NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2452 8.3344 116.7856 58.4737 64.9808 173.8523 -7 D 5.3341 7.6132 123.2975 51.2712 40.7167 173.9830 -6 P 3.6004 0.0000 0.0000 65.5930 32.2191 177.5937 -5 S 5.0849 8.3378 111.2952 58.4696 63.2824 174.5805 -4 S 4.7358 8.8080 116.5849 58.1997 64.3705 176.0347 -3 I 4.1772 7.7654 122.7188 63.5699 37.4161 177.5913 -2 N 4.7312 7.5899 115.7446 51.8651 39.7056 176.3086 -1 G 3.9453 7.8622 107.4058 44.5601 0.0000 172.3230 -7 G 4.6541 7.6032 111.6975 42.1712 0.0000 172.5830 -6 I 3.3504 9.2950 128.6251 63.3930 38.9191 176.6937 -5 V 4.7349 8.0578 114.7952 62.3696 32.3824 176.2805 -4 V 4.3858 8.5280 120.0849 62.0997 33.4705 177.7347 -3 A 4.3272 8.0054 126.6188 54.9699 17.7161 178.9913 -2 M 4.4712 7.4699 116.6446 54.1651 33.7056 177.4086 -1 T 4.3353 7.6822 112.2058 61.2601 68.1428 172.1230 8 G 3.9844 8.8146 111.7122 43.9780 0.0000 170.9449 9 K 4.0858 8.6326 121.2771 57.2361 31.5933 176.2458 10 D 4.5068 8.8715 125.5206 54.7771 38.6526 173.2113 11 C 4.7813 7.5675 111.8254 57.1799 32.7152 172.8537 12 V 4.9872 7.9186 112.0779 59.7632 35.2872 174.7713 13 A 4.6985 8.4202 123.4313 50.2736 22.2727 175.3299 14 I 5.3537 8.1041 119.5145 59.5206 41.0371 173.9917 15 A 4.9760 8.5228 129.4318 50.7353 22.5483 174.1919 16 C 5.3112 8.2815 112.4109 57.3799 32.7107 173.4711 17 D 4.7345 8.5162 120.0169 52.9303 40.8756 175.7426 18 L 5.0504 8.0965 115.3668 53.5254 43.4986 176.8953 19 R 4.5532 8.0458 119.8077 56.3892 31.3571 175.9407 20 L 4.3275 8.7783 126.4708 54.0985 44.9754 174.7541 21 G 4.4343 8.3747 114.5647 44.6054 0.0000 172.2223 22 S 4.5941 8.6956 112.3161 57.2324 63.6870 175.3097 23 Q 3.6120 7.9438 128.9671 56.4594 26.9138 176.8925 24 S 4.1693 8.8113 120.9025 61.6428 63.2926 174.1418 25 L 4.1045 7.7811 124.6579 54.1323 42.0599 176.0166 26 G 4.0210 8.5973 115.8825 45.4444 0.0000 172.6181 27 V 4.1831 8.4175 122.4579 63.5576 33.8632 175.7059 28 S 4.7023 8.2517 112.8129 56.6605 65.3613 173.3267 29 N 5.0520 8.8522 122.1996 52.6736 37.3544 174.6010 30 K 4.5979 8.1709 115.1812 56.5405 34.0786 176.8203 31 F 4.5631 8.5458 125.3448 57.5328 38.9782 173.8778 32 E 4.1371 8.2576 124.5586 55.7004 30.2857 176.6970 33 K 4.2130 8.4241 121.2194 56.0146 33.8713 175.1494 34 I 4.7584 6.9490 121.1301 59.4418 39.4727 174.7514 35 F 4.9549 9.4290 124.9742 56.0542 43.8197 173.2789 36 H 4.9731 7.3798 113.0547 54.6793 31.3774 172.6019 *38 Y 4.8232 7.9571 117.0220 58.7563 39.2194 175.0688 39 G 3.9514 8.2043 116.3173 47.3937 0.0000 173.0742 40 H 4.7409 8.9180 120.6261 54.9812 28.8463 174.2380 41 V 4.3031 7.4661 121.1307 61.6982 33.2280 174.4803 42 F 5.0713 9.3060 126.6913 55.6468 41.8757 174.4334 43 L 5.2897 9.3836 124.4214 53.4768 45.2485 175.2910 44 G 4.6015 9.4239 113.8128 44.9068 0.0000 172.5630 45 I 5.1244 8.9764 123.5226 59.9737 40.8400 175.0626 46 T 4.4827 8.7311 117.3440 60.3334 71.7534 172.2374 47 G 3.8936 8.7597 105.6161 44.0617 0.0000 173.0403 48 L 4.1358 8.9879 124.1417 54.8813 42.5578 178.4079 49 A 4.1989 9.9397 128.7659 56.0656 18.0426 179.0915 50 T 3.8522 7.9567 110.6700 65.3645 67.4477 175.8860 51 D 4.4425 8.1682 120.4698 56.8952 41.2111 178.5975 52 V 3.6661 8.0776 119.0340 66.3770 31.6527 178.3289 53 T 3.8513 8.3998 115.6519 66.9089 68.3709 176.8843 54 T 3.7753 8.1061 117.8494 66.6756 68.4075 176.6992 55 L 3.3153 8.1440 121.0728 57.5054 41.5282 179.0851 56 N 4.2959 7.5930 117.8846 56.1509 38.8488 176.8328 57 E 3.9817 7.9020 119.7767 59.2732 29.3795 179.0744 58 M 3.7603 7.6511 118.3663 58.6735 32.2221 178.4309 59 F 4.3711 7.8608 118.0584 60.0229 38.9389 177.8358 60 R 3.9019 7.9598 118.7892 59.5419 29.8480 177.5536 61 Y 4.0760 7.8469 118.9387 61.0033 38.7162 178.6019 62 K 4.2642 8.5948 119.6189 59.7718 32.2531 179.5869 63 T 4.0602 8.3359 110.1625 64.3857 68.6414 176.6394 64 N 4.3487 8.3273 119.7918 56.4612 38.7812 177.3909 65 L 4.0523 7.7635 120.2247 57.6887 41.5420 178.9989 66 Y 3.9988 8.0556 119.8890 60.4863 38.6600 177.9660 67 K 4.4387 8.2931 121.9765 59.1185 32.1407 178.8356 68 L 3.9613 7.8124 118.1882 57.0768 41.4892 179.0777 69 K 4.2135 7.5034 116.8142 58.8595 32.8110 178.7260 70 E 3.8497 7.9343 117.5401 57.0002 29.4504 176.9582 71 E 3.8898 8.7410 117.2318 56.6492 27.3710 174.1274 72 R 4.5059 7.3887 110.9878 55.2019 31.8859 173.6603 73 A 4.3606 8.4739 122.4255 51.5373 19.2790 177.6511 74 I 3.6998 8.1434 121.3087 61.0990 38.8254 175.8997 75 E 4.6040 8.2859 124.8539 54.1270 32.5310 175.4656 76 P 4.3938 0.0000 0.0000 66.1915 31.2986 178.6293 77 E 3.9698 8.2389 116.3734 59.9223 29.4381 179.6222 78 T 3.8807 7.8361 114.9771 66.4922 68.6288 176.2848 79 F 3.9830 8.4594 122.9209 61.6898 39.4112 176.9786 80 T 3.6740 8.1420 115.4781 67.0712 68.2675 176.4774 81 Q 3.9518 7.6689 119.7053 58.6336 28.6796 178.5091 82 L 3.8625 7.6250 121.5713 57.8759 42.0670 179.1398 83 V 3.2018 7.5517 118.4948 65.7691 31.3376 177.7868 84 S 4.0621 7.8620 112.9871 61.6142 62.1736 176.4166 85 S 4.1775 8.1449 116.7621 61.5111 62.4392 176.5795 86 S 4.1845 7.9617 118.1629 61.3330 62.8876 176.3188 87 L 4.2596 8.2066 121.8148 58.0617 41.3834 178.9618 88 Y 3.9218 8.2996 119.2490 60.1821 38.4391 177.4016 89 E 3.9796 7.9826 119.1899 58.0530 29.8687 177.2085 90 R 4.3989 7.4264 117.5935 56.2859 30.7797 178.2867 91 R 3.2268 7.2174 120.8470 59.0802 29.8902 178.1791 92 F 4.9297 7.4920 114.5571 56.0507 39.9564 176.2645 93 G 4.9837 7.0586 116.0358 45.6892 0.0000 171.3476 94 P 4.0867 0.0000 0.0000 62.2295 32.6234 175.9818 95 Y 4.2012 7.8423 117.0199 57.8910 38.8271 176.9278 96 F 4.6734 9.1859 125.3126 56.4556 37.4629 174.6120 97 V 5.0282 7.8040 113.8537 59.4625 36.4847 176.3038 98 G 4.2242 8.8962 108.6305 43.4713 0.0000 170.8602 99 P 4.9352 0.0000 0.0000 63.5134 33.0100 176.2108 100 V 4.4805 8.7372 121.3307 61.6707 35.1534 173.4743 101 V 5.1303 8.6219 127.2495 61.2059 33.7088 174.4490 102 A 4.7750 9.3155 128.3994 49.8237 22.7253 175.2946 103 G 4.3313 7.9288 108.2373 46.6446 0.0000 171.9707 104 I 4.5929 8.1647 120.5743 58.9228 39.3958 175.7283 105 N 4.9636 8.7391 121.7015 53.4640 38.7686 174.3362 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 -8 S 8.33 4.25 0.00 3.84 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 -7 D 7.61 5.33 0.00 2.75 2.53 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 -6 P 0.00 3.60 0.00 1.21 1.42 0.00 3.28 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 0.73 1.60 0.00 -5 S 8.34 5.08 0.00 4.03 3.96 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 -4 S 8.81 4.74 0.00 3.85 3.79 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 -3 I 7.77 4.18 1.84 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 1.38 1.76 0.87 0.00 0.00 -2 N 7.59 4.73 0.00 2.76 2.74 0.00 0.00 7.54 7.58 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 -1 G 7.86 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 -7 G 7.60 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 I 9.29 3.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.91 0.00 0.00 -5 V 8.06 4.73 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 0.94 0.00 0.00 0.93 0.00 0.00 -4 V 8.53 4.39 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 0.86 0.00 0.00 0.93 0.00 0.00 -3 A 8.01 4.33 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 -2 M 7.47 4.47 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 -1 T 7.68 4.34 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 1.21 0.00 0.00 8 G 8.81 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 0.00 0.00 0.00 9 K 8.63 4.09 0.00 1.70 1.76 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.87 4.51 0.00 2.82 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 11 C 7.57 4.78 0.00 3.00 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 12 V 7.92 4.99 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 0.75 0.00 0.00 0.89 0.00 0.00 13 A 8.42 4.70 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.10 5.35 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 0.77 0.00 0.00 15 A 8.52 4.98 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 16 C 8.28 5.31 0.00 3.06 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 17 D 8.52 4.73 0.00 2.83 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 L 8.10 5.05 0.00 1.61 1.75 0.98 0.99 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 19 R 8.05 4.55 0.00 1.85 1.86 0.00 3.21 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 20 L 8.78 4.33 0.00 1.47 1.35 0.73 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.37 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.70 4.59 0.00 3.72 3.66 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 0.00 0.00 0.00 0.00 23 Q 7.94 3.61 0.00 2.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 24 S 8.81 4.17 0.00 3.97 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 25 L 7.78 4.10 0.00 1.69 1.73 0.91 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.60 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 27 V 8.42 4.18 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 0.81 0.00 0.00 0.96 0.00 0.00 28 S 8.25 4.70 0.00 3.86 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 29 N 8.85 5.05 0.00 2.86 2.86 0.00 0.00 5.87 7.13 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 30 K 8.17 4.60 0.00 1.68 1.82 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.55 4.56 0.00 3.16 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 32 E 8.26 4.14 0.00 1.61 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 2.22 2.38 0.00 33 K 8.42 4.21 0.00 1.63 1.98 0.00 1.68 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.50 1.56 7.81 34 I 6.95 4.76 1.73 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 1.31 0.48 1.01 0.00 0.00 35 F 9.43 4.95 0.00 2.76 2.66 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 0.00 0.00 0.00 0.00 36 H 7.38 4.97 0.00 1.86 1.86 0.00 5.85 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 *38 Y 7.96 4.82 0.00 2.70 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 G 8.20 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 40 H 8.92 4.74 0.00 3.34 3.40 0.00 5.51 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 41 V 7.47 4.30 1.78 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 0.67 0.00 0.00 0.67 0.00 0.00 42 F 9.31 5.07 0.00 3.13 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 43 L 9.38 5.29 0.00 2.10 1.83 1.15 1.66 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 44 G 9.42 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.98 5.12 2.13 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.00 1.04 0.00 0.00 46 T 8.73 4.48 4.33 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 1.27 0.00 0.00 47 G 8.76 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 48 L 8.99 4.14 0.00 1.98 1.76 0.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.94 4.20 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 0.00 0.00 0.00 0.00 0.00 50 T 7.96 3.85 4.28 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 1.29 0.00 0.00 51 D 8.17 4.44 0.00 3.10 2.82 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 52 V 8.08 3.67 2.60 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 1.35 0.00 0.00 1.26 0.00 0.00 53 T 8.40 3.85 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 1.25 0.00 0.00 54 T 8.11 3.78 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 55 L 8.14 3.32 0.00 1.48 1.38 0.74 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.59 4.30 0.00 1.51 2.33 0.00 0.00 6.83 6.93 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 57 E 7.90 3.98 0.00 2.15 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 2.30 2.41 0.00 58 M 7.65 3.76 0.00 1.49 1.63 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 59 F 7.86 4.37 0.00 2.85 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.96 3.90 0.00 2.23 2.15 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 61 Y 7.85 4.08 0.00 3.19 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 62 K 8.59 4.26 0.00 1.99 1.98 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.57 1.66 7.81 63 T 8.34 4.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 64 N 8.33 4.35 0.00 2.99 2.86 0.00 0.00 6.86 6.31 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 65 L 7.76 4.05 0.00 1.72 1.75 0.95 0.90 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 66 Y 8.06 4.00 0.00 3.20 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 67 K 8.29 4.44 0.00 2.16 1.97 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.55 7.81 68 L 7.81 3.96 0.00 1.84 1.70 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.50 4.21 0.00 1.61 1.75 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.58 7.81 70 E 7.93 3.85 0.00 1.62 1.76 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 1.49 1.47 0.00 71 E 8.74 3.89 0.00 2.08 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 2.21 2.35 0.00 72 R 7.39 4.51 0.00 1.99 2.00 0.00 3.02 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 73 A 8.47 4.36 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 74 I 8.14 3.70 1.08 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.11 0.66 0.00 0.00 75 E 8.29 4.60 0.00 2.05 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 2.41 2.39 0.00 76 P 0.00 4.39 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 77 E 8.24 3.97 0.00 2.07 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 0.00 2.42 2.49 0.00 78 T 7.84 3.88 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 79 F 8.46 3.98 0.00 3.02 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 80 T 8.14 3.67 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 81 Q 7.67 3.95 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 82 L 7.63 3.86 0.00 1.63 1.45 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.55 3.20 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 0.81 0.00 0.00 -0.49 0.00 0.00 84 S 7.86 4.06 0.00 3.97 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 85 S 8.14 4.18 0.00 4.12 4.10 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 86 S 7.96 4.18 0.00 4.25 4.01 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 87 L 8.21 4.26 0.00 1.90 1.77 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.30 3.92 0.00 3.13 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 89 E 7.98 3.98 0.00 2.09 2.20 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 2.29 2.33 0.00 90 R 7.43 4.40 0.00 1.77 1.72 0.00 2.89 0.00 0.00 2.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.21 0.00 91 R 7.22 3.23 0.00 0.67 0.97 0.00 2.69 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.49 4.93 0.00 3.01 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 93 G 7.06 4.98 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 0.00 0.00 0.00 94 P 0.00 4.09 0.00 1.87 1.81 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.76 0.00 95 Y 7.84 4.20 0.00 2.90 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 96 F 9.19 4.67 0.00 3.07 3.08 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 0.00 0.00 0.00 0.00 97 V 7.80 5.03 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 0.81 0.00 0.00 1.05 0.00 0.00 98 G 8.90 4.22 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 0.00 99 P 0.00 4.94 0.00 1.99 2.09 0.00 3.72 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 2.10 2.19 0.00 100 V 8.74 4.48 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 0.98 0.00 0.00 0.98 0.00 0.00 101 V 8.62 5.13 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 1.00 0.00 0.00 1.08 0.00 0.00 102 A 9.32 4.78 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 0.00 103 G 7.93 4.33 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 0.00 104 I 8.16 4.59 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.92 0.00 0.00 105 N 8.74 4.96 0.00 2.71 2.72 0.00 0.00 7.19 7.56 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 * Residues marked with a * may have inaccurate shift predictions.