y 7.93 4.14 0.00 3.31 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 0.00 155 L 8.32 4.12 0.00 1.90 1.76 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 156 D 8.63 4.41 0.00 2.84 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 C 8.23 4.11 0.00 3.14 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.20 4.06 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 0.00 159 A 7.90 3.98 1.39 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 0.00 0.00 0.00 160 K 8.09 4.12 0.00 1.94 1.92 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.64 7.81 161 L 8.26 4.24 0.00 1.81 1.77 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 162 G 8.29 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 0.00 163 V 7.29 4.52 2.09 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 0.76 0.00 0.00 0.95 0.00 0.00 164 D 8.47 4.45 0.00 2.68 2.54 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 P 0.00 4.26 0.00 2.45 2.34 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 166 L 8.24 4.17 0.00 1.80 1.77 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.01 4.64 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 1.23 0.00 0.00 168 C 7.87 5.37 0.00 2.98 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 0.00 169 V 8.56 4.55 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 0.78 0.00 0.00 0.84 0.00 0.00 170 A 8.91 5.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 L 8.68 5.03 0.00 1.32 1.51 0.19 0.81 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 0.00 172 E 9.21 5.25 0.00 1.89 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 2.38 2.56 0.00 173 D 9.19 5.33 0.00 2.82 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 0.00 174 S 7.99 5.16 0.00 4.02 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 0.00 175 V 8.50 3.59 1.89 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 0.66 0.00 0.00 0.15 0.00 0.00 176 N 8.37 4.49 0.00 2.92 2.87 0.00 0.00 7.01 7.64 0.00 0.00 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 G 8.16 4.55 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 0.00 0.00 0.00 *179 I 7.95 4.00 2.00 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 1.31 0.65 0.89 0.00 0.00 180 A 8.30 4.40 1.60 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 0.00 181 S 7.71 3.51 0.00 3.41 3.14 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 0.00 182 K 7.90 4.05 0.00 1.75 1.85 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.47 1.42 7.81 183 A 8.46 4.07 1.31 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 0.00 184 A 7.46 4.30 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 0.00 185 R 7.28 3.47 0.00 2.00 2.02 0.00 3.18 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 *187 R 7.47 4.24 0.00 1.87 1.88 0.00 3.08 0.00 0.00 3.32 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 188 S 9.20 5.03 0.00 3.80 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 0.00 189 I 8.62 5.02 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.47 0.90 0.00 0.00 190 V 8.74 4.75 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 0.80 0.00 0.00 0.65 0.00 0.00 191 V 8.55 4.50 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 1.23 0.00 0.00 0.91 0.00 0.00 192 P 0.00 4.42 0.00 1.80 1.54 0.00 3.64 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.00 193 A 8.76 4.19 1.39 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 0.00 0.00 0.00 194 P 0.00 4.51 0.00 2.20 2.16 0.00 3.93 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 195 E 8.29 4.01 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 196 A 7.94 4.52 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 Q 7.38 4.16 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 5.86 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 198 N 9.05 4.41 0.00 2.93 3.00 0.00 0.00 6.94 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 0.00 199 D 8.21 4.43 0.00 2.84 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 0.00 200 P 0.00 4.41 0.00 2.28 2.30 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 201 R 8.12 4.06 0.00 1.70 1.84 0.00 3.02 0.00 0.00 3.08 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 202 F 7.85 4.68 0.00 3.23 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 0.00 203 V 7.51 3.73 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.94 0.00 0.00 204 L 7.66 4.05 0.00 1.61 1.86 0.90 1.47 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 0.00 205 A 7.32 4.24 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 0.00 206 N 8.63 4.61 0.00 2.73 2.87 0.00 0.00 6.63 7.11 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 0.00 207 V 7.63 4.47 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 1.08 0.00 0.00 0.95 0.00 0.00 208 K 8.71 4.89 0.00 1.71 1.61 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.21 1.23 7.81 209 L 8.79 4.97 0.00 1.53 1.65 0.90 0.63 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 0.00 210 S 9.07 4.13 0.00 3.97 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 0.00 211 S 7.44 4.61 0.00 3.82 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 0.00 212 L 8.48 4.23 0.00 1.97 1.75 1.11 0.72 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 0.00 213 T 7.68 3.95 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 1.23 0.00 0.00 214 E 7.86 4.17 0.00 2.13 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 2.33 2.23 0.00 215 L 7.53 4.11 0.00 1.70 1.69 0.90 0.94 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 0.00 216 T 8.65 4.72 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 1.27 0.00 0.00 217 A 8.39 3.97 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 0.00 218 K 8.00 3.92 0.00 1.87 1.81 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.58 7.81 219 D 7.67 4.32 0.00 2.77 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 0.00 220 L 7.45 4.07 0.00 1.70 1.69 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 221 L 7.89 4.30 0.00 1.61 1.70 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 222 G 8.14 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.