NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.8644 8.2985 120.6595 56.1306 31.0497 171.2330 4 A 4.4952 8.3366 127.1007 50.9234 19.6501 174.9075 5 Q 4.5347 9.4459 120.4435 53.8967 34.0313 172.4523 6 L 4.8567 8.5238 124.5496 54.5023 43.0694 175.9684 7 R 4.8025 9.0941 125.1928 54.3074 34.3265 174.3942 8 R 4.2490 8.6553 123.6157 55.5274 30.8618 175.8637 9 V 4.0857 8.4418 128.0569 62.7706 32.6602 175.3633 10 T 4.5621 8.7606 117.0607 59.2921 71.3676 175.0527 11 A 4.0306 8.4895 122.9412 55.4166 18.2583 179.3389 12 E 4.1242 8.1614 116.1642 58.8510 30.1259 178.4883 13 S 4.5092 8.2278 112.4449 58.5562 63.5610 175.6935 14 F 3.9731 8.1117 125.0869 61.8001 39.1319 176.4411 15 A 3.9903 8.3631 119.5943 55.8610 17.7577 178.9180 16 H 3.9968 7.9010 115.1782 58.4462 30.1207 176.0235 17 Y 4.5278 7.4801 116.8781 57.5316 38.6091 177.2809 18 R 3.6434 7.0728 120.3730 59.9575 30.0875 177.8885 19 H 4.5575 8.1840 115.1509 59.0119 28.8009 177.9514 20 G 3.6899 8.1135 107.0243 47.7357 0.0000 175.6082 21 L 4.1159 8.4750 121.5350 57.6093 41.6263 179.4299 22 A 4.0530 8.0514 120.8103 55.2150 18.2020 179.7586 23 Q 3.8963 8.1126 116.6636 58.8059 28.7005 178.5755 24 L 3.9292 8.1329 121.5180 58.0385 42.0752 178.7742 25 L 3.6308 7.8370 120.1670 57.9546 41.9099 178.5898 26 F 3.8919 8.1997 120.4926 61.5326 39.3833 176.9953 27 E 4.0067 8.8925 118.4035 59.6426 29.2875 179.6114 28 T 3.8390 8.0486 116.0721 66.4267 68.4856 177.1501 29 V 3.6093 7.8813 120.5727 66.2578 31.4145 177.4843 30 H 4.3638 7.8069 113.4722 57.1314 28.7016 176.8746 31 G 3.8318 7.4480 106.2999 44.9368 0.0000 174.4697 32 G 3.9311 7.9653 109.0850 44.8724 0.0000 173.9045 33 A 4.1489 7.4333 122.1322 51.6732 19.4779 178.3725 34 S 4.5857 8.3620 117.4533 57.5726 62.0279 175.0405 35 V 4.7511 8.1458 122.3897 61.0544 32.5277 177.3183 36 G 3.7294 8.9093 108.8850 44.9981 0.0000 174.4199 37 F 4.6101 7.3048 118.2622 56.4872 40.8812 175.1062 *39 A 4.1825 8.5716 125.8929 52.7790 20.1010 176.7631 40 D 4.7075 7.9873 114.2986 52.7698 39.7750 176.1810 41 L 4.3675 7.8263 122.7955 55.6929 44.0412 174.7279 42 D 4.9199 8.6472 123.1238 53.7669 39.4882 177.3966 *44 Q 4.3745 9.1363 118.5307 56.0422 30.9003 175.9602 45 Q 4.1041 8.8651 118.4804 58.9770 28.9861 177.9556 46 A 3.8463 7.9706 121.9550 55.3299 18.3170 179.2761 47 Y 4.1779 7.9563 114.5678 60.9474 38.1195 178.2211 48 A 4.1009 8.2955 122.0465 54.7942 18.2669 179.4524 49 W 4.2477 8.1853 125.8794 60.8741 31.1372 177.4762 50 C 3.8609 8.3854 116.6038 63.2153 27.4755 176.1542 51 D 4.4779 8.6103 120.2957 57.1105 39.9717 179.1649 52 G 3.6330 7.8755 106.2641 47.4583 0.0000 175.8525 53 L 3.7720 7.3976 121.2871 57.3401 41.5065 179.1343 54 K 2.9939 7.3494 118.7752 59.3291 31.7755 178.2435 55 A 3.8560 7.2921 119.2068 55.4159 18.2626 179.4435 56 D 4.2427 7.6653 116.9884 57.2495 40.7275 179.1878 57 I 3.9222 8.1723 121.8755 63.8580 36.9293 178.1763 58 A 3.9055 7.8540 120.1891 55.1330 18.3014 179.0097 59 A 4.1341 7.9106 116.8547 52.6808 18.5559 178.6165 60 G 3.8788 7.9996 105.7832 45.4757 0.0000 174.5426 61 S 4.5028 7.7496 114.5424 58.7914 64.9903 173.4622 62 L 5.1733 7.8065 122.8946 53.0399 44.6221 174.9456 63 L 4.5537 8.8688 126.0063 52.7247 44.4603 175.1676 64 L 5.2464 7.7072 124.0959 53.0971 45.6964 174.9757 65 W 5.5236 9.4812 124.2170 55.2305 33.7579 174.5083 66 V 4.9277 8.8336 113.9951 59.8543 36.3231 174.5094 67 V 4.7778 8.6911 122.2657 61.3258 33.4827 174.4344 68 A 5.1782 9.2957 129.1145 50.4479 23.4172 174.5469 69 E 4.8719 9.0354 119.5927 54.4173 30.8096 178.6430 70 D 4.4679 8.9819 128.9450 55.4426 40.6325 174.1661 71 D 4.6260 6.4780 114.0023 52.7288 40.1102 175.7271 72 N 4.4827 8.3477 120.7701 53.0060 38.9664 173.7917 73 V 4.4356 8.2730 126.8220 62.0173 31.6933 175.4010 74 L 4.3972 9.1475 129.5191 57.1178 43.0222 176.5482 75 A 4.7616 7.7381 118.0522 51.6829 22.6606 174.8299 76 S 5.1275 8.3345 111.7541 57.8109 66.1788 172.7290 77 A 5.2032 9.0132 124.1761 50.9665 22.9821 175.3053 78 Q 5.3823 9.1684 118.2046 54.1107 33.5900 174.4262 79 L 5.1797 9.2545 123.5987 53.5765 45.3687 175.1851 80 S 5.0164 9.3397 122.9507 56.8340 63.5659 172.9704 81 L 4.5550 8.8491 129.2936 54.3339 42.0366 176.8959 82 C 4.3122 8.5197 125.4642 59.6944 31.8855 173.3331 83 Q 4.5544 8.6721 123.2299 55.4170 29.5529 175.9998 84 K 4.1625 7.7958 119.1230 55.5795 32.7369 175.9910 85 P 4.2778 0.0000 0.0000 65.3677 31.3221 176.8146 86 N 4.7981 8.1753 112.1996 52.5419 37.7864 175.1227 87 G 4.1331 8.2809 107.5208 45.6522 0.0000 175.2806 88 L 4.1736 7.9752 119.5687 56.4264 41.8044 177.3594 89 N 4.7492 8.1292 117.3085 54.5874 40.0290 174.1652 90 R 5.4354 8.2175 114.3656 55.0061 33.4288 174.3761 91 A 4.9362 8.8279 119.8879 50.7654 23.3758 174.5974 92 E 4.8264 9.2202 121.9195 54.4128 31.9508 175.0341 93 V 4.6851 8.4564 127.7537 62.3795 32.6686 174.9142 94 Q 4.5898 9.0955 124.3627 54.6214 32.7461 173.9803 95 K 3.7474 8.6878 115.6245 57.3237 29.8457 175.6263 96 L 4.7723 7.7504 117.5085 53.9323 43.0551 175.7347 *98 V 3.9052 7.9803 122.2471 62.1714 32.5823 175.2597 99 L 4.0373 8.5599 127.0946 54.6041 41.9834 176.3859 100 P 4.2506 0.0000 0.0000 65.8793 31.3622 178.6589 101 S 4.1637 8.0814 110.0839 60.0029 63.1364 174.3362 102 A 4.5811 8.0300 122.8932 51.7984 19.3249 176.8437 103 R 4.0466 7.4960 115.4568 57.1442 30.6962 176.6473 104 G 3.9009 8.6730 106.3609 46.6834 0.0000 174.5200 105 R 4.3702 8.2540 115.4466 55.4339 31.2311 176.9301 106 G 4.0094 8.2182 107.0181 45.5077 0.0000 175.5339 107 L 4.0899 7.9077 120.8894 57.5079 41.4037 179.4036 108 G 3.4624 7.9091 104.2859 47.8048 0.0000 175.2140 109 R 4.0844 8.1078 119.8064 59.0581 30.4927 177.8543 110 Q 4.1416 8.2350 119.3623 59.0418 28.9408 178.9087 111 L 4.0033 7.8456 116.5418 55.6713 41.4307 178.6131 *113 D 4.5045 8.0492 121.3363 54.4271 42.9484 177.6516 114 E 3.8444 7.8418 118.8115 58.9836 29.4291 178.8496 115 V 2.7987 7.5372 118.6748 65.8855 31.5061 177.9480 116 E 3.9977 7.9776 117.7552 59.3634 29.3025 179.1714 117 Q 4.0008 7.9254 118.1723 59.0255 28.9083 178.9835 118 V 3.7991 8.2278 119.2667 65.7449 31.6042 177.9061 119 A 4.1313 8.4090 121.0282 55.2328 18.2310 179.7881 120 V 3.6302 7.8947 116.6955 66.0636 31.3699 178.4365 121 K 4.1763 7.8391 117.0256 58.8048 31.8203 177.8176 122 H 4.7362 7.8265 114.7623 54.4648 29.6841 175.0115 123 K 3.8557 7.7176 118.0446 57.6072 30.1238 175.3885 124 R 4.6967 8.0909 116.2545 54.8051 31.9782 177.0455 125 G 4.1014 9.0284 108.8675 46.0516 0.0000 172.6105 126 L 5.3782 7.8373 122.6647 53.2523 45.4404 174.7858 127 L 5.5682 9.0634 126.2660 53.4067 44.6639 175.2133 128 H 5.7109 8.7594 117.3144 54.5555 32.8434 171.6332 129 L 4.8479 8.6232 118.4358 55.5028 43.9777 172.7603 130 D 5.2849 8.4676 117.5414 52.2588 42.4367 174.5584 131 T 4.7399 8.9746 114.2444 60.0463 71.9480 172.3499 132 E 4.2157 9.0597 126.4411 56.6108 30.5061 176.2677 133 A 4.4276 8.6562 130.7095 53.7274 18.8792 177.7687 134 G 3.9682 9.8147 111.9970 45.1691 0.0000 173.9708 135 S 4.4735 7.7269 114.5792 57.2356 64.3334 175.4249 136 V 3.5927 8.3277 119.5499 66.0673 30.9873 177.6853 137 A 3.8723 7.5643 120.2520 54.9716 18.0727 179.4817 138 E 3.8975 8.2200 117.0723 59.6715 29.5114 179.4139 139 A 4.0384 7.9754 120.3076 54.8413 18.5750 179.2144 140 F 3.8989 8.2196 119.2020 61.8514 39.4912 177.1169 141 Y 3.7601 8.0425 116.6092 60.8795 37.4968 178.6487 142 S 4.2502 8.1752 116.0601 61.6223 62.7409 176.6165 143 A 4.0779 8.0564 122.5790 54.3774 18.0473 178.5098 144 L 4.2681 7.1740 115.6201 54.2442 41.7954 176.7014 145 A 3.7075 7.6105 119.8959 53.2549 16.4895 178.1438 146 Y 4.1203 8.1105 115.9846 59.4306 39.1768 175.3754 147 T 4.3633 8.3676 119.9556 62.1679 70.5240 173.9003 148 R 3.6860 8.2892 126.7895 55.8816 30.3482 175.9940 149 V 3.8468 9.2169 127.6783 63.9264 32.4529 176.3420 150 G 3.8607 6.6947 105.5552 45.6008 0.0000 170.0836 151 E 5.2017 8.1217 117.8925 54.4657 32.9081 175.8705 152 L 4.8275 8.4478 122.2197 52.1826 43.5059 174.5213 153 P 4.5622 0.0000 0.0000 62.9752 32.9496 176.5593 154 G 3.9259 8.7709 108.5578 46.9704 0.0000 174.8129 155 Y 4.1538 7.7653 118.7150 59.6331 39.2894 175.3465 156 C 4.8452 8.1986 112.8136 56.0809 32.7687 172.3309 157 A 4.9763 8.2408 124.0056 50.4786 20.4358 177.3994 158 T 4.4681 8.3757 112.5818 60.0544 69.6392 173.6634 159 P 4.1956 0.0000 0.0000 65.8539 31.2738 177.3382 160 D 4.4527 7.9275 114.3347 53.8608 39.5451 176.9166 161 G 3.9172 8.6980 109.1886 45.0966 0.0000 173.5671 162 R 4.3101 8.2245 120.1393 55.0287 31.4604 175.9748 163 L 4.6406 8.5214 124.6771 55.2991 42.4621 176.1240 164 H 5.1906 9.5695 120.2227 53.4427 33.7474 171.1977 165 P 5.0545 0.0000 0.0000 62.7211 32.9883 175.1718 166 T 4.9504 8.6271 115.8387 60.3474 70.4270 172.5632 167 A 5.0561 9.2112 128.7608 50.3148 21.7182 175.5542 168 I 4.7546 8.5160 123.7439 60.2098 39.2577 174.6989 169 Y 5.4226 9.1363 123.9045 56.4021 42.4144 174.2995 170 F 5.6582 8.8478 115.4478 55.8811 42.3657 173.0507 171 K 4.5395 9.3852 120.3207 55.2258 35.6631 174.7638 172 T 4.8233 8.5951 124.1549 62.5959 69.6093 174.7650 173 L 4.2673 8.7380 126.3776 54.9187 41.4087 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 3 H 8.30 4.86 0.00 3.25 3.33 0.00 5.65 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 4 A 8.34 4.50 1.24 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 0.00 0.00 0.00 5 Q 9.45 4.53 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 6 L 8.52 4.86 0.00 1.64 1.60 1.02 0.82 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 7 R 9.09 4.80 0.00 1.59 1.78 0.00 3.39 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 8 R 8.66 4.25 0.00 1.77 1.82 0.00 2.21 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.42 0.00 9 V 8.44 4.09 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 1.02 0.00 0.00 0.71 0.00 0.00 10 T 8.76 4.56 4.35 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 0.00 0.00 1.21 0.00 0.00 11 A 8.49 4.03 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 12 E 8.16 4.12 0.00 1.95 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 2.32 2.43 0.00 13 S 8.23 4.51 0.00 4.15 4.16 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 14 F 8.11 3.97 0.00 3.41 3.15 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 0.00 15 A 8.36 3.99 1.35 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 0.00 0.00 0.00 0.00 0.00 16 H 7.90 4.00 0.00 2.89 2.89 0.00 5.92 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 17 Y 7.48 4.53 0.00 2.82 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 18 R 7.07 3.64 0.00 1.85 1.96 0.00 3.32 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 1.82 1.90 0.00 19 H 8.18 4.56 0.00 3.27 3.38 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.11 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.47 4.12 0.00 1.82 1.91 0.68 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.05 4.05 0.72 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 0.00 0.00 23 Q 8.11 3.90 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 24 L 8.13 3.93 0.00 1.87 1.92 0.91 0.45 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 25 L 7.84 3.63 0.00 1.14 1.52 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.20 3.89 0.00 3.19 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 27 E 8.89 4.01 0.00 1.98 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 2.65 2.55 0.00 28 T 8.05 3.84 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 1.13 0.00 0.00 29 V 7.88 3.61 1.69 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 0.80 0.00 0.00 0.84 0.00 0.00 30 H 7.81 4.36 0.00 2.94 3.13 0.00 5.70 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 31 G 7.45 3.83 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 0.00 0.00 0.00 32 G 7.97 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 0.00 0.00 0.00 33 A 7.43 4.15 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 34 S 8.36 4.59 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.15 4.75 2.05 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 0.70 0.00 0.00 0.88 0.00 0.00 36 G 8.91 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 0.00 0.00 0.00 37 F 7.30 4.61 0.00 2.88 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 *39 A 8.57 4.18 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 40 D 7.99 4.71 0.00 2.83 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 41 L 7.83 4.37 0.00 1.54 1.41 0.64 0.83 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 42 D 8.65 4.92 0.00 3.01 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 0.00 0.00 0.00 *44 Q 9.14 4.37 0.00 2.22 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.58 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 45 Q 8.87 4.10 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 46 A 7.97 3.85 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 47 Y 7.96 4.18 0.00 3.32 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 48 A 8.30 4.10 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 49 W 8.19 4.25 0.00 3.38 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.39 3.86 0.00 3.44 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 51 D 8.61 4.48 0.00 2.71 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 52 G 7.88 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 53 L 7.40 3.77 0.00 1.54 1.51 0.15 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.35 2.99 0.00 0.79 1.59 0.00 1.13 0.00 0.00 1.42 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.26 1.32 7.81 55 A 7.29 3.86 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 56 D 7.67 4.24 0.00 2.81 2.68 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 57 I 8.17 3.92 1.84 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 1.43 1.55 0.83 0.00 0.00 58 A 7.85 3.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.91 4.13 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 60 G 8.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 7.75 4.50 0.00 3.91 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.81 5.17 0.00 1.71 1.37 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.87 4.55 0.00 1.36 0.81 0.84 0.14 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 64 L 7.71 5.25 0.00 1.67 1.35 1.05 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 65 W 9.48 5.52 0.00 3.28 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 66 V 8.83 4.93 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 0.54 0.00 0.00 0.26 0.00 0.00 67 V 8.69 4.78 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 1.02 0.00 0.00 0.92 0.00 0.00 68 A 9.30 5.18 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 69 E 9.04 4.87 0.00 1.92 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 2.23 2.07 0.00 70 D 8.98 4.47 0.00 2.85 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 0.00 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 1.22 0.00 0.00 0.00 0.00 0.00 0.00 80 S 9.34 5.02 0.00 3.94 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 81 L 8.85 4.55 0.00 1.61 1.62 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 82 C 8.52 4.31 0.00 2.99 3.15 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 0.00 83 Q 8.67 4.55 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 84 K 7.80 4.16 0.00 1.83 1.74 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.48 7.81 85 P 0.00 4.28 0.00 2.04 2.14 0.00 3.66 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 2.04 2.10 0.00 86 N 8.18 4.80 0.00 2.82 2.90 0.00 0.00 5.76 7.00 0.00 0.00 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 G 8.28 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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131 T 8.97 4.74 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 132 E 9.06 4.22 0.00 2.14 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 2.44 2.44 0.00 133 A 8.66 4.43 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 0.00 134 G 9.81 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 S 7.73 4.47 0.00 4.06 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 0.00 136 V 8.33 3.59 2.02 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 0.99 0.00 0.00 0.91 0.00 0.00 137 A 7.56 3.87 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 0.00 138 E 8.22 3.90 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 139 A 7.98 4.04 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 0.00 140 F 8.22 3.90 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 8.04 3.76 0.00 2.29 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 0.00 0.00 0.00 0.00 142 S 8.18 4.25 0.00 4.12 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.06 4.08 1.24 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 0.00 0.00 0.00 144 L 7.17 4.27 0.00 1.68 1.80 0.35 -0.01 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 0.00 145 A 7.61 3.71 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 0.00 146 Y 8.11 4.12 0.00 3.07 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 0.00 147 T 8.37 4.36 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 1.10 0.00 0.00 148 R 8.29 3.69 0.00 1.39 1.59 0.00 3.11 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 1.24 0.67 0.00 149 V 9.22 3.85 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 0.78 0.00 0.00 1.17 0.00 0.00 150 G 6.69 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 E 8.12 5.20 0.00 1.81 1.82 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 0.00 2.18 2.26 0.00 152 L 8.45 4.83 0.00 1.50 1.68 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.56 0.00 2.14 2.19 0.00 3.88 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 2.10 1.99 0.00 154 G 8.77 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 0.00 0.00 0.00 155 Y 7.77 4.15 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 C 8.20 4.85 0.00 3.17 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 0.00 157 A 8.24 4.98 1.21 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 0.00 0.00 0.00 158 T 8.38 4.47 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 159 P 0.00 4.20 0.00 2.00 2.10 0.00 3.63 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 2.01 2.08 0.00 160 D 7.93 4.45 0.00 2.76 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 0.00 161 G 8.70 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.22 4.31 0.00 1.83 1.77 0.00 3.15 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 163 L 8.52 4.64 0.00 1.54 1.64 0.92 1.04 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 0.00 164 H 9.57 5.19 0.00 3.00 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.72 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 5.05 0.00 2.08 2.03 0.00 3.54 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 2.10 2.10 0.00 166 T 8.63 4.95 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 0.34 0.00 0.00 167 A 9.21 5.06 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 0.00 168 I 8.52 4.75 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.75 1.00 0.00 0.00 169 Y 9.14 5.42 0.00 2.74 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 F 8.85 5.66 0.00 3.31 3.18 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 0.00 171 K 9.39 4.54 0.00 0.79 1.09 0.00 1.21 0.00 0.00 1.40 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.02 7.81 172 T 8.60 4.82 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 1.24 0.00 0.00 173 L 8.74 4.27 0.00 1.51 1.58 0.96 0.76 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 * Residues marked with a * may have inaccurate shift predictions.