NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7793 8.3001 118.3437 55.7939 32.9711 173.5461 2 A 4.5565 8.8235 120.1977 50.8092 23.5431 173.4033 3 L 5.1646 8.6407 118.6710 53.3058 44.6651 174.4639 4 V 4.9341 8.9262 123.0829 61.1085 34.6693 173.8491 5 F 5.2254 9.4641 131.1810 57.3528 40.1194 175.0412 6 V 4.4394 8.6163 120.6147 59.7620 33.6979 176.1949 7 Y 4.7012 7.7823 119.5758 56.0295 40.7150 175.9893 8 G 3.6872 6.5722 109.9909 45.6092 0.0000 176.2544 9 T 4.0221 7.9259 115.3931 63.0792 68.8085 175.7456 10 L 4.0415 7.4253 121.8179 55.9484 42.4679 177.0609 11 K 4.4367 7.6154 118.3725 55.7736 32.5890 176.4975 12 R 3.5827 8.6356 120.4121 58.3197 30.2562 177.7087 13 G 3.9062 8.8519 110.5445 45.3476 0.0000 173.1672 14 Q 4.5757 7.7345 118.6958 53.5723 30.5578 175.0561 15 P 4.3685 0.0000 0.0000 65.1209 31.7711 177.3861 16 N 4.9264 8.2247 114.6099 53.2260 39.0184 176.0417 17 H 4.2322 8.4359 122.8823 58.5967 29.6462 177.2153 18 R 3.8532 8.0781 117.5532 59.6028 28.5360 178.9297 19 V 3.4814 7.5641 112.1495 63.5264 31.2068 178.2468 20 L 3.6619 7.4702 118.0973 56.4080 41.4554 177.7735 21 R 4.2586 7.4112 115.5473 55.7346 30.8487 176.3397 22 D 4.4977 7.4194 119.1161 53.0360 41.3050 176.7047 23 G 3.6318 8.3792 114.1950 45.7333 0.0000 173.0542 24 A 4.0397 7.9262 122.4802 54.6021 18.7404 178.2235 25 H 4.5568 7.9624 113.6719 57.1697 29.3202 174.6970 26 G 4.1143 8.3424 107.1890 43.6044 0.0000 172.2436 27 S 4.9064 8.8632 112.8826 56.5239 66.3970 173.3518 28 A 5.2294 8.5225 122.5171 50.4374 22.0149 175.0203 29 A 4.8311 9.2136 124.6679 49.5853 21.9988 175.2425 30 F 3.6207 9.2472 125.6081 59.0071 39.4631 174.2132 31 R 4.2888 7.6533 124.5415 57.2139 31.8149 176.2236 32 A 4.1556 5.8664 116.8694 50.5021 22.5895 175.4023 33 R 4.4220 8.5534 120.6202 56.5448 31.5884 175.6339 34 G 4.7679 9.3035 111.7340 44.9366 0.0000 171.0555 35 R 5.3991 8.8498 119.6537 54.2899 33.6517 174.4641 36 T 3.9421 8.7338 117.0732 62.1407 68.6977 174.5558 37 L 4.1338 8.4068 123.8302 56.9111 42.0754 177.1830 38 E 4.8834 7.8598 116.4056 53.6617 32.0079 174.4593 39 P 4.7865 0.0000 0.0000 63.1199 33.2843 174.5887 40 Y 5.0956 8.7114 117.7552 54.5265 42.9716 172.7040 41 P 4.4947 0.0000 0.0000 62.1995 32.8867 174.8944 42 L 5.0702 8.6334 127.0477 53.4723 44.2490 175.3059 43 V 5.0341 8.7394 119.1749 59.6751 36.0603 174.7159 44 I 4.8325 8.3480 123.6602 60.0252 38.0997 174.9886 45 A 4.2048 8.7344 128.0654 51.4059 22.4625 176.6458 46 G 4.1437 8.6438 104.7537 45.1547 0.0000 174.6251 47 E 4.0520 8.5958 117.3940 58.9204 29.6828 177.9392 48 H 4.7415 8.1853 113.7643 54.1931 29.4360 174.5401 49 N 4.4641 8.0109 116.1292 54.2488 36.7544 174.5744 50 I 4.0171 7.5377 117.5579 60.4288 38.8123 174.3089 51 P 4.7915 0.0000 0.0000 62.0073 32.6538 175.3526 52 W 5.1365 9.1886 123.0186 54.8920 32.8314 174.4144 53 L 4.5867 9.0473 127.6679 53.9466 41.7729 175.3829 54 L 4.4341 8.6221 127.0629 54.5573 42.1583 178.0356 55 H 4.7768 9.0040 125.3913 54.4654 27.3879 175.3924 56 L 4.8964 7.2029 123.6130 52.3340 42.7608 175.3335 57 P 3.4501 0.0000 0.0000 64.2237 31.9330 177.2797 58 G 3.8904 9.4198 110.0783 45.1603 0.0000 172.6627 59 S 4.6800 7.4941 113.6475 57.3379 67.3466 175.2718 60 G 4.1539 8.9595 109.0165 45.8130 0.0000 175.0230 61 R 4.8290 8.8810 122.4929 53.8310 34.9594 173.5658 62 L 4.5037 8.6121 121.0739 55.0720 42.4784 176.6481 63 V 4.6211 8.6947 123.6997 61.3190 33.4855 174.7313 64 E 4.8554 9.3509 128.3696 56.6962 30.6591 176.9942 65 G 3.8242 8.6530 107.6344 46.2957 0.0000 171.4633 66 E 5.2510 8.2618 118.9376 54.6311 34.0749 175.0316 67 V 4.7523 8.6905 124.3507 61.7553 33.3684 174.0367 68 Y 5.0433 9.0568 125.4111 56.0285 41.3011 174.5975 69 A 4.8835 9.0423 126.0419 51.3529 20.2100 176.7442 70 V 5.0585 8.9685 116.5977 59.5914 35.7614 175.7005 71 D 5.0608 8.5203 123.6533 52.5612 41.3178 177.2022 72 E 4.0487 8.7975 117.2111 59.2914 29.3180 179.7205 73 R 3.9491 8.1077 117.9547 59.5396 30.1561 178.5705 74 M 4.6091 8.4565 119.3049 58.0132 32.1749 177.9638 75 L 4.0237 8.1597 120.6043 58.3300 42.1566 179.2221 76 R 3.9274 8.2373 118.0658 58.9755 29.9265 178.7818 77 F 4.0441 8.3433 120.4844 61.3885 39.4399 177.2077 78 L 3.8342 8.3613 118.8994 57.7567 41.3054 179.1371 79 D 4.4475 8.3080 118.9471 57.7301 40.8173 178.7668 80 D 4.2473 7.7162 119.2734 57.0117 40.6009 178.4422 81 F 3.8699 7.8632 120.9028 60.6920 39.5528 176.0394 82 E 4.1317 7.9518 116.0326 54.7490 29.7335 176.2019 83 S 3.9979 7.8606 114.6445 59.6550 61.1640 172.1609 84 C 5.4013 8.4179 116.0527 58.4817 28.8647 172.4989 85 P 4.9762 0.0000 0.0000 62.6996 31.5284 176.4404 86 A 4.0852 8.0371 123.1689 54.7928 18.4289 178.0924 87 L 4.3774 8.0142 115.7899 56.3366 43.5328 175.7520 88 Y 5.1523 7.8697 114.6062 56.5709 41.1903 174.1103 89 Q 5.0251 9.4157 119.8737 54.1924 32.6294 175.1839 90 R 4.5692 8.7433 123.6441 55.9741 30.6089 175.1442 91 T 4.8742 8.8262 117.1840 60.0106 72.4282 173.0330 92 V 5.1147 8.2915 113.6768 59.8713 34.8363 175.1229 93 L 4.6106 8.6464 122.2406 55.1732 44.7049 173.8964 94 R 4.9697 8.4657 117.7449 54.4297 32.8758 175.4979 95 V 4.5339 8.3839 122.6189 60.8989 34.9741 174.0780 96 Q 4.6435 8.9861 129.2406 55.5711 30.2158 174.6848 97 L 4.6971 8.6909 127.7055 54.5281 42.6149 176.2915 98 L 4.6674 8.7962 126.7974 53.7404 43.3976 176.9727 99 E 4.5306 8.6372 120.1600 54.5259 31.2044 173.5531 100 D 4.4198 8.7015 119.8237 56.9480 41.1838 177.4934 101 R 4.6143 7.2005 114.1372 53.5668 33.4672 175.1734 102 A 4.1906 8.5948 124.7037 51.7516 19.4586 177.6047 103 P 4.4675 0.0000 0.0000 62.1120 32.1631 175.3060 *106 E 4.0006 8.5596 115.5288 56.5349 30.3508 175.4316 107 E 4.4204 8.4587 123.3706 54.1992 31.9388 173.1729 108 P 4.5318 0.0000 0.0000 61.1758 32.4638 174.5378 109 P 4.5307 0.0000 0.0000 62.0077 32.1626 175.8904 110 A 4.1230 8.2139 122.2088 51.1982 18.8890 176.0192 111 P 4.3754 0.0000 0.0000 63.6442 32.0352 176.1913 112 T 4.7413 8.4608 108.6668 61.2128 70.3547 172.6971 113 A 5.3687 7.8799 122.1538 50.8847 22.7248 176.1896 114 V 4.4308 8.4828 117.9573 60.2909 35.2169 173.4316 115 Q 4.5790 8.5572 124.9526 56.2227 29.8662 174.5618 116 C 4.9809 8.9142 122.7918 57.7890 33.1779 173.6065 117 F 5.2471 8.8705 120.0901 57.8512 40.0484 175.0230 118 V 4.7839 8.8157 119.5818 60.7341 35.2761 173.6233 119 Y 5.0682 8.7751 120.6663 57.2694 38.4106 174.8426 120 S 5.3030 9.3188 119.4257 56.4481 67.1638 172.9024 121 R 5.1220 9.1330 119.2992 54.9146 31.9932 175.5860 122 A 4.3838 9.3372 129.7315 53.5042 19.5679 177.1797 123 T 4.1607 7.6990 112.0751 61.5514 70.8873 173.1538 124 F 4.2437 7.1007 119.5870 54.2954 40.6653 172.1498 125 P 3.9569 0.0000 0.0000 62.4051 31.5963 175.9704 126 P 4.3433 0.0000 0.0000 65.5070 31.2812 178.4218 127 E 4.2234 8.2661 115.6237 58.6673 29.5517 178.8810 128 W 4.4105 8.7366 120.6332 59.8103 28.8487 177.8861 129 A 4.2136 8.2449 119.6100 54.2509 17.8924 178.4973 130 Q 4.4441 7.8304 114.5458 54.9518 29.5608 175.8256 131 L 4.2409 7.1263 120.2853 53.5272 42.3736 175.1105 132 P 4.2245 0.0000 0.0000 63.4902 31.6659 175.8907 133 H 5.0418 8.5615 119.7043 55.1009 29.9401 174.2937 134 H 4.9891 8.8681 121.6397 54.1561 30.8078 174.5698 135 D 4.7335 8.6570 122.0006 54.8211 40.3246 176.1773 136 S 4.7873 7.7893 113.4080 56.4398 64.3933 172.4072 137 Y 4.2755 8.6858 129.5354 57.3806 39.5218 174.3154 138 D 4.2257 7.5462 124.9835 52.2886 44.3897 175.4807 139 S 4.0105 8.8827 122.3261 61.2122 62.4626 175.0833 140 E 4.6342 8.0759 117.2087 56.0622 29.7152 176.2475 141 G 3.8059 7.5924 109.8549 44.0520 0.0000 173.5616 142 P 4.3413 0.0000 0.0000 64.8686 31.3714 178.0100 143 H 4.2019 7.8393 113.3115 56.6339 28.5454 176.7103 144 G 3.9314 7.8001 106.8890 45.5603 0.0000 174.4657 145 L 4.4497 7.7534 120.5681 53.1976 40.2594 175.6909 146 R 4.6774 7.8147 119.4211 55.0142 31.1313 176.3179 147 Y 4.3799 8.6847 124.1450 58.0008 39.5460 175.4494 148 N 4.4092 8.5421 125.4673 51.7056 40.9385 172.4729 149 P 4.3469 0.0000 0.0000 62.6748 31.7979 176.7029 150 R 4.0647 7.9362 115.9548 56.6598 29.9256 176.5646 151 E 4.2923 8.5380 117.4091 56.6456 29.8584 176.1109 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 1 M 8.30 4.78 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 2 A 8.82 4.56 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 3 L 8.64 5.16 0.00 1.58 1.60 0.93 0.66 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 4 V 8.93 4.93 2.24 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 1.18 0.00 0.00 1.10 0.00 0.00 5 F 9.46 5.23 0.00 2.98 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 6 V 8.62 4.44 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 0.65 0.00 0.00 1.01 0.00 0.00 7 Y 7.78 4.70 0.00 2.99 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 8 G 6.57 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 9 T 7.93 4.02 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 0.40 0.00 0.00 10 L 7.43 4.04 0.00 1.52 1.52 0.73 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.62 4.44 0.00 1.87 1.76 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 12 R 8.64 3.58 0.00 1.85 1.76 0.00 2.99 0.00 0.00 2.97 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 13 G 8.85 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 14 Q 7.73 4.58 0.00 2.32 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.69 0.00 15 P 0.00 4.37 0.00 2.14 2.30 0.00 3.63 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 2.20 2.21 0.00 16 N 8.22 4.93 0.00 2.86 2.87 0.00 0.00 6.47 8.33 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 17 H 8.44 4.23 0.00 3.42 3.29 0.00 5.85 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 18 R 8.08 3.85 0.00 2.10 2.17 0.00 3.13 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.31 0.00 19 V 7.56 3.48 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 0.35 0.00 0.00 20 L 7.47 3.66 0.00 1.34 1.40 0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.41 4.26 0.00 1.67 1.86 0.00 3.23 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.63 0.00 22 D 7.42 4.50 0.00 2.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.38 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 24 A 7.93 4.04 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 25 H 7.96 4.56 0.00 2.78 2.54 0.00 5.60 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 26 G 8.34 4.11 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 0.00 27 S 8.86 4.91 0.00 3.88 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 28 A 8.52 5.23 1.16 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 0.00 0.00 29 A 9.21 4.83 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 30 F 9.25 3.62 0.00 2.89 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 31 R 7.65 4.29 0.00 1.50 1.70 0.00 3.34 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 32 A 5.87 4.16 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.55 4.42 0.00 2.12 2.04 0.00 3.46 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 34 G 9.30 4.77 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 0.00 0.00 0.00 35 R 8.85 5.40 0.00 1.93 1.75 0.00 3.15 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 36 T 8.73 3.94 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 1.04 0.00 0.00 37 L 8.41 4.13 0.00 1.78 1.75 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.86 4.88 0.00 1.82 1.70 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 2.21 2.17 0.00 39 P 0.00 4.79 0.00 2.25 2.17 0.00 3.55 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 40 Y 8.71 5.10 0.00 2.75 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 41 P 0.00 4.49 0.00 2.01 1.74 0.00 3.78 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 42 L 8.63 5.07 0.00 1.70 1.76 0.94 1.07 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 43 V 8.74 5.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.01 0.00 0.00 44 I 8.35 4.83 1.85 0.00 0.00 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 1.31 0.41 0.93 0.00 0.00 45 A 8.73 4.20 -0.48 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 0.00 0.00 46 G 8.64 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 0.00 0.00 0.00 47 E 8.60 4.05 0.00 1.90 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 2.32 2.36 0.00 48 H 8.19 4.74 0.00 3.25 3.29 0.00 6.05 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 49 N 8.01 4.46 0.00 3.08 3.06 0.00 0.00 6.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.54 4.02 1.54 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 -0.55 0.00 0.00 51 P 0.00 4.79 0.00 1.68 1.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.00 52 W 9.19 5.14 0.00 3.25 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 53 L 9.05 4.59 0.00 0.61 1.43 0.53 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.62 4.43 0.00 1.47 1.18 0.53 0.64 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 55 H 9.00 4.78 0.00 3.36 3.45 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.20 4.90 0.00 1.71 1.56 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 3.45 0.00 1.82 1.18 0.00 3.67 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.78 0.00 58 G 9.42 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 59 S 7.49 4.68 0.00 3.91 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 60 G 8.96 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 0.00 0.00 0.00 0.00 61 R 8.88 4.83 0.00 1.80 1.81 0.00 3.28 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 62 L 8.61 4.50 0.00 1.58 1.66 0.94 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 63 V 8.69 4.62 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 1.21 0.00 0.00 1.05 0.00 0.00 64 E 9.35 4.86 0.00 1.98 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 0.00 2.60 2.49 0.00 65 G 8.65 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.26 5.25 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.34 0.00 67 V 8.69 4.75 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 0.95 0.00 0.00 1.05 0.00 0.00 68 Y 9.06 5.04 0.00 2.95 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 69 A 9.04 4.88 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 70 V 8.97 5.06 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 0.83 0.00 0.00 1.03 0.00 0.00 71 D 8.52 5.06 0.00 2.78 2.84 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 72 E 8.80 4.05 0.00 2.03 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 2.43 2.37 0.00 73 R 8.11 3.95 0.00 2.17 2.11 0.00 3.13 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 74 M 8.46 4.61 0.00 2.32 2.17 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.44 0.00 75 L 8.16 4.02 0.00 1.96 1.80 0.89 0.74 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 76 R 8.24 3.93 0.00 2.11 2.00 0.00 3.21 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 77 F 8.34 4.04 0.00 3.16 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 78 L 8.36 3.83 0.00 1.81 1.63 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.31 4.45 0.00 2.85 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 80 D 7.72 4.25 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.86 3.87 0.00 2.04 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 82 E 7.95 4.13 0.00 1.38 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 1.71 1.47 0.00 83 S 7.86 4.00 0.00 4.12 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 84 C 8.42 5.40 0.00 3.11 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 85 P 0.00 4.98 0.00 2.21 2.18 0.00 3.79 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 1.94 1.97 0.00 86 A 8.04 4.09 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 87 L 8.01 4.38 0.00 1.69 2.11 1.02 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.87 5.15 0.00 3.20 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 89 Q 9.42 5.03 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 90 R 8.74 4.57 0.00 1.62 1.70 0.00 2.21 0.00 0.00 2.64 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.20 0.00 91 T 8.83 4.87 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 92 V 8.29 5.11 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 0.64 0.00 0.00 0.95 0.00 0.00 93 L 8.65 4.61 0.00 1.76 1.82 0.69 0.42 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 94 R 8.47 4.97 0.00 1.73 1.79 0.00 3.02 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 95 V 8.38 4.53 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 0.92 0.00 0.00 0.24 0.00 0.00 96 Q 8.99 4.64 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 97 L 8.69 4.70 0.00 1.53 1.57 0.89 0.77 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 98 L 8.80 4.67 0.00 1.54 1.63 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.64 4.53 0.00 1.89 1.81 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 2.27 1.89 0.00 100 D 8.70 4.42 0.00 2.65 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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 0.00 111 P 0.00 4.38 0.00 2.03 2.00 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 112 T 8.46 4.74 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 1.27 0.00 0.00 113 A 7.88 5.37 1.15 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 0.00 0.00 114 V 8.48 4.43 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 0.54 0.00 0.00 0.88 0.00 0.00 115 Q 8.56 4.58 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.84 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 116 C 8.91 4.98 0.00 2.85 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 0.00 117 F 8.87 5.25 0.00 3.03 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 0.00 118 V 8.82 4.78 2.25 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 0.70 0.00 0.00 1.30 0.00 0.00 119 Y 8.78 5.07 0.00 2.79 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 0.00 120 S 9.32 5.30 0.00 4.19 4.11 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 0.00 121 R 9.13 5.12 0.00 1.96 1.95 0.00 2.78 0.00 0.00 2.78 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 122 A 9.34 4.38 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 0.00 123 T 7.70 4.16 4.11 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 1.00 0.00 0.00 124 F 7.10 4.24 0.00 2.37 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 0.00 125 P 0.00 3.96 0.00 1.42 1.77 0.00 2.20 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.61 0.00 126 P 0.00 4.34 0.00 2.15 2.09 0.00 3.50 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 127 E 8.27 4.22 0.00 2.27 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 2.62 2.49 0.00 128 W 8.74 4.41 0.00 3.47 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 0.00 129 A 8.24 4.21 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.83 4.44 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 131 L 7.13 4.24 0.00 1.82 1.62 0.65 1.00 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 0.00 132 P 0.00 4.22 0.00 2.03 1.97 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 133 H 8.56 5.04 0.00 3.14 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 H 8.87 4.99 0.00 3.23 3.32 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.66 4.73 0.00 2.98 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 0.00 136 S 7.79 4.79 0.00 3.86 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 0.00 137 Y 8.69 4.28 0.00 3.00 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 0.00 138 D 7.55 4.23 0.00 2.56 2.25 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 0.00 139 S 8.88 4.01 0.00 3.97 3.85 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 0.00 140 E 8.08 4.63 0.00 2.03 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 0.00 2.22 2.21 0.00 141 G 7.59 3.81 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 0.00 0.00 0.00 142 P 0.00 4.34 0.00 2.04 2.10 0.00 3.65 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 2.02 2.04 0.00 143 H 7.84 4.20 0.00 3.28 3.52 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 G 7.80 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 0.00 145 L 7.75 4.45 0.00 1.72 1.84 0.94 0.97 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 0.00 146 R 7.81 4.68 0.00 1.83 1.91 0.00 3.27 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 147 Y 8.68 4.38 0.00 2.93 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.54 4.41 0.00 2.62 2.52 0.00 0.00 6.69 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.35 0.00 2.09 1.87 0.00 3.57 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 150 R 7.94 4.06 0.00 1.94 2.02 0.00 2.99 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 151 E 8.54 4.29 0.00 1.96 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 2.22 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.