NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0154 8.2133 108.0178 46.3344 0.0000 173.7456 2 C 5.0270 8.4846 119.6659 53.5069 41.1693 171.6098 3 P 4.4244 0.0000 0.0000 62.0208 32.5854 175.2620 4 D 4.7066 8.3843 120.2570 55.7394 41.0756 177.4294 5 G 4.0622 9.1945 112.4880 44.9227 0.0000 173.1956 6 W 4.8086 8.0521 119.0716 56.2562 30.8394 175.7806 7 T 4.6983 9.2410 119.3081 62.1875 70.1216 173.5499 8 Q 4.9829 8.7770 127.6343 54.9886 30.7192 174.7492 9 F 4.8771 9.0710 127.4995 58.3284 43.9713 174.5628 10 L 3.3043 7.1831 126.8347 56.0800 41.7448 174.8590 11 D 4.6597 8.6162 129.1292 54.9449 41.0030 174.9313 12 L 5.1922 7.9725 120.0382 53.0342 45.5713 174.7029 13 C 5.5524 8.9547 117.5608 55.5893 40.3540 173.0201 14 Y 5.8514 9.4100 119.8731 56.6785 42.0996 174.2986 15 I 4.4912 8.3352 120.2970 59.7298 41.8794 172.6707 16 Y 4.7780 8.3578 129.4374 56.1775 40.4228 174.4625 17 Q 4.1782 7.7235 125.4491 53.5398 31.9446 174.7477 18 S 4.3919 8.7769 119.4470 57.8045 63.0522 172.7926 19 A 4.4568 8.0514 126.8260 51.6123 22.1975 176.2898 20 K 4.6688 8.7504 117.9089 54.1995 32.8754 175.1203 21 A 5.0053 9.2947 125.0470 49.4474 22.8369 176.1377 22 S 5.2949 8.7223 115.1708 57.1178 64.3003 175.1405 23 W 2.9540 8.3505 130.0446 60.1982 30.1093 177.8901 24 A 3.8870 7.9083 120.0837 55.2141 17.8523 179.3607 25 S 3.9256 7.9583 111.4145 61.3428 62.3473 176.2517 26 A 3.0182 7.9523 123.7273 54.8078 18.0629 179.4385 27 Q 3.5414 7.5233 116.6540 59.1298 28.7121 179.5027 28 S 4.0165 7.6398 115.6591 61.6188 62.4684 176.7645 29 S 4.0660 8.0119 118.0115 62.1007 62.6162 176.2925 30 C 4.4216 8.2320 119.1558 60.2466 41.0336 176.3484 31 Q 4.6714 8.4565 120.8034 58.2982 28.0571 178.4112 32 A 4.0984 7.9230 120.9757 54.3107 18.3808 178.5279 33 L 4.6249 7.3897 115.6047 54.2960 41.8810 177.1367 34 G 3.9466 8.3326 106.6421 46.0427 0.0000 174.2345 35 G 4.3373 8.5116 108.5417 44.9632 0.0000 171.8301 36 I 5.0964 8.5047 113.1129 58.7846 41.7883 174.8530 37 L 4.5598 8.6705 122.6195 55.0353 42.1877 177.5005 38 A 4.3480 9.1193 124.8240 52.2103 19.6102 176.8613 39 E 3.8708 9.3500 121.8679 53.5940 29.3983 173.7568 40 P 4.6557 0.0000 0.0000 61.9483 30.3088 176.3363 41 D 5.0809 8.4231 123.1469 53.9837 40.2956 177.4656 42 T 4.3697 7.5101 109.9349 59.3647 73.1712 174.4047 43 A 3.6664 7.4479 124.6582 54.7872 18.3805 179.9684 44 C 3.9729 7.7840 114.8162 62.6809 28.4075 175.7019 45 E 3.7784 8.1064 120.2394 59.5315 29.0481 179.2320 46 N 4.5581 7.9525 117.1766 55.9453 38.6334 177.2036 47 E 3.8942 8.0434 119.8824 59.3088 29.4679 179.7405 48 V 3.4205 7.5162 118.0403 66.0249 31.5699 178.1089 49 L 3.8280 7.6783 118.6494 57.6797 41.3614 179.5320 50 I 3.2404 7.9098 120.1560 64.4817 36.9515 177.7020 51 H 3.9730 8.1825 118.9569 59.7028 29.6350 177.0639 52 M 4.2383 8.0061 121.5681 57.9616 31.7332 178.4509 53 C 3.7893 8.0828 116.9642 62.7008 28.3230 176.3426 54 K 3.8002 7.9165 119.8789 59.5824 31.4747 179.1861 55 E 3.8866 8.1582 118.8278 58.8543 29.0511 178.2013 56 N 4.6235 7.4301 113.7158 51.7236 38.9558 174.9845 57 G 3.8028 7.8002 108.0481 47.0745 0.0000 173.7615 58 D 4.7238 8.2203 113.8625 53.1813 41.3347 175.7661 59 A 4.5758 7.7209 119.9558 51.8050 21.0408 176.8811 60 G 2.9289 6.8686 106.9546 44.6677 0.0000 173.7257 61 S 3.7635 6.8039 117.2766 58.6471 63.9576 173.8664 62 F 3.7518 8.2300 118.2551 58.6183 36.4562 175.4899 63 G 4.4527 7.2738 104.5120 44.3061 0.0000 172.3710 64 P 4.7950 0.0000 0.0000 61.9420 32.8717 176.0595 65 W 5.2616 8.9189 121.6323 57.8881 29.8401 175.1809 66 L 4.8865 9.5951 122.6496 52.6060 45.7975 176.7971 67 G 4.3055 9.3294 107.6188 45.9222 0.0000 173.8088 68 G 4.4099 8.1233 106.8869 45.6383 0.0000 173.5100 69 Q 4.7974 9.2726 119.6994 54.2344 32.6549 173.5678 70 K 3.6202 7.7315 122.8262 54.5864 33.1977 176.0854 71 V 3.8929 8.3452 129.6767 61.7504 33.1322 177.2495 72 G 3.7513 8.4927 120.7787 46.9156 0.0000 173.6950 73 G 3.7342 9.0540 111.2093 44.6956 0.0000 172.5089 74 A 4.5868 7.6563 123.0991 49.6807 21.4560 176.1359 75 W 4.3879 8.4526 123.1966 55.8388 30.6350 175.5553 76 Q 4.7241 8.3272 121.6414 54.4155 32.2546 173.6614 77 W 4.9535 9.1154 121.4515 56.7426 29.7583 177.5012 78 S 4.2830 9.6210 120.8482 61.5372 62.0828 175.8265 79 S 4.3966 8.9639 114.2050 60.3811 62.7976 174.8248 80 S 4.5870 7.9453 112.1210 56.5677 64.2184 174.8644 81 G 3.8710 8.5823 108.1995 45.6843 0.0000 173.5469 82 A 4.1619 8.0463 123.8272 51.3923 18.7242 177.4318 83 A 4.4353 8.7649 126.3326 52.3489 18.9647 177.2018 84 F 4.6053 8.4432 121.1549 58.3957 38.9127 173.4937 85 D 4.9091 8.5130 122.8045 55.6299 43.6937 175.2203 86 Y 4.3456 8.0276 119.0175 57.8370 39.7103 175.4770 87 L 4.1929 7.1478 125.0601 52.9210 45.0664 176.3019 88 R 3.8732 5.8400 119.7084 54.9270 30.5181 174.7761 89 W 4.6891 7.6342 115.6824 56.2840 29.1175 175.9244 90 G 3.5661 8.6259 112.9953 48.2023 0.0000 174.2401 *92 N 4.6688 7.8422 116.5378 51.7109 40.7093 174.1975 93 E 4.6759 8.0125 117.8906 53.6048 31.9733 174.1505 94 P 4.2826 0.0000 0.0000 62.3805 32.0590 175.8600 95 N 4.6911 8.7134 115.2673 51.7606 39.2790 173.4919 96 N 4.1023 8.6119 118.3308 54.6418 37.8578 174.1786 97 S 4.3826 8.2443 112.2143 59.6739 62.8673 173.7745 98 G 3.8661 9.1030 115.9125 45.2533 0.0000 174.6798 99 G 4.0943 8.3508 107.8146 45.3681 0.0000 174.1462 100 N 4.9766 7.7095 115.9537 52.6090 37.7174 174.3922 101 E 4.6788 8.5815 121.2261 56.4146 28.2039 176.0858 102 D 4.8789 8.3389 119.2373 53.7453 43.0619 175.7024 103 C 5.2648 8.5648 115.9344 54.9539 44.9396 172.4902 104 L 5.4119 8.7300 123.5538 54.1507 43.8267 175.0096 105 H 5.3805 8.9453 120.1411 54.7500 32.5090 171.5100 106 Y 4.9031 8.7116 117.0508 57.2045 39.3934 174.4403 107 N 4.7555 9.2964 123.3747 51.5441 41.7467 174.3264 108 W 4.0643 8.9941 127.4741 56.8269 27.3473 174.8970 109 L 3.5210 8.2767 112.3515 55.5293 38.8500 174.7027 110 S 4.9339 7.9041 113.2106 56.0996 66.8466 173.5095 111 W 4.8173 8.7154 122.8887 57.1844 29.9505 174.9841 112 N 5.7278 9.3260 122.0488 51.8716 42.5895 172.5968 113 D 5.5211 9.0133 123.9769 52.9688 40.9971 175.3187 114 L 5.3358 9.6525 124.2304 51.6073 46.4802 175.4380 115 R 4.6473 8.8499 120.5313 56.3773 29.7641 178.3706 116 C 4.1614 9.1763 120.3831 59.7913 40.4546 174.6206 117 H 4.5194 8.2100 114.3773 55.9116 28.9015 174.6331 118 Y 4.0795 8.5098 122.8110 58.2925 39.8277 175.2095 119 Q 4.8760 8.1224 125.2274 55.2661 29.7075 174.5936 120 A 4.8535 9.3170 125.7585 50.2561 23.6139 174.8103 121 S 4.8894 8.4320 115.0595 58.5769 65.2810 172.9032 122 Y 4.9519 7.8438 116.9166 56.1842 41.6379 173.7454 123 L 5.1929 8.6502 120.5171 53.3617 44.7575 175.2450 124 C 5.6550 9.2138 121.5703 55.3646 44.5289 172.7904 125 Q 5.8567 9.4342 118.8646 54.8705 32.0231 174.1941 126 R 5.0436 9.2210 116.2459 54.2252 33.7299 173.9210 127 A 4.4723 8.4850 121.1964 51.9575 18.8739 177.4944 128 A 4.1200 8.9538 124.3471 51.9469 19.4804 177.7708 129 E 4.0779 8.7297 119.5456 56.5638 29.6520 176.5542 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 G 8.21 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 8.48 5.03 0.00 3.02 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 3 P 0.00 4.42 0.00 1.50 1.69 0.00 2.89 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.61 0.00 4 D 8.38 4.71 0.00 2.71 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 5 G 9.19 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 6 W 8.05 4.81 0.00 3.36 3.33 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 7 T 9.24 4.70 4.46 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 1.37 0.00 0.00 8 Q 8.78 4.98 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 9 F 9.07 4.88 0.00 3.26 2.99 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 10 L 7.18 3.30 0.00 1.28 0.47 0.71 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.62 4.66 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 5.19 0.00 1.39 1.00 0.98 0.70 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 13 C 8.95 5.55 0.00 2.74 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 14 Y 9.41 5.85 0.00 2.90 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 15 I 8.34 4.49 0.56 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.11 -0.20 0.00 0.00 16 Y 8.36 4.78 0.00 2.91 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 17 Q 7.72 4.18 0.00 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 1.82 2.12 0.00 18 S 8.78 4.39 0.00 4.02 3.77 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 19 A 8.05 4.46 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 20 K 8.75 4.67 0.00 1.63 1.74 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.36 7.81 21 A 9.29 5.01 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 22 S 8.72 5.29 0.00 4.20 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 23 W 8.35 2.95 0.00 1.78 2.55 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 24 A 7.91 3.89 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 25 S 7.96 3.93 0.00 3.91 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 26 A 7.95 3.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.52 3.54 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 1.17 1.16 0.00 28 S 7.64 4.02 0.00 3.93 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 29 S 8.01 4.07 0.00 3.49 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 30 C 8.23 4.42 0.00 3.01 3.24 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 31 Q 8.46 4.67 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 32 A 7.92 4.10 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 33 L 7.39 4.62 0.00 2.09 2.12 1.11 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.33 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 35 G 8.51 4.34 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 0.00 36 I 8.50 5.10 1.87 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 1.28 1.29 0.92 0.00 0.00 37 L 8.67 4.56 0.00 1.45 1.72 0.07 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.12 4.35 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 39 E 9.35 3.87 0.00 1.59 1.12 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 2.48 2.44 0.00 40 P 0.00 4.66 0.00 2.48 2.12 0.00 3.53 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 2.26 2.06 0.00 41 D 8.42 5.08 0.00 3.04 2.34 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 42 T 7.51 4.37 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 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 A 7.45 3.67 1.07 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 0.00 0.00 44 C 7.78 3.97 0.00 3.08 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 45 E 8.11 3.78 0.00 2.23 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 2.76 2.68 0.00 46 N 7.95 4.56 0.00 3.05 2.98 0.00 0.00 6.58 6.95 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 47 E 8.04 3.89 0.00 1.96 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 0.00 2.47 2.39 0.00 48 V 7.52 3.42 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 1.13 0.00 0.00 0.52 0.00 0.00 49 L 7.68 3.83 0.00 1.79 1.77 0.85 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.91 3.24 1.89 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 0.81 0.21 0.75 0.00 0.00 51 H 8.18 3.97 0.00 3.25 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 8.01 4.24 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.47 0.00 53 C 8.08 3.79 0.00 2.92 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 54 K 7.92 3.80 0.00 1.79 1.73 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.54 7.81 55 E 8.16 3.89 0.00 2.00 1.86 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 2.18 2.20 0.00 56 N 7.43 4.62 0.00 1.67 1.94 0.00 0.00 7.00 7.42 0.00 0.00 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 G 7.80 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 0.00 0.00 0.00 58 D 8.22 4.72 0.00 2.47 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.58 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 60 G 6.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 6.80 3.76 0.00 3.22 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 62 F 8.23 3.75 0.00 3.18 3.01 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 0.00 0.00 0.00 63 G 7.27 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.80 0.00 2.26 2.27 0.00 3.89 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 65 W 8.92 5.26 0.00 3.38 3.11 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 66 L 9.60 4.89 0.00 1.55 1.72 0.05 1.16 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 67 G 9.33 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 0.00 0.00 0.00 0.00 68 G 8.12 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.27 4.80 0.00 1.53 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.13 0.00 70 K 7.73 3.62 0.00 0.79 0.80 0.00 1.42 0.00 0.00 1.41 0.00 0.00 2.39 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.67 0.21 7.81 71 V 8.35 3.89 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 0.80 0.00 0.00 0.77 0.00 0.00 72 G 8.49 3.75 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 0.00 0.00 0.00 73 G 9.05 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 74 A 7.66 4.59 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 75 W 8.45 4.39 0.00 3.04 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 0.00 0.00 0.00 0.00 76 Q 8.33 4.72 0.00 2.15 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.02 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 77 W 9.12 4.95 0.00 3.52 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.62 4.28 0.00 4.29 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 0.00 79 S 8.96 4.40 0.00 4.06 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 80 S 7.95 4.59 0.00 4.06 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 0.00 81 G 8.58 3.87 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 0.00 0.00 0.00 82 A 8.05 4.16 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.76 4.44 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 84 F 8.44 4.61 0.00 3.14 3.09 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 85 D 8.51 4.91 0.00 2.80 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 86 Y 8.03 4.35 0.00 3.13 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 87 L 7.15 4.19 0.00 1.33 1.28 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 88 R 5.84 3.87 0.00 0.67 0.66 0.00 3.11 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.00 89 W 7.63 4.69 0.00 3.21 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 90 G 8.63 3.57 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 0.00 *92 N 7.84 4.67 0.00 2.73 2.87 0.00 0.00 6.74 7.66 0.00 0.00 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 E 8.01 4.68 0.00 2.19 1.87 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 2.38 2.49 0.00 94 P 0.00 4.28 0.00 1.90 0.58 0.00 2.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.44 0.00 95 N 8.71 4.69 0.00 2.78 3.08 0.00 0.00 6.26 8.04 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 96 N 8.61 4.10 0.00 2.93 2.79 0.00 0.00 6.74 7.35 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 97 S 8.24 4.38 0.00 3.91 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 98 G 9.10 3.87 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 0.00 0.00 0.00 99 G 8.35 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 0.00 100 N 7.71 4.98 0.00 2.89 2.99 0.00 0.00 6.83 7.54 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 0.00 101 E 8.58 4.68 0.00 2.40 2.21 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 2.41 2.51 0.00 102 D 8.34 4.88 0.00 2.37 2.31 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 0.00 103 C 8.56 5.26 0.00 2.95 2.49 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 0.00 104 L 8.73 5.41 0.00 1.94 1.67 0.09 -0.36 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 0.00 105 H 8.95 5.38 0.00 3.08 3.31 0.00 5.32 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.71 4.90 0.00 2.89 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 0.00 107 N 9.30 4.76 0.00 2.57 2.66 0.00 0.00 6.88 7.94 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 0.00 108 W 8.99 4.06 0.00 3.39 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.28 3.52 0.00 1.78 1.63 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.90 4.93 0.00 4.04 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 0.00 111 W 8.72 4.82 0.00 2.83 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 0.00 0.00 0.00 112 N 9.33 5.73 0.00 2.89 2.62 0.00 0.00 6.77 9.22 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 0.00 113 D 9.01 5.52 0.00 3.37 2.91 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 0.00 114 L 9.65 5.34 0.00 1.68 1.68 0.88 0.31 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 0.00 115 R 8.85 4.65 0.00 2.08 2.22 0.00 3.34 0.00 0.00 3.46 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.86 0.00 116 C 9.18 4.16 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 H 8.21 4.52 0.00 3.24 3.41 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.51 4.08 0.00 3.46 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 0.00 119 Q 8.12 4.88 0.00 1.84 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 120 A 9.32 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 S 8.43 4.89 0.00 3.87 3.49 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 0.00 122 Y 7.84 4.95 0.00 3.07 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 0.00 123 L 8.65 5.19 0.00 1.64 1.62 1.15 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 124 C 9.21 5.66 0.00 2.81 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 0.00 125 Q 9.43 5.86 0.00 2.29 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 126 R 9.22 5.04 0.00 1.73 2.10 0.00 2.72 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.16 0.00 127 A 8.48 4.47 1.18 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 0.00 0.00 128 A 8.95 4.12 1.19 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 0.00 0.00 129 E 8.73 4.08 0.00 1.84 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.