NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 K 4.3823 8.2993 122.1462 53.6183 34.2807 175.6394 29 V 4.5673 7.7343 117.4425 58.9811 33.9057 170.2230 30 V 4.4935 9.2873 125.0483 60.9448 34.8915 175.0110 31 K 5.2833 8.8922 129.0120 54.7129 34.8812 174.6759 32 F 5.2033 8.6266 121.0337 56.1373 41.8533 172.6709 33 S 4.8673 8.5985 112.7499 57.1973 66.4194 172.5640 34 Y 4.5727 8.2740 120.7207 56.1867 42.2047 172.9936 35 M 4.9222 7.9456 126.0679 53.6216 34.1981 174.3861 36 W 4.8905 9.1852 135.0000 56.1382 33.0323 174.2816 37 T 4.8582 8.7907 124.3729 62.0720 69.8289 174.1663 38 I 4.2318 8.5691 128.5147 59.5984 38.6634 175.2584 39 N 4.7817 8.8380 124.6900 52.8340 39.9999 174.5621 40 N 4.6082 8.7891 114.6725 53.0553 36.6521 176.5470 41 F 4.0868 8.6908 122.2182 61.2984 39.8228 177.0114 42 S 4.0964 8.5550 113.9957 60.4346 62.7792 174.8781 43 F 4.3014 7.8444 118.3294 57.7082 39.1900 175.7553 44 C 3.8346 7.4750 119.1043 60.8269 28.0599 173.9278 45 R 4.4158 7.8209 122.9096 55.6589 30.1351 176.4705 46 E 4.1255 8.0047 118.6526 56.9463 29.8122 176.9291 47 E 4.3939 9.1640 123.9070 54.5400 31.2077 175.1523 48 M 4.3516 7.8708 118.2705 57.1106 32.1822 176.1537 49 G 4.0680 9.2018 115.1504 45.3377 0.0000 173.5195 50 E 4.3817 8.2906 120.0372 55.7386 30.4111 175.7159 51 V 4.8443 8.1553 120.8064 60.0289 34.6250 174.6190 52 I 4.7917 9.0161 123.7831 59.5089 39.7154 174.6973 53 K 5.1353 8.7746 126.0557 55.0809 34.8448 176.2140 54 S 4.0309 7.9839 117.8580 57.2593 64.1140 173.9929 55 S 4.2631 8.3049 116.3001 58.5858 63.1519 174.5529 56 T 4.4450 8.0206 112.8006 61.8559 69.7650 173.2658 57 F 5.1463 8.5901 117.7309 56.0245 42.1938 172.7731 58 S 4.6676 8.4148 112.7208 57.6680 65.4946 174.0776 59 S 3.6784 8.2772 115.8579 61.6556 63.0082 176.2871 *64 K 4.1983 7.7963 119.1542 53.0106 33.5678 176.9850 65 L 4.6432 7.6845 120.2258 55.2607 43.1884 176.8998 66 K 4.6435 8.3114 124.8018 53.1874 35.7123 175.1183 67 W 5.0698 8.7171 124.1176 54.1834 33.3524 174.0041 68 C 4.9208 8.9466 115.7001 57.1906 33.2606 172.6047 69 L 5.2216 8.8674 119.4940 53.1510 44.2032 176.0379 70 R 5.3644 8.8478 117.5788 54.5481 32.9366 174.3385 71 V 5.0583 9.4471 122.0642 60.0987 35.1249 174.4197 72 N 5.3809 9.1346 121.3609 50.3984 39.1754 173.8322 73 P 4.5324 0.0000 0.0000 64.7270 31.7462 177.6347 74 K 4.5410 7.9996 117.4771 55.8639 33.0145 176.9676 75 G 4.4190 7.7686 103.4850 44.9744 0.0000 175.3902 76 L 4.0510 8.5582 120.8658 57.5250 42.5768 175.7579 77 D 4.6615 8.1219 116.2618 52.1111 42.4906 175.1665 78 E 3.9466 8.9909 118.8921 59.5129 29.5400 178.5632 79 E 4.0123 7.8181 118.4082 58.4133 29.9789 177.3630 80 S 4.9458 8.3477 114.4449 58.4366 63.2637 176.7068 81 K 4.2955 7.9093 124.8308 57.9745 31.5524 180.9771 82 D 4.8042 8.2586 115.6093 54.8487 41.2844 174.9434 83 Y 5.2617 8.0502 117.0621 55.9464 42.7484 174.5590 84 L 4.7690 9.0496 121.9642 54.9289 43.1970 176.1439 85 S 5.4876 8.9804 119.7960 57.0334 65.4379 173.0256 86 L 5.0818 8.7481 125.5905 53.6485 45.1901 174.7223 87 Y 5.2527 9.0699 122.7444 56.1814 42.8471 173.7798 88 L 5.1316 9.1554 124.1872 53.5491 44.3475 174.7512 89 L 5.2523 9.2163 128.4430 53.1875 45.0463 174.8168 90 L 3.8098 8.8044 128.8552 54.2857 42.1682 177.0807 91 V 3.6091 8.2042 128.0717 65.2945 32.3566 176.6435 92 S 4.7410 7.2212 114.7727 57.3634 67.3481 173.2993 93 C 4.4079 8.6382 124.7049 59.4167 34.5247 173.3510 *95 K 4.1428 8.3931 122.9462 54.8769 32.6237 172.6411 96 S 4.3460 8.7382 117.5663 62.4988 62.4802 175.9069 97 E 5.1460 7.5385 114.8005 55.7896 33.5833 177.5705 98 V 4.6793 9.0268 112.3123 60.4816 36.2632 174.7928 99 R 5.4144 8.8257 122.5999 54.6875 32.3688 174.9891 100 A 5.2034 9.4439 125.2815 50.2706 22.8320 175.0270 101 K 4.9072 8.9883 121.1426 55.4439 34.5742 175.7570 102 F 5.3331 8.0337 116.4575 55.6035 41.9399 173.0576 103 K 4.9262 9.0414 120.3703 54.9239 35.7547 174.8478 104 F 5.9205 9.1772 125.5937 56.1233 42.5076 174.4209 105 S 5.3666 9.5234 115.8407 57.5304 67.3731 172.2940 106 I 4.9830 8.8250 120.7443 59.5850 39.4351 175.2221 107 L 4.8900 8.7319 127.6278 53.9773 42.8348 176.9950 108 N 4.6614 8.8238 121.0317 51.4956 39.2262 175.5315 109 A 3.9083 8.5746 122.3782 55.2017 18.4034 178.9962 110 K 4.2539 8.2115 115.4282 54.0507 32.0951 182.7917 111 G 3.8749 8.4423 109.3022 47.1793 0.0000 174.5939 112 E 4.2030 8.3014 116.5147 55.0518 30.4849 180.5499 113 E 4.6109 8.4619 122.4105 55.9450 30.4815 176.1633 114 T 4.6243 8.5146 116.5017 60.8264 71.0224 172.8950 115 K 3.7440 8.5356 120.4786 57.2646 29.6388 175.5877 116 A 4.7336 7.8085 118.3262 52.1385 19.7825 178.0562 117 M 4.7449 9.2259 120.1030 53.2828 35.7881 174.6276 118 E 5.1301 8.3930 119.3378 54.1488 32.5112 175.5727 119 S 4.0415 8.3582 116.7850 58.5393 63.5294 175.0050 120 Q 4.0170 8.5777 120.9070 56.7871 29.0301 174.9295 121 R 4.5879 7.0593 113.7995 54.7946 32.8455 174.4053 122 A 4.4152 8.3557 120.8686 52.1941 19.2803 176.5559 123 Y 4.0591 9.0279 118.5428 55.8044 41.2940 175.2639 124 R 4.8069 8.3642 123.2995 56.1208 30.7320 175.3370 125 F 5.1560 9.8267 126.3679 56.1764 41.7045 175.5517 126 V 4.8838 8.2257 114.1480 58.8239 36.2441 174.7296 127 Q 3.9041 8.5914 122.6703 58.3641 28.8344 176.8359 128 G 3.8523 9.4921 114.0457 44.9291 0.0000 172.3674 129 K 4.5223 8.0950 121.7516 54.6835 34.0226 175.0068 130 D 5.7981 8.2257 125.1892 51.6753 42.6139 175.0079 131 W 5.1099 8.8761 118.0752 55.0565 33.6931 175.5469 132 G 3.6714 7.7654 108.6770 46.2792 0.0000 172.3256 133 F 4.7661 7.7494 121.6755 55.3282 41.1838 175.9716 134 K 4.0205 8.9571 127.8721 58.5009 32.8461 177.1799 135 K 4.4645 7.6006 116.1870 54.9822 32.0402 175.5574 136 F 4.4701 8.8955 124.0414 60.9130 40.3433 175.1339 137 I 4.4354 7.5560 118.2638 58.2486 40.9042 173.1857 138 R 3.8748 8.5428 126.8567 56.0552 31.1522 177.5217 139 R 4.1105 8.7607 126.3071 59.5856 29.9938 179.3385 140 G 3.6208 7.9182 103.3414 46.7157 0.0000 175.0726 141 F 4.3837 8.0098 122.7306 60.9357 39.5819 177.0983 142 L 3.6814 7.7758 118.4525 57.9912 42.0506 178.3398 143 L 4.4324 7.8639 116.1977 54.8516 42.0780 176.4601 144 D 4.4616 7.6174 122.6704 53.4885 40.8049 177.2632 *145 E 4.0290 8.6668 124.0197 58.5178 30.0554 175.7973 146 A 3.9964 7.6343 120.1841 55.5201 18.3909 178.3400 147 N 4.3262 7.9141 111.7717 54.1374 38.5879 175.9580 148 G 3.8247 8.0600 106.4390 46.3264 0.0000 174.2273 149 L 4.5131 7.7746 116.4884 54.2038 43.1873 176.5431 150 L 5.3027 7.5031 117.4215 51.7167 42.3897 174.7206 151 P 4.4562 0.0000 0.0000 64.5690 32.3023 177.5292 152 D 4.3234 9.4014 119.7610 54.0524 36.9889 170.2344 153 D 4.5594 8.2453 116.2940 56.0566 40.3872 172.4514 154 K 4.8841 7.8488 115.8721 53.9596 35.1348 174.9039 155 L 4.5674 8.6390 126.9679 53.8211 43.8884 175.0129 156 T 4.9406 8.3749 122.9326 62.0081 70.7903 173.2085 157 L 5.1867 8.9561 127.3885 53.1692 44.6168 175.5841 158 F 5.3730 9.3474 123.9080 56.6698 42.7724 172.9030 159 C 5.4081 8.5449 126.2255 57.5701 34.5773 172.1422 160 E 4.7714 9.0688 125.1076 54.3788 32.4840 175.0728 161 V 4.6855 8.4477 123.9130 60.7549 35.1039 174.2014 162 S 5.0297 8.8896 121.6103 56.5328 65.8921 172.6982 163 V 4.8368 9.2384 127.6173 61.7019 33.6255 176.5324 *164 V 4.1674 7.9671 125.8433 61.6181 32.2004 172.2883 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 28 K 8.30 4.38 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 29 V 7.73 4.57 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 0.86 0.00 0.00 0.96 0.00 0.00 30 V 9.29 4.49 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 1.04 0.00 0.00 1.00 0.00 0.00 31 K 8.89 5.28 0.00 1.79 1.68 0.00 1.83 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.46 7.81 32 F 8.63 5.20 0.00 3.22 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 33 S 8.60 4.87 0.00 3.20 3.68 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 34 Y 8.27 4.57 0.00 1.56 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 35 M 7.95 4.92 0.00 1.94 2.08 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 2.58 2.51 0.00 36 W 9.19 4.89 0.00 3.48 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 37 T 8.79 4.86 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 38 I 8.57 4.23 1.65 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.99 0.00 0.00 39 N 8.84 4.78 0.00 2.65 2.78 0.00 0.00 7.27 8.00 0.00 0.00 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 N 8.79 4.61 0.00 2.96 3.01 0.00 0.00 7.24 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 41 F 8.69 4.09 0.00 3.07 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 42 S 8.56 4.10 0.00 3.79 4.03 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 43 F 7.84 4.30 0.00 3.23 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 44 C 7.47 3.83 0.00 2.58 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 45 R 7.82 4.42 0.00 1.98 1.95 0.00 3.19 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 46 E 8.00 4.13 0.00 1.93 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 2.36 2.43 0.00 47 E 9.16 4.39 0.00 2.00 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 2.29 2.39 0.00 48 M 7.87 4.35 0.00 2.00 2.05 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 2.77 2.58 0.00 49 G 9.20 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 0.00 0.00 0.00 50 E 8.29 4.38 0.00 2.19 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 2.33 2.26 0.00 51 V 8.16 4.84 2.13 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 0.78 0.00 0.00 1.06 0.00 0.00 52 I 9.02 4.79 2.15 0.00 0.00 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 1.47 0.93 1.24 0.00 0.00 53 K 8.77 5.14 0.00 1.67 1.79 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.39 7.81 54 S 7.98 4.03 0.00 2.89 2.63 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 55 S 8.30 4.26 0.00 3.95 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 56 T 8.02 4.45 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 1.09 0.00 0.00 57 F 8.59 5.15 0.00 3.07 2.67 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 58 S 8.41 4.67 0.00 3.80 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 59 S 8.28 3.68 0.00 3.80 3.02 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 *64 K 7.80 4.20 0.00 1.82 1.80 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 65 L 7.68 4.64 0.00 1.46 1.28 0.87 0.83 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 66 K 8.31 4.64 0.00 1.40 1.61 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.25 7.81 67 W 8.72 5.07 0.00 1.78 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 68 C 8.95 4.92 0.00 2.84 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 69 L 8.87 5.22 0.00 0.96 1.55 1.06 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.85 5.36 0.00 1.95 2.01 0.00 2.67 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.78 0.00 71 V 9.45 5.06 2.28 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 1.09 0.00 0.00 1.09 0.00 0.00 72 N 9.13 5.38 0.00 2.82 3.02 0.00 0.00 6.89 8.75 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 73 P 0.00 4.53 0.00 2.02 2.02 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 74 K 8.00 4.54 0.00 1.81 1.80 0.00 1.95 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.39 7.81 75 G 7.77 4.42 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 0.00 0.00 0.00 76 L 8.56 4.05 0.00 1.79 1.83 0.89 1.18 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 77 D 8.12 4.66 0.00 2.96 2.78 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 0.00 0.00 0.00 0.00 78 E 8.99 3.95 0.00 2.10 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 2.41 2.41 0.00 79 E 7.82 4.01 0.00 1.86 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 2.37 2.30 0.00 80 S 8.35 4.95 0.00 4.29 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 81 K 7.91 4.30 0.00 1.75 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.29 7.81 82 D 8.26 4.80 0.00 2.59 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 0.00 0.00 0.00 0.00 83 Y 8.05 5.26 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 84 L 9.05 4.77 0.00 1.93 1.85 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.98 5.49 0.00 4.07 4.03 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 86 L 8.75 5.08 0.00 1.47 1.12 0.80 -0.12 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 87 Y 9.07 5.25 0.00 2.89 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 88 L 9.16 5.13 0.00 1.92 1.63 1.09 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.22 5.25 0.00 1.76 1.63 0.94 0.33 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 90 L 8.80 3.81 0.00 1.24 1.60 -0.42 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.20 3.61 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 0.67 0.00 0.00 0.78 0.00 0.00 92 S 7.22 4.74 0.00 3.55 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 93 C 8.64 4.41 0.00 2.63 2.63 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 *95 K 8.39 4.14 0.00 1.84 1.62 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 96 S 8.74 4.35 0.00 3.62 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 97 E 7.54 5.15 0.00 1.70 1.68 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 2.14 1.90 0.00 98 V 9.03 4.68 2.28 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 0.72 0.00 0.00 1.10 0.00 0.00 99 R 8.83 5.41 0.00 1.83 1.90 0.00 3.11 0.00 0.00 3.36 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 100 A 9.44 5.20 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 0.00 101 K 8.99 4.91 0.00 1.68 1.62 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.37 7.81 102 F 8.03 5.33 0.00 2.96 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 0.00 103 K 9.04 4.93 0.00 1.73 1.59 0.00 1.57 0.00 0.00 1.87 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.50 7.81 104 F 9.18 5.92 0.00 2.97 2.65 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 0.00 105 S 9.52 5.37 0.00 4.13 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 0.00 106 I 8.82 4.98 1.94 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 1.44 0.97 0.98 0.00 0.00 107 L 8.73 4.89 0.00 1.48 1.53 0.72 1.24 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 0.00 108 N 8.82 4.66 0.00 2.92 2.98 0.00 0.00 6.64 7.85 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 0.00 109 A 8.57 3.91 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 0.00 110 K 8.21 4.25 0.00 1.78 1.70 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 0.99 7.81 111 G 8.44 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 0.00 112 E 8.30 4.20 0.00 1.91 1.83 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 2.24 2.15 0.00 113 E 8.46 4.61 0.00 1.97 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 2.33 2.21 0.00 114 T 8.51 4.62 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 1.34 0.00 0.00 115 K 8.54 3.74 0.00 1.81 1.59 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.37 7.81 116 A 7.81 4.73 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.23 4.74 0.00 0.51 1.21 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 118 E 8.39 5.13 0.00 1.78 1.79 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 2.09 2.35 0.00 119 S 8.36 4.04 0.00 3.65 2.63 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 0.00 120 Q 8.58 4.02 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 121 R 7.06 4.59 0.00 1.76 1.74 0.00 2.66 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.00 122 A 8.36 4.42 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 0.00 123 Y 9.03 4.06 0.00 2.52 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 0.00 124 R 8.36 4.81 0.00 1.87 1.98 0.00 3.27 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 125 F 9.83 5.16 0.00 3.31 3.03 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 0.00 126 V 8.23 4.88 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 0.87 0.00 0.00 0.94 0.00 0.00 127 Q 8.59 3.90 0.00 1.92 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.76 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 128 G 9.49 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 0.00 0.00 0.00 129 K 8.09 4.52 0.00 1.86 1.94 0.00 1.01 0.00 0.00 1.47 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 0.95 7.81 130 D 8.23 5.80 0.00 2.86 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 0.00 131 W 8.88 5.11 0.00 2.98 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 0.00 132 G 7.77 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 0.00 0.00 0.00 133 F 7.75 4.77 0.00 3.28 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 0.00 134 K 8.96 4.02 0.00 1.85 1.90 0.00 1.89 0.00 0.00 1.97 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.66 7.81 135 K 7.60 4.46 0.00 1.41 0.74 0.00 1.11 0.00 0.00 1.35 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.65 1.15 7.81 136 F 8.90 4.47 0.00 3.28 3.44 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 0.00 137 I 7.56 4.44 1.51 0.00 0.00 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 1.44 1.16 1.07 0.00 0.00 138 R 8.54 3.87 0.00 1.83 1.79 0.00 3.20 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.16 0.00 139 R 8.76 4.11 0.00 1.85 2.00 0.00 3.35 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 140 G 7.92 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.01 4.38 0.00 3.10 3.20 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 0.00 142 L 7.78 3.68 0.00 1.76 1.73 0.82 0.77 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 0.00 143 L 7.86 4.43 0.00 1.73 1.67 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.62 4.46 0.00 2.54 2.59 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 0.00 0.00 0.00 0.00 *145 E 8.67 4.03 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 2.31 1.88 0.00 146 A 7.63 4.00 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 0.00 147 N 7.91 4.33 0.00 2.30 2.39 0.00 0.00 7.04 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 0.00 148 G 8.06 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 0.00 149 L 7.77 4.51 0.00 1.47 1.62 1.11 0.96 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 0.00 150 L 7.50 5.30 0.00 1.61 1.56 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 151 P 0.00 4.46 0.00 2.20 2.16 0.00 3.96 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 152 D 9.40 4.32 0.00 2.87 2.64 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 0.00 153 D 8.25 4.56 0.00 3.00 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 0.00 154 K 7.85 4.88 0.00 1.85 1.65 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.55 7.81 155 L 8.64 4.57 0.00 1.08 1.06 0.67 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 156 T 8.37 4.94 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 1.21 0.00 0.00 157 L 8.96 5.19 0.00 1.69 1.62 0.77 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 158 F 9.35 5.37 0.00 3.06 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 0.00 159 C 8.54 5.41 0.00 3.03 2.59 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 0.00 0.00 0.00 0.00 160 E 9.07 4.77 0.00 1.81 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 0.00 1.95 1.82 0.00 161 V 8.45 4.69 0.67 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 0.26 0.00 0.00 0.44 0.00 0.00 162 S 8.89 5.03 0.00 3.85 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 0.00 163 V 9.24 4.84 2.27 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 1.16 0.00 0.00 1.20 0.00 0.00 *164 V 7.97 4.17 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 0.75 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.