NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4605 8.3301 117.1036 57.5000 64.3837 174.0475 23 A 4.0547 8.4626 126.6809 49.9440 20.2370 176.6394 24 L 3.8446 8.2563 123.2419 58.7902 42.6461 177.6835 25 H 4.1591 7.8957 114.2122 58.4875 28.1206 177.3486 26 W 4.6596 7.4111 121.0608 59.6259 28.9726 178.6510 27 R 3.9405 8.0081 117.4414 59.2511 29.4559 178.9741 28 A 3.9639 8.6660 120.6901 54.9419 18.3438 179.6018 29 A 4.0195 8.1056 119.3364 55.2134 18.5106 180.0670 30 G 3.5172 8.3069 104.0797 47.9434 0.0000 175.6767 31 A 3.9696 8.3357 123.7392 54.8153 18.3125 179.5546 32 A 3.8813 8.2579 119.4238 55.4934 18.3931 180.0783 33 T 3.6621 7.7920 114.2002 66.7661 68.6501 177.1321 34 V 3.5667 7.6921 120.1845 65.8673 31.4481 177.8390 35 L 3.9403 8.2033 120.4698 57.8874 41.8231 178.6504 36 L 3.8548 8.0867 120.5932 58.1986 42.0316 179.1383 37 V 3.5715 7.8654 118.1164 66.0121 31.2950 178.1308 38 I 3.7201 7.6104 119.4768 64.3258 36.9729 178.5787 39 V 3.6082 8.0854 119.3796 65.8129 31.3197 178.1348 40 L 4.0132 8.2617 119.1735 57.7063 41.4779 179.5144 41 L 4.0589 7.9743 118.6493 57.8329 41.5553 179.4610 42 A 4.1973 8.4075 121.1192 55.1546 18.2467 179.9042 43 G 3.7594 8.7436 104.6448 48.0404 0.0000 176.1637 44 S 4.4066 8.4793 117.4900 61.6069 63.0437 176.0893 45 Y 4.4471 8.2715 122.1640 61.0533 38.5517 178.2509 46 L 4.0604 8.7057 120.0086 57.4851 41.5725 179.4124 47 A 3.9029 8.4173 121.2613 55.1059 18.3222 179.8509 48 V 3.4450 7.4319 116.9122 65.8987 31.2837 177.9448 49 L 3.8057 7.3576 118.4006 58.1304 41.9663 178.5602 50 A 4.2237 8.0549 119.9153 54.9471 18.7365 178.9958 51 E 4.0627 8.4166 117.2421 57.8629 29.8601 177.6557 52 R 4.0766 7.2785 117.9015 57.4273 30.5124 176.8398 53 G 3.8823 8.9681 109.3907 45.0521 0.0000 173.1286 54 A 4.4906 7.8090 123.3781 49.3741 19.5802 174.4423 55 P 4.3960 0.0000 0.0000 65.1588 31.6714 176.9604 56 G 3.9339 8.9629 111.6920 45.1116 0.0000 173.6574 57 A 4.0151 7.5186 122.2994 52.5568 18.7348 177.2184 58 Q 4.3733 8.2330 118.6566 55.9320 31.2965 176.5207 59 L 4.1808 7.3769 121.8716 53.7299 40.3633 175.8572 60 I 4.3771 7.2830 109.0415 59.7573 39.4052 176.6362 61 T 4.4104 7.2308 111.3139 59.5187 72.8231 174.1188 62 Y 4.1933 8.1357 121.0191 60.7833 37.9003 177.0921 63 P 4.3993 0.0000 0.0000 65.7834 31.5394 178.8885 64 R 4.2613 8.1126 113.7298 58.9447 29.5298 178.4102 65 A 4.2469 7.9857 121.5719 54.8948 18.3155 179.3527 66 L 4.6466 8.3092 120.5327 57.5362 42.2229 178.8988 67 W 4.4553 8.2838 128.3228 60.3926 30.8150 177.6106 68 W 3.9090 8.8440 128.9492 60.4839 30.0283 178.0207 69 S 3.1834 8.3452 114.1987 61.0069 62.3334 176.7693 70 V 3.4470 7.6324 122.0261 65.6317 31.4387 177.7668 71 E 3.7576 7.3975 117.6712 57.8855 29.2531 178.9294 72 T 3.6487 6.9163 116.7251 66.1694 68.6642 176.8001 73 A 3.9867 7.8526 123.0034 54.8842 17.9271 178.9491 74 T 3.9588 7.8762 106.9747 61.7182 68.9642 175.9176 75 T 3.3155 7.4226 110.7299 62.6811 67.9321 173.5323 76 V 3.2626 7.7870 122.2038 66.4197 32.1190 176.4274 77 G 3.9184 7.5201 105.3885 46.3118 0.0000 172.5302 78 Y 4.3394 7.9944 116.8922 60.4861 38.5569 178.8826 79 G 4.3359 8.6449 105.3031 45.2213 0.0000 173.8280 80 D 4.6637 8.2091 119.6225 55.4705 39.9920 176.6886 81 L 4.5891 7.6063 117.6356 53.2011 45.7255 174.6189 82 Y 4.7107 7.1410 117.3036 55.4916 40.0208 172.1479 83 P 4.5010 0.0000 0.0000 62.9712 32.1143 176.5166 84 V 4.3309 9.0019 113.0153 61.3427 33.7977 176.7326 85 T 4.4097 7.9256 110.9979 59.7931 71.6737 175.3901 86 L 3.7256 7.9947 122.6621 58.3841 42.0357 179.3138 87 W 4.8782 7.6937 118.2921 59.7605 29.0340 178.7155 88 G 3.6352 8.2549 105.9232 47.8023 0.0000 176.1026 89 R 4.1189 8.3036 120.4676 59.1676 30.1914 178.8878 90 C 4.2845 8.4296 116.8503 62.7489 28.1711 176.2117 91 V 3.7133 8.2304 119.6988 66.0424 31.0666 177.8480 92 A 4.3408 8.3858 120.5311 55.4411 18.2239 179.7877 93 V 3.5791 8.1353 116.7251 66.0689 31.5537 178.4760 94 V 3.6008 7.8614 117.8465 65.8560 31.3404 178.2062 95 V 3.5483 7.9589 117.9961 66.1588 31.2769 177.7639 96 M 3.9569 8.2621 118.7157 58.6041 31.8098 178.9598 97 V 3.5651 8.0068 118.0287 65.9216 31.6261 177.9194 98 A 4.0566 8.2891 120.7695 54.9320 18.1909 179.9196 99 G 3.7409 8.1557 105.5995 47.5298 0.0000 175.9524 100 I 3.8366 8.0439 123.1996 64.4064 37.1709 178.6579 101 T 3.8755 8.1246 116.5711 66.7223 68.2957 176.9261 102 S 4.0150 8.1722 116.9853 61.7533 62.8937 176.8962 103 F 4.3783 8.3071 120.5443 60.3110 38.5903 178.0906 104 G 3.6559 8.4787 105.8787 47.6336 0.0000 175.6233 105 L 4.0176 8.0650 122.6824 57.7210 41.9907 179.2760 106 V 3.6591 7.6286 118.0758 66.1497 31.4374 178.0939 107 T 3.8768 8.0017 115.3169 66.7167 68.3114 176.4532 108 A 3.9401 8.1859 122.3640 55.0098 18.3409 179.5994 109 A 3.6311 7.9447 119.4182 55.0549 18.4038 179.8868 110 L 3.9511 8.1294 117.4951 57.7518 41.5910 179.5649 111 A 3.9913 8.0531 120.8094 55.5042 18.2648 179.7945 112 T 3.7062 7.6645 114.2473 66.2724 68.4059 176.6694 113 W 4.2706 7.8363 130.2069 60.6712 30.7200 178.0880 114 F 4.2459 7.9912 117.7486 60.4690 38.2998 177.8174 115 V 3.6960 8.3519 118.4700 65.9644 31.2589 178.3156 116 G 3.7241 8.4732 108.0415 48.5500 0.0000 176.5368 117 R 3.9915 8.1373 123.3000 61.0609 29.2741 180.3576 118 E 4.0963 8.4870 120.5583 59.1001 29.5840 178.8233 119 Q 4.0007 8.1256 118.1483 58.9988 28.7042 178.7653 120 E 3.9392 7.9603 119.0806 59.5852 29.4157 179.4306 121 R 3.4101 7.9108 116.7817 58.7347 30.0754 177.5162 122 R 4.4596 7.5073 115.4691 55.6137 30.5802 177.0944 123 G 3.8978 9.0318 111.1720 46.2161 0.0000 174.3177 *124 H 4.4657 8.0898 121.3683 54.5543 28.0295 180.0812 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 22 S 8.33 4.46 0.00 3.65 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 23 A 8.46 4.05 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 24 L 8.26 3.84 0.00 1.73 1.63 0.90 0.86 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 25 H 7.90 4.16 0.00 3.04 3.31 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 W 7.41 4.66 0.00 3.40 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 27 R 8.01 3.94 0.00 2.03 1.98 0.00 3.23 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 1.67 1.91 0.00 28 A 8.67 3.96 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 29 A 8.11 4.02 1.55 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 30 G 8.31 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.34 3.97 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 32 A 8.26 3.88 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 T 7.79 3.66 4.36 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 1.15 0.00 0.00 34 V 7.69 3.57 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 0.97 0.00 0.00 0.92 0.00 0.00 35 L 8.20 3.94 0.00 1.83 1.75 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 3.85 0.00 1.74 1.70 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.87 3.57 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 0.98 0.00 0.00 0.96 0.00 0.00 38 I 7.61 3.72 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.90 0.00 0.00 39 V 8.09 3.61 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 0.86 0.00 0.00 0.97 0.00 0.00 40 L 8.26 4.01 0.00 1.89 1.73 0.93 0.75 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 41 L 7.97 4.06 0.00 1.87 1.75 0.93 0.94 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 42 A 8.41 4.20 1.43 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 43 G 8.74 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 0.00 0.00 0.00 44 S 8.48 4.41 0.00 4.28 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 45 Y 8.27 4.45 0.00 3.16 3.22 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 46 L 8.71 4.06 0.00 1.90 1.79 1.02 0.90 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 47 A 8.42 3.90 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 48 V 7.43 3.44 1.84 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 0.52 0.00 0.00 0.50 0.00 0.00 49 L 7.36 3.81 0.00 1.47 1.76 0.85 0.94 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 50 A 8.05 4.22 1.43 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 51 E 8.42 4.06 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 2.29 2.22 0.00 52 R 7.28 4.08 0.00 1.75 1.81 0.00 3.04 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 53 G 8.97 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 54 A 7.81 4.49 1.25 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 55 P 0.00 4.40 0.00 2.03 2.02 0.00 3.63 0.00 0.00 3.86 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 56 G 8.96 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 57 A 7.52 4.02 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 58 Q 8.23 4.37 0.00 1.79 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.49 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 59 L 7.38 4.18 0.00 1.17 1.25 0.62 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.28 4.38 1.74 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 1.54 0.75 0.83 0.00 0.00 61 T 7.23 4.41 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 1.15 0.00 0.00 62 Y 8.14 4.19 0.00 3.19 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 63 P 0.00 4.40 0.00 2.23 2.18 0.00 3.68 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 64 R 8.11 4.26 0.00 2.23 2.29 0.00 2.95 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 65 A 7.99 4.25 1.51 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 0.00 0.00 66 L 8.31 4.65 0.00 1.97 2.04 1.03 0.77 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 67 W 8.28 4.46 0.00 3.41 3.37 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 68 W 8.84 3.91 0.00 3.45 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 3.18 0.00 3.98 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 0.00 70 V 7.63 3.45 2.16 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 1.05 0.00 0.00 1.03 0.00 0.00 71 E 7.40 3.76 0.00 1.62 1.14 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 1.64 1.77 0.00 72 T 6.92 3.65 3.55 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 0.88 0.00 0.00 73 A 7.85 3.99 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 74 T 7.88 3.96 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 1.19 0.00 0.00 75 T 7.42 3.32 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 1.14 0.00 0.00 76 V 7.79 3.26 1.66 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 -0.17 0.00 0.00 0.68 0.00 0.00 77 G 7.52 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 78 Y 7.99 4.34 0.00 3.41 3.06 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 79 G 8.64 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 80 D 8.21 4.66 0.00 2.95 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 81 L 7.61 4.59 0.00 1.84 1.53 1.18 0.74 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 82 Y 7.14 4.71 0.00 3.08 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 83 P 0.00 4.50 0.00 2.13 1.86 0.00 4.01 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 2.11 2.17 0.00 84 V 9.00 4.33 2.10 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 0.83 0.00 0.00 0.96 0.00 0.00 85 T 7.93 4.41 4.17 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 1.17 0.00 0.00 86 L 7.99 3.73 0.00 1.40 1.03 0.66 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 87 W 7.69 4.88 0.00 3.39 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 88 G 8.25 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 R 8.30 4.12 0.00 2.09 2.03 0.00 3.20 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 90 C 8.43 4.28 0.00 3.45 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 91 V 8.23 3.71 2.43 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 1.30 0.00 0.00 1.13 0.00 0.00 92 A 8.39 4.34 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 0.00 0.00 0.00 0.00 0.00 93 V 8.14 3.58 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 1.10 0.00 0.00 1.01 0.00 0.00 94 V 7.86 3.60 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 0.97 0.00 0.00 1.03 0.00 0.00 95 V 7.96 3.55 2.10 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 0.73 0.00 0.00 1.02 0.00 0.00 96 M 8.26 3.96 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.49 0.00 97 V 8.01 3.57 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 1.09 0.00 0.00 0.97 0.00 0.00 98 A 8.29 4.06 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 99 G 8.16 3.74 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 0.00 0.00 0.00 100 I 8.04 3.84 1.90 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 1.53 0.73 0.93 0.00 0.00 101 T 8.12 3.88 4.27 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 1.20 0.00 0.00 102 S 8.17 4.02 0.00 3.68 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 0.00 103 F 8.31 4.38 0.00 3.15 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 0.00 104 G 8.48 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 0.00 0.00 0.00 105 L 8.07 4.02 0.00 1.84 1.80 0.90 0.78 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 0.00 106 V 7.63 3.66 2.33 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 1.15 0.00 0.00 1.01 0.00 0.00 107 T 8.00 3.88 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 1.25 0.00 0.00 108 A 8.19 3.94 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 0.00 109 A 7.94 3.63 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 0.00 110 L 8.13 3.95 0.00 1.80 1.47 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.05 3.99 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 0.00 112 T 7.66 3.71 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 0.91 0.00 0.00 113 W 7.84 4.27 0.00 3.21 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 0.00 114 F 7.99 4.25 0.00 3.19 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 0.00 115 V 8.35 3.70 2.22 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 1.01 0.00 0.00 0.97 0.00 0.00 116 G 8.47 3.72 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 0.00 117 R 8.14 3.99 0.00 1.84 1.95 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 118 E 8.49 4.10 0.00 2.10 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 2.28 2.37 0.00 119 Q 8.13 4.00 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.68 2.56 0.00 120 E 7.96 3.94 0.00 2.21 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 2.36 2.54 0.00 121 R 7.91 3.41 0.00 1.87 2.14 0.00 3.20 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 122 R 7.51 4.46 0.00 1.92 1.93 0.00 3.23 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 123 G 9.03 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 0.00 0.00 0.00 *124 H 8.09 4.47 0.00 2.94 2.84 0.00 7.24 0.00 0.00 0.00 0.00 6.91 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.