NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8217 8.1676 115.8756 57.1563 40.2373 176.8172 11 H 4.0113 5.2900 117.4715 54.1205 28.9741 170.4666 12 E 4.2790 9.4463 122.7126 57.4984 30.0954 176.9023 13 M 4.5656 7.1420 114.4295 55.0156 32.4077 176.3619 14 R 4.5782 7.7151 116.7104 55.5502 32.5173 175.5892 15 E 4.1018 7.9388 117.2896 54.9412 30.3691 174.5770 16 P 4.2670 0.0000 0.0000 63.1960 32.2631 175.0977 17 R 4.1804 7.5437 114.1096 55.4807 32.9674 173.8096 18 I 4.3419 8.4658 121.8707 60.7462 38.2225 174.9726 19 E 4.4843 8.6686 128.7365 54.4620 31.3957 171.8478 20 K 4.6061 8.7359 132.6792 55.4254 34.1547 174.6331 21 V 4.5765 7.8507 119.7665 61.2247 34.7621 173.9373 22 V 4.4996 8.3287 128.8509 61.6644 33.1001 174.8865 23 V 4.9315 8.3232 122.5542 59.3008 33.3715 174.6093 24 H 5.2187 8.5621 124.7747 54.6193 33.5952 172.0331 25 M 4.4013 8.6378 124.7521 53.3183 33.1293 175.1339 26 G 4.0819 7.9422 112.1775 46.1974 0.0000 171.3940 27 I 4.1518 7.6159 125.9319 60.3749 39.6752 176.2847 28 G 4.0644 7.8746 111.7706 45.4353 0.0000 172.5967 29 H 4.6688 7.9076 117.8050 55.4474 29.8771 173.5721 *35 A 4.1776 7.0327 123.5528 51.9424 19.1239 176.6302 36 N 4.4411 8.7809 113.1340 56.4784 36.5016 176.6299 37 A 3.7386 8.0072 122.5665 54.6913 18.3498 178.8604 38 E 3.9063 8.6501 118.0363 60.0344 29.4685 179.0918 39 D 4.4472 7.5411 118.4821 57.7443 40.8870 179.6421 40 I 3.7686 7.5373 112.9728 64.0178 37.5105 178.1821 41 L 4.1085 7.8890 120.4598 57.4533 41.4983 179.4277 42 G 3.6337 8.3762 106.1470 47.8456 0.0000 175.5854 43 E 4.0716 7.8255 119.7716 58.9851 29.7362 178.8038 44 I 3.9144 8.1833 118.3962 63.3276 38.0336 176.6977 45 T 4.5671 8.0229 108.5605 64.1045 70.0552 174.8034 46 G 3.8347 7.1621 108.6700 44.2437 0.0000 173.3405 47 Q 4.5722 7.7404 115.9279 54.1804 31.6432 174.2397 48 M 3.8108 8.5238 118.4837 55.6254 32.4862 174.7386 49 P 4.8411 0.0000 0.0000 61.7772 33.4320 175.1886 50 V 4.4510 8.3636 120.7866 60.8127 34.2315 175.3928 51 R 4.3739 8.7519 125.9055 57.3523 31.2072 176.7847 52 T 4.5107 8.6188 117.1716 61.4093 70.2971 174.0113 53 K 5.3428 8.7668 124.7402 55.7579 33.3056 175.5571 54 A 4.8842 8.6842 122.5501 50.2454 22.1402 175.6343 55 K 4.5633 8.4590 117.5905 55.6513 35.0105 175.1441 56 R 4.1678 8.6476 123.2532 56.3678 29.6503 175.9354 57 T 4.5633 8.2527 117.2049 62.4464 69.9805 174.5835 58 V 4.5495 8.9662 125.2979 60.6138 35.0493 175.8804 59 G 3.8584 8.9396 112.9265 48.7884 0.0000 174.8419 60 E 4.2525 8.1057 118.4915 58.3908 28.2608 176.1034 61 F 4.1526 7.7320 112.8253 60.2656 38.8381 174.9840 62 D 4.9281 7.8944 118.4330 51.7955 40.2110 175.5488 63 I 4.1791 7.6818 114.6524 61.0506 39.4953 177.3348 64 R 3.8546 7.9173 121.6207 56.2389 29.4722 174.5925 65 E 3.9945 8.2010 129.2512 58.5675 29.2454 176.3542 66 G 3.8734 8.0418 110.5096 46.5694 0.0000 172.0753 67 D 4.5327 8.3120 121.5851 51.5876 42.4463 173.4739 68 P 4.5953 0.0000 0.0000 62.5971 30.6617 176.4617 69 I 4.6055 9.1738 126.6102 59.1637 39.6101 175.0016 70 G 4.4452 7.5363 107.4411 43.3731 0.0000 172.3229 71 A 5.8601 8.1140 121.0404 49.4357 23.2611 174.9950 72 K 5.1171 8.3072 116.6726 55.7474 37.0409 175.5527 73 V 4.5348 8.4564 120.5160 61.8252 34.8554 173.4049 74 T 4.7068 8.5367 119.0611 60.4736 69.9167 173.8989 75 L 4.7612 8.5315 126.9396 52.9067 44.2075 175.9708 76 R 4.7547 7.9812 120.4900 54.6131 34.1047 176.1744 77 D 4.4481 8.9414 120.6923 55.7181 38.9246 176.4941 78 E 3.9673 8.9423 124.3257 60.9509 27.7699 178.2657 79 M 3.9724 8.2718 117.8780 58.4865 31.8184 178.5114 80 A 4.3691 7.9151 120.5777 54.8886 18.8787 179.3241 81 E 3.9512 8.0432 116.6398 59.5945 29.5777 179.0562 82 E 4.0952 8.3439 118.4306 59.0499 29.8881 179.0760 83 F 4.4055 7.5727 120.0959 60.7666 39.8985 177.6363 84 L 4.2474 8.2730 118.1924 57.2526 41.0755 178.8451 85 Q 4.1158 8.0916 115.9941 56.6320 28.3143 176.2095 86 T 4.5300 7.6031 108.6751 62.5826 73.7799 175.2248 87 A 3.9818 7.7977 125.4650 54.9817 18.9963 179.0837 88 L 3.6164 8.1909 114.8645 57.5525 41.8111 178.2024 89 P 4.1924 0.0000 0.0000 65.5323 31.2576 177.0655 90 L 4.4070 8.0690 115.9095 54.4533 41.5872 176.0913 91 A 4.8249 8.2667 121.4941 50.4966 21.9342 175.1750 92 E 4.4241 8.2748 116.7568 58.5611 31.7630 176.4972 93 L 3.6907 6.7074 116.4546 52.2267 43.6852 175.7095 94 A 4.4756 8.6137 122.6350 52.5877 21.0346 174.8066 95 T 3.1614 8.7287 110.6175 62.8622 69.3941 173.8134 96 S 3.8447 8.6901 120.0514 60.4820 63.2209 173.3454 97 Q 4.5743 10.7000 119.5255 55.7954 28.5050 174.6185 98 F 5.0141 7.7055 114.3884 55.0264 41.3042 174.9852 99 D 4.6858 9.9523 123.3384 54.4205 41.6582 175.9085 100 D 4.7051 8.5372 119.6774 55.3091 41.2706 177.5611 101 T 4.5835 7.2296 113.2296 62.2573 68.8540 174.4976 102 G 3.9408 8.3290 108.6985 46.7134 0.0000 173.0471 103 N 5.3034 7.7843 115.9558 51.1852 42.0077 173.2119 104 F 4.6986 7.5157 109.2600 56.2248 41.1346 173.0399 105 S 5.0217 8.2224 116.7855 56.4818 65.1081 172.8190 106 F 4.9344 8.6544 120.5502 55.3380 41.5810 172.7994 107 G 4.2513 8.9715 102.1945 44.4996 0.0000 173.8227 *128 L 4.0047 8.5071 124.1272 55.1657 43.6469 176.1435 129 D 4.9670 8.5960 126.1581 52.9372 43.9078 176.3316 130 V 4.2046 7.9119 120.6721 62.0132 34.4469 173.8544 131 T 4.6899 8.5915 125.3408 61.6366 71.2563 174.0765 132 V 4.3122 7.7094 124.0957 61.0948 34.5268 173.6045 133 N 4.9550 8.6096 127.0991 52.2827 40.2704 173.6033 134 L 5.3700 8.1384 125.6740 53.2589 44.9165 175.7033 135 V 4.2493 7.8847 120.1914 61.3575 35.1859 171.5173 136 R 4.3768 8.3089 116.7815 54.8857 31.4147 177.3392 137 P 3.9910 0.0000 0.0000 65.2299 32.3007 177.1912 138 G 4.1638 7.8425 106.8591 45.9908 0.0000 175.4636 139 Y 4.2506 8.1769 123.0195 60.1732 38.8644 176.0388 140 R 3.7740 8.2648 119.4072 59.5753 29.9078 178.1273 141 V 3.4828 7.4620 116.4901 65.1279 31.1521 176.7170 142 A 4.6274 7.6848 119.1947 50.9148 19.7095 176.9403 143 K 4.2530 7.7567 115.5362 55.7721 33.7649 176.6208 144 R 4.3004 7.5545 115.3326 55.3414 30.8490 176.2914 145 D 4.4688 8.4060 117.0799 56.9130 41.0133 177.6409 146 K 4.0180 7.8779 118.4696 57.5480 32.6649 176.8648 147 A 3.7282 8.8110 124.0766 52.4842 16.3354 177.0365 148 S 4.5225 7.1593 111.9306 61.0085 63.4508 173.6350 149 R 4.6343 8.8761 119.8372 55.0454 33.7613 173.9824 150 S 4.3504 8.5661 120.0626 57.9123 63.3179 173.8241 151 I 3.9188 8.2861 127.7815 60.4174 37.7917 174.3465 152 P 4.4038 0.0000 0.0000 62.5629 32.1119 177.2147 153 T 3.9288 8.8482 113.2174 65.4176 67.9798 176.5863 154 K 4.0192 7.9796 119.5762 59.2421 32.2786 177.7416 155 H 4.6150 7.9902 115.2296 55.7847 30.0627 175.1864 156 R 4.2547 7.2689 118.9173 56.2981 30.5518 175.1702 157 L 4.5396 8.1532 120.6286 53.7844 43.4712 175.6850 158 N 4.7441 8.1849 123.1863 51.6094 41.1616 174.5574 159 P 4.3197 0.0000 0.0000 65.8372 31.4271 178.8448 160 A 3.8585 7.8775 118.7730 55.4038 18.6612 179.2465 161 D 4.4307 8.1917 116.1155 56.7110 40.7875 178.8853 162 A 4.2398 7.6570 121.4906 54.9746 18.9001 179.3346 163 V 3.1939 7.5368 116.4949 66.3519 31.2948 177.6486 164 A 3.8989 7.9611 120.0295 55.1582 17.9788 178.9003 165 F 4.1516 7.7249 116.6253 61.7863 39.6804 177.5977 166 I 3.4900 7.8599 118.7245 64.3954 36.8156 177.8276 167 E 4.4446 8.1576 120.4032 58.5922 29.3399 177.8560 168 S 4.5354 8.0284 111.7891 57.9250 64.6527 175.0825 169 T 4.7684 7.8780 113.2338 62.5460 70.4447 173.2045 170 Y 3.3865 7.9330 116.9291 57.9621 35.2370 168.9257 171 D 4.4060 6.8744 117.2227 54.0342 43.6852 175.3543 172 V 4.7467 7.9953 117.0318 61.2016 35.7107 178.4199 173 E 4.3664 9.0258 122.4581 56.4480 28.7544 177.3241 174 V 3.9482 7.7294 116.6270 63.7906 31.7876 175.0755 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 10 F 8.17 4.82 0.00 3.36 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 11 H 5.29 4.01 0.00 3.08 2.31 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 9.45 4.28 0.00 1.64 1.85 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 2.07 2.17 0.00 13 M 7.14 4.57 0.00 2.07 2.02 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 2.51 2.55 0.00 14 R 7.72 4.58 0.00 1.77 1.97 0.00 3.44 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 15 E 7.94 4.10 0.00 2.15 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 0.00 2.33 2.28 0.00 16 P 0.00 4.27 0.00 0.99 1.66 0.00 3.63 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 1.98 1.99 0.00 17 R 7.54 4.18 0.00 1.76 1.82 0.00 2.73 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.46 0.00 18 I 8.47 4.34 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.90 0.97 0.00 0.00 19 E 8.67 4.48 0.00 1.84 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 0.00 2.18 2.21 0.00 20 K 8.74 4.61 0.00 2.09 1.96 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.30 7.81 21 V 7.85 4.58 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 0.96 0.00 0.00 0.96 0.00 0.00 22 V 8.33 4.50 1.96 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 0.89 0.00 0.00 0.84 0.00 0.00 23 V 8.32 4.93 1.92 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 0.30 0.00 0.00 0.70 0.00 0.00 24 H 8.56 5.22 0.00 3.16 2.97 0.00 5.62 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 25 M 8.64 4.40 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 26 G 7.94 4.08 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 0.00 0.00 0.00 27 I 7.62 4.15 1.77 0.00 0.00 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 1.10 0.74 0.75 0.00 0.00 28 G 7.87 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 29 H 7.91 4.67 0.00 3.18 3.34 0.00 5.76 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 *35 A 7.03 4.18 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 36 N 8.78 4.44 0.00 2.92 3.14 0.00 0.00 5.87 7.46 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 37 A 8.01 3.74 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 38 E 8.65 3.91 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 2.50 0.00 39 D 7.54 4.45 0.00 2.53 2.76 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 40 I 7.54 3.77 1.88 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 1.71 1.16 0.92 0.00 0.00 41 L 7.89 4.11 0.00 1.90 1.72 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 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 43 E 7.83 4.07 0.00 1.93 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 2.35 2.50 0.00 44 I 8.18 3.91 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.86 1.08 0.00 0.00 45 T 8.02 4.57 4.12 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 0.96 0.00 0.00 46 G 7.16 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 47 Q 7.74 4.57 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.62 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 48 M 8.52 3.81 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 49 P 0.00 4.84 0.00 1.91 1.94 0.00 3.59 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 50 V 8.36 4.45 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 1.05 0.00 0.00 0.91 0.00 0.00 51 R 8.75 4.37 0.00 1.72 1.85 0.00 3.35 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 52 T 8.62 4.51 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 1.21 0.00 0.00 53 K 8.77 5.34 0.00 1.63 1.74 0.00 1.73 0.00 0.00 2.36 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.28 7.81 54 A 8.68 4.88 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 55 K 8.46 4.56 0.00 1.62 1.70 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 R 8.65 4.17 0.00 1.99 2.00 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 57 T 8.25 4.56 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 1.24 0.00 0.00 58 V 8.97 4.55 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 1.02 0.00 0.00 0.94 0.00 0.00 59 G 8.94 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 60 E 8.11 4.25 0.00 2.14 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 0.00 2.31 2.34 0.00 61 F 7.73 4.15 0.00 3.03 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 62 D 7.89 4.93 0.00 2.95 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 63 I 7.68 4.18 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.85 1.05 0.00 0.00 64 R 7.92 3.85 0.00 1.77 2.05 0.00 3.20 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 65 E 8.20 3.99 0.00 2.02 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 2.29 2.32 0.00 66 G 8.04 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 67 D 8.31 4.53 0.00 2.72 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 68 P 0.00 4.60 0.00 1.94 2.03 0.00 3.61 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 2.01 2.11 0.00 69 I 9.17 4.61 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.12 0.93 0.00 0.00 70 G 7.54 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 71 A 8.11 5.86 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 72 K 8.31 5.12 0.00 1.74 1.86 0.00 1.43 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 73 V 8.46 4.53 1.92 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 0.91 0.00 0.00 0.86 0.00 0.00 74 T 8.54 4.71 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 1.15 0.00 0.00 75 L 8.53 4.76 0.00 1.47 1.52 0.52 0.55 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 76 R 7.98 4.75 0.00 1.62 1.77 0.00 3.31 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 77 D 8.94 4.45 0.00 2.89 2.26 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 78 E 8.94 3.97 0.00 2.02 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 2.41 2.42 0.00 79 M 8.27 3.97 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 80 A 7.92 4.37 1.41 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 81 E 8.04 3.95 0.00 2.15 1.99 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 2.45 2.63 0.00 82 E 8.34 4.10 0.00 2.03 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 0.00 2.36 2.52 0.00 83 F 7.57 4.41 0.00 3.34 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 84 L 8.27 4.25 0.00 2.00 1.81 1.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.09 4.12 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.46 0.00 86 T 7.60 4.53 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 1.14 0.00 0.00 87 A 7.80 3.98 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 88 L 8.19 3.62 0.00 1.72 1.68 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.19 0.00 2.12 2.12 0.00 3.66 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 2.00 2.12 0.00 90 L 8.07 4.41 0.00 1.79 1.72 0.91 0.56 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 91 A 8.27 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.27 4.42 0.00 1.93 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 2.19 2.28 0.00 93 L 6.71 3.69 0.00 1.73 1.83 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.61 4.48 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 95 T 8.73 3.16 4.25 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 1.12 0.00 0.00 96 S 8.69 3.84 0.00 4.23 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 0.00 97 Q 10.70 4.57 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 98 F 7.71 5.01 0.00 2.99 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 99 D 9.95 4.69 0.00 2.82 2.87 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 0.00 100 D 8.54 4.71 0.00 2.73 2.73 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 0.00 101 T 7.23 4.58 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 1.24 0.00 0.00 102 G 8.33 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 0.00 0.00 0.00 103 N 7.78 5.30 0.00 2.96 2.79 0.00 0.00 6.58 8.13 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 0.00 104 F 7.52 4.70 0.00 2.49 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 0.00 0.00 0.00 105 S 8.22 5.02 0.00 3.75 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 F 8.65 4.93 0.00 3.15 3.17 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 0.00 107 G 8.97 4.25 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 0.00 *128 L 8.51 4.00 0.00 1.75 1.61 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.60 4.97 0.00 2.72 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 4.20 0.95 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 0.87 0.00 0.00 0.93 0.00 0.00 131 T 8.59 4.69 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 1.07 0.00 0.00 132 V 7.71 4.31 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 1.07 0.00 0.00 0.73 0.00 0.00 133 N 8.61 4.95 0.00 2.79 2.88 0.00 0.00 6.55 6.37 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 0.00 134 L 8.14 5.37 0.00 1.73 1.52 1.32 1.14 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 0.00 135 V 7.88 4.25 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.76 0.00 0.00 136 R 8.31 4.38 0.00 1.82 1.97 0.00 2.93 0.00 0.00 3.02 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 137 P 0.00 3.99 0.00 2.28 2.13 0.00 3.62 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 1.90 2.11 0.00 138 G 7.84 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 0.00 0.00 0.00 139 Y 8.18 4.25 0.00 3.16 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 0.00 140 R 8.26 3.77 0.00 1.93 1.94 0.00 3.25 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 141 V 7.46 3.48 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 0.96 0.00 0.00 0.95 0.00 0.00 142 A 7.68 4.63 1.01 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 0.00 0.00 143 K 7.76 4.25 0.00 1.59 1.77 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.77 1.46 7.81 144 R 7.55 4.30 0.00 1.89 1.92 0.00 3.10 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.60 0.00 145 D 8.41 4.47 0.00 2.67 2.73 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 0.00 146 K 7.88 4.02 0.00 1.80 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.81 3.73 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 0.00 148 S 7.16 4.52 0.00 3.84 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 0.00 149 R 8.88 4.63 0.00 1.84 1.72 0.00 3.12 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 150 S 8.57 4.35 0.00 3.91 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 0.00 151 I 8.29 3.92 1.98 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.13 1.05 0.00 0.00 152 P 0.00 4.40 0.00 2.21 1.99 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.85 3.93 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 1.23 0.00 0.00 154 K 7.98 4.02 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 7.99 4.62 0.00 3.15 3.46 0.00 5.94 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.27 4.25 0.00 2.10 1.89 0.00 3.41 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.75 0.00 157 L 8.15 4.54 0.00 1.66 1.73 0.89 0.53 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 0.00 158 N 8.18 4.74 0.00 3.14 2.72 0.00 0.00 6.61 7.91 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 0.00 159 P 0.00 4.32 0.00 2.15 2.23 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.45 0.00 160 A 7.88 3.86 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 0.00 161 D 8.19 4.43 0.00 2.71 2.76 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 0.00 162 A 7.66 4.24 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 0.00 0.00 0.00 0.00 0.00 163 V 7.54 3.19 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 0.73 0.00 0.00 0.25 0.00 0.00 164 A 7.96 3.90 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 0.00 165 F 7.72 4.15 0.00 3.08 3.39 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 0.00 166 I 7.86 3.49 1.85 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.96 0.88 0.00 0.00 167 E 8.16 4.44 0.00 1.90 2.12 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 2.27 2.19 0.00 168 S 8.03 4.54 0.00 3.85 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 0.00 169 T 7.88 4.77 4.18 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 1.17 0.00 0.00 170 Y 7.93 3.39 0.00 3.02 3.13 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 0.00 171 D 6.87 4.41 0.00 2.87 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 0.00 172 V 8.00 4.75 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 0.84 0.00 0.00 0.89 0.00 0.00 173 E 9.03 4.37 0.00 1.97 1.42 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 2.42 2.20 0.00 174 V 7.73 3.95 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 0.99 0.00 0.00 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.