NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3118 8.1733 120.0733 56.2008 34.8156 174.6819 3 T 4.8078 8.4896 116.9812 61.2851 71.2287 171.6585 4 I 4.7273 8.8616 127.0541 59.5087 41.1594 173.7647 5 C 5.4665 8.6441 127.6269 57.8850 32.5520 172.3217 6 V 5.2780 8.6911 125.9591 60.2590 33.9228 174.5207 7 F 5.1979 7.4624 119.6943 55.6763 41.4956 173.0239 8 A 4.7276 8.5622 121.7132 50.6027 22.8504 175.7940 9 G 3.6146 8.6528 107.3857 46.0339 0.0000 175.2455 10 S 4.3310 8.4743 117.1982 59.9466 63.4296 174.5345 11 N 4.8271 7.6558 116.8492 51.3986 39.9006 173.5145 12 P 4.2430 0.0000 0.0000 64.5831 31.7455 178.4867 13 G 3.9250 8.1017 101.5950 45.0546 0.0000 172.4162 14 G 3.6040 7.8361 107.8366 47.6448 0.0000 173.2428 15 N 4.2559 8.2278 116.1757 53.2596 39.8414 175.8216 16 E 4.3263 8.7362 122.0503 57.7895 30.0455 178.6727 17 A 3.9178 9.2327 124.0147 55.2224 18.3037 179.3118 18 Y 4.0386 7.1354 114.0560 61.2521 37.8084 178.2639 19 K 3.9385 8.2091 120.0251 59.5812 32.1412 178.5180 20 R 3.9234 8.0548 118.7491 59.5637 30.1043 178.5264 21 K 3.9316 8.5499 118.4500 59.5030 31.9772 179.2215 22 A 4.0613 8.3285 120.7877 55.1558 18.3220 179.5291 23 A 3.9300 7.7671 119.2112 55.1044 18.4302 179.2536 24 E 3.8818 8.3782 118.0671 59.6674 29.5248 179.0494 25 L 4.1079 8.0692 118.7592 57.6604 42.0424 179.0085 26 G 3.6571 7.7082 105.3174 47.8505 0.0000 175.8903 27 V 3.8346 8.1547 116.1082 63.9107 31.1489 178.6330 28 Y 4.5915 8.1003 118.1116 57.5639 38.8203 177.7461 *30 A 4.1960 7.9283 121.8016 51.8362 20.9451 179.5641 31 E 3.8586 8.1375 115.1294 59.8772 29.4689 179.5056 32 Q 3.9435 7.7343 114.7218 56.4327 28.5421 176.9486 33 G 3.7446 7.8817 106.2863 46.3446 0.0000 173.4871 34 I 4.3128 7.5719 120.7367 59.4495 37.8631 176.3282 35 G 3.7815 9.0310 115.5533 46.1183 0.0000 171.4898 36 L 5.3642 9.0683 123.8235 52.9207 45.1002 175.6568 37 V 5.2575 8.4947 124.4815 60.5044 34.5946 174.0892 38 Y 5.0920 9.3299 123.3269 56.0827 41.0750 175.4363 39 G 3.4495 8.8913 106.8524 46.9700 0.0000 174.7029 40 G 3.2594 6.1512 107.4312 44.5454 0.0000 173.6019 41 S 4.1586 7.5588 113.3790 58.8881 62.6515 174.1061 42 R 4.6146 8.5807 123.3989 55.9881 30.8419 175.9732 43 V 4.4449 7.5644 111.2775 59.6294 35.3496 177.4274 44 G 3.7756 8.5010 108.8029 46.4545 0.0000 176.3114 45 L 4.1205 7.6150 118.1992 54.6113 41.4104 179.7516 *47 G 3.9033 8.3087 108.7732 46.1186 0.0000 175.9453 48 T 3.8167 7.7582 116.8747 66.5759 68.5508 176.5722 49 I 3.5747 7.8240 120.0109 63.7409 37.6715 178.0009 50 A 3.6940 7.5772 120.6315 55.0687 18.4422 178.7051 51 D 4.4124 8.0924 115.9034 57.5389 41.0398 178.4122 52 A 4.2104 7.8590 120.2118 55.2288 18.6655 181.0886 53 I 3.9121 7.5013 110.9519 61.1815 37.8293 176.8601 *55 E 4.2931 7.9804 118.5810 56.9008 30.8179 174.8132 56 N 4.9573 7.5315 113.4236 53.1019 39.8671 174.8225 57 G 3.8790 8.5832 103.2373 46.3799 0.0000 174.9769 58 G 3.9909 8.1285 107.8778 45.4277 0.0000 173.1909 59 T 4.8675 8.3445 114.6813 61.5816 72.3938 173.3504 60 A 5.0457 9.0146 127.1233 50.3456 22.4500 174.5508 61 I 4.9225 9.6096 125.0734 59.5435 40.1584 174.9972 62 G 4.1764 8.9051 113.9535 44.4298 0.0000 172.1652 63 V 4.9266 8.5029 126.3175 60.3119 33.5260 173.0312 *65 P 4.3401 0.0000 0.0000 62.1647 32.0902 176.9969 66 S 4.3494 8.6574 118.2621 61.5025 63.0274 176.6101 67 G 3.7980 7.9401 107.2373 45.5534 0.0000 173.4100 68 L 4.3461 7.7201 119.8141 54.4460 42.3510 177.1274 69 F 4.9983 8.7452 120.6887 56.4034 40.7476 177.2183 70 S 4.2630 8.9205 119.0527 62.1109 62.4099 177.3337 71 G 3.7156 8.1646 105.3487 46.6740 0.0000 174.2254 72 E 4.4226 8.3998 119.5964 56.9887 30.2276 177.2024 73 V 4.1851 7.3978 117.9245 63.8745 32.8174 177.3272 74 V 3.6072 7.8555 117.9033 64.3409 30.9757 176.3956 75 H 4.8651 7.8580 114.3789 55.4127 29.7339 174.8252 76 Q 4.2252 8.1616 119.7812 56.1208 29.0434 176.1263 77 N 4.9615 8.4639 118.9949 51.1269 39.0004 172.6725 78 L 4.9686 7.7588 120.2185 52.3437 45.3104 177.1617 79 T 4.1357 8.5264 118.8465 66.6162 69.1362 174.4441 80 E 4.7377 7.8355 119.6733 54.9351 33.2860 173.9057 81 L 5.1186 8.4736 126.7176 53.5655 44.3696 175.2112 82 I 4.4933 8.5919 127.7549 59.8055 39.3230 174.7200 83 E 4.7787 8.7200 125.6712 54.9970 31.5241 175.7016 84 V 4.5742 8.0645 114.7577 59.7606 36.7242 174.1935 85 N 4.9380 8.8911 120.6096 53.3898 39.9316 175.2636 86 G 3.9020 8.2105 111.6638 45.8274 0.0000 174.4776 *88 H 4.6469 8.8057 120.2249 56.0571 31.5185 175.0288 89 E 3.9257 8.0884 118.2578 59.3077 28.9567 179.2967 90 R 3.8846 7.4684 117.4885 59.2625 30.2639 178.4251 91 K 4.0921 7.8930 116.4695 59.4174 32.4273 178.6678 92 A 4.1102 8.0044 121.1004 54.8394 18.2057 179.9321 93 K 4.0229 7.8380 114.4795 57.5913 31.8224 178.5802 *95 S 4.6683 8.0012 115.7320 58.2107 64.7422 175.8437 96 E 3.9414 8.5974 120.2495 58.8057 29.4200 177.5540 97 L 4.2242 7.9170 116.7241 55.3303 42.2877 176.4223 98 A 4.6719 7.2173 121.6851 50.8135 20.3550 176.5092 99 D 4.5754 8.6972 120.7914 55.3405 42.2981 176.3234 100 G 3.9129 7.1884 104.0986 45.2301 0.0000 171.5816 101 F 5.6200 8.8708 117.6094 55.6328 42.9966 174.8771 102 I 4.6862 8.5388 122.5146 59.6915 41.3458 174.6642 103 S 4.7792 8.2716 120.6824 54.8346 66.0819 170.5047 *105 P 3.2232 0.0000 0.0000 61.9883 32.5829 176.5338 106 G 4.2628 6.4539 109.1002 44.8278 0.0000 174.4110 107 G 3.9357 7.3874 107.7971 44.1561 0.0000 175.9601 108 F 4.6520 8.4932 119.4766 60.7583 39.0130 177.6028 109 G 3.6152 8.1396 104.6942 48.2680 0.0000 175.8227 110 T 4.0578 7.7885 118.3235 66.4557 68.4974 176.2809 111 Y 4.1793 8.0121 118.7607 60.8103 37.7510 178.2580 112 E 4.1388 8.2720 120.4103 59.3768 29.8748 178.7575 113 E 3.6930 7.9420 117.5385 58.9543 29.3406 178.9153 114 L 3.8947 7.8426 121.3435 58.2320 42.1918 179.0127 115 F 4.4703 8.4279 118.0027 60.5894 38.5449 177.6180 116 E 4.0531 8.2642 118.0305 59.2723 29.6647 179.2989 117 V 3.6766 7.7572 118.1857 66.0878 31.6239 177.8905 118 L 4.0419 8.1228 118.7859 57.9507 41.2411 178.8898 119 C 3.6945 7.9578 117.9776 61.9623 31.4151 174.8189 120 W 4.6907 7.6430 115.7830 56.3462 28.5300 177.0683 121 A 4.1143 8.1897 122.1490 56.1912 18.0008 180.0180 122 Q 4.7038 7.7716 119.1259 53.9229 27.3736 175.0983 123 I 4.2999 8.0247 119.1891 60.7200 41.0667 175.6122 124 G 3.9304 8.6016 115.3073 44.9937 0.0000 172.5295 125 I 3.9810 8.1844 116.7826 62.6697 38.5500 175.5213 126 H 4.7504 7.9550 117.7670 54.6985 27.7416 173.5909 127 Q 4.7074 8.4379 123.5287 54.0179 30.5367 175.2139 128 K 4.8002 8.4341 121.7849 54.0829 34.3772 174.6061 129 P 4.4428 0.0000 0.0000 62.7317 33.3020 174.8202 130 I 5.0519 8.9201 121.8232 59.6032 40.4243 174.8024 131 G 4.3686 10.1467 114.3286 44.4039 0.0000 172.4653 132 L 4.4252 9.1820 124.4821 52.5265 43.7851 175.4828 133 Y 4.6521 8.4267 127.2328 56.5319 37.0986 177.4470 134 N 5.0500 8.9428 127.1809 51.9258 38.8096 174.8095 135 V 3.4331 8.4298 117.2005 64.3854 31.7937 175.4785 136 N 4.3207 9.4415 122.6367 53.8369 36.2146 174.1043 137 G 4.5493 8.8187 104.8383 46.4020 0.0000 176.0139 138 Y 3.8008 8.2028 122.6294 60.4711 38.6518 177.2381 139 F 4.8481 8.3479 114.6734 57.8038 39.1799 176.3207 140 E 4.1880 8.2521 122.7386 59.2178 29.3783 177.0089 141 P 4.4766 0.0000 0.0000 62.8633 28.7103 176.0798 *144 K 4.1484 7.9295 118.6486 56.1054 34.2269 178.0245 *146 V 4.1561 7.6877 121.0889 63.0049 33.4171 177.7690 147 K 4.0773 8.0878 118.7776 59.5577 31.8381 178.4822 148 Y 4.1478 8.1665 119.9239 60.7161 38.6554 178.1300 149 S 4.1626 8.1129 113.6514 61.4383 62.5788 176.1180 150 I 4.4882 7.7220 123.9051 64.0065 36.6474 178.1531 151 Q 3.9310 8.3385 119.6507 58.9615 28.9224 177.3132 152 E 4.1846 7.9878 116.9647 55.6664 29.5642 176.8762 153 G 3.6901 7.6413 106.8001 46.5374 0.0000 174.9323 154 F 4.6059 8.0916 119.2070 57.6199 40.2325 176.6091 155 S 4.7475 7.6470 115.7791 56.3614 66.2496 173.3902 156 N 4.7795 8.6863 121.1071 53.1915 39.1149 176.1813 157 E 4.1632 8.6703 119.6215 59.4356 30.2058 179.8906 158 S 4.1176 7.7486 112.3279 62.0240 62.3879 175.9951 159 H 3.8454 8.1000 118.5442 59.2394 28.2122 177.1442 160 L 4.1415 7.9493 120.8560 57.2727 41.6221 178.9620 161 K 4.2763 8.7307 119.1059 59.4028 32.4402 178.8216 162 L 4.4131 7.7562 119.5489 55.6825 41.6390 176.8442 163 I 4.6625 6.6208 119.9849 60.9141 38.3704 175.3559 164 H 4.9848 9.1053 122.1572 54.1643 33.0019 172.2556 165 S 5.2569 8.6184 116.9385 56.7212 65.1727 172.7593 166 S 4.6762 8.7630 118.9038 57.8570 65.9089 174.8484 167 S 4.4546 8.8524 117.9358 58.1775 62.9791 174.2866 168 R 4.6381 7.6035 119.6208 54.2352 32.6054 173.8755 169 P 4.2062 0.0000 0.0000 66.0013 31.3076 177.9943 170 D 4.0608 7.2496 118.1047 55.8938 39.0217 178.2832 171 E 3.9510 7.9580 120.1420 58.4111 29.5094 178.2130 172 L 3.9540 7.9447 119.8576 58.4456 42.3587 178.8852 173 I 3.8139 7.6962 118.1711 64.1976 37.2628 177.8183 174 E 4.1766 7.9678 120.2449 59.0610 29.2172 178.9028 175 Q 4.1232 7.7657 115.4830 56.4143 28.9509 177.0140 *177 Q 4.3139 8.0658 123.3191 56.6401 30.8792 177.2230 178 N 4.0749 8.2022 115.2532 56.7230 39.6905 173.6958 179 Y 4.2465 8.4639 120.7255 58.3765 37.8936 175.8327 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 2 K 8.17 4.31 0.00 1.78 1.87 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.44 7.81 3 T 8.49 4.81 4.35 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 1.21 0.00 0.00 4 I 8.86 4.73 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.10 0.78 0.00 0.00 5 C 8.64 5.47 0.00 3.09 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 6 V 8.69 5.28 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 0.58 0.00 0.00 0.77 0.00 0.00 7 F 7.46 5.20 0.00 3.36 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 8 A 8.56 4.73 1.21 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 0.00 0.00 0.00 9 G 8.65 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.33 0.00 3.88 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 11 N 7.66 4.83 0.00 2.64 2.70 0.00 0.00 6.97 8.02 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 12 P 0.00 4.24 0.00 2.05 2.11 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 13 G 8.10 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 14 G 7.84 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 0.00 0.00 0.00 15 N 8.23 4.26 0.00 2.69 2.43 0.00 0.00 6.71 7.65 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 16 E 8.74 4.33 0.00 2.27 2.17 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 2.34 2.40 0.00 17 A 9.23 3.92 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 18 Y 7.14 4.04 0.00 3.06 2.90 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 19 K 8.21 3.94 0.00 1.87 1.84 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.54 7.81 20 R 8.05 3.92 0.00 2.02 2.03 0.00 3.14 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 21 K 8.55 3.93 0.00 2.04 1.96 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.42 7.81 22 A 8.33 4.06 1.45 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 23 A 7.77 3.93 1.40 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 0.00 0.00 0.00 24 E 8.38 3.88 0.00 2.09 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 0.00 2.35 2.36 0.00 25 L 8.07 4.11 0.00 1.15 1.61 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.71 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 27 V 8.15 3.83 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 1.10 0.00 0.00 28 Y 8.10 4.59 0.00 3.13 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 *30 A 7.93 4.20 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 31 E 8.14 3.86 0.00 2.00 1.93 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 2.30 2.51 0.00 32 Q 7.73 3.94 0.00 1.66 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 1.39 1.66 0.00 33 G 7.88 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 34 I 7.57 4.31 1.76 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 1.18 0.46 0.91 0.00 0.00 35 G 9.03 3.78 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 0.00 0.00 0.00 36 L 9.07 5.36 0.00 1.59 1.54 0.76 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.49 5.26 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 0.78 0.00 0.00 1.01 0.00 0.00 38 Y 9.33 5.09 0.00 3.06 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 39 G 8.89 3.45 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 40 G 6.15 3.26 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 0.00 0.00 0.00 41 S 7.56 4.16 0.00 3.89 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 42 R 8.58 4.61 0.00 1.84 1.95 0.00 3.46 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 43 V 7.56 4.44 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 0.70 0.00 0.00 0.99 0.00 0.00 44 G 8.50 3.78 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 0.00 0.00 0.00 45 L 7.61 4.12 0.00 1.82 1.72 0.85 0.99 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 *47 G 8.31 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 48 T 7.76 3.82 4.39 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 1.29 0.00 0.00 49 I 7.82 3.57 1.80 0.00 0.00 0.70 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 1.24 0.83 0.00 0.00 50 A 7.58 3.69 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 51 D 8.09 4.41 0.00 2.77 2.75 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 52 A 7.86 4.21 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 53 I 7.50 3.91 1.80 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0.00 0.00 0.00 0.00 72 E 8.40 4.42 0.00 2.20 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 2.26 2.29 0.00 73 V 7.40 4.19 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 1.20 0.00 0.00 1.02 0.00 0.00 74 V 7.86 3.61 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 0.47 0.00 0.00 0.86 0.00 0.00 75 H 7.86 4.87 0.00 3.18 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.16 4.23 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.10 0.00 0.00 0.00 0.00 0.00 2.55 2.44 0.00 77 N 8.46 4.96 0.00 2.64 2.72 0.00 0.00 6.83 7.78 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 78 L 7.76 4.97 0.00 1.66 1.86 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.53 4.14 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 1.21 0.00 0.00 80 E 7.84 4.74 0.00 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0.00 0.00 0.00 0.00 133 Y 8.43 4.65 0.00 3.04 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 0.00 134 N 8.94 5.05 0.00 3.04 2.84 0.00 0.00 6.78 7.11 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 0.00 135 V 8.43 3.43 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 0.75 0.00 0.00 0.39 0.00 0.00 136 N 9.44 4.32 0.00 2.83 2.94 0.00 0.00 7.09 7.65 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 0.00 137 G 8.82 4.55 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 0.00 138 Y 8.20 3.80 0.00 3.09 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 0.00 139 F 8.35 4.85 0.00 3.34 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 0.00 140 E 8.25 4.19 0.00 2.05 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 2.54 2.45 0.00 141 P 0.00 4.48 0.00 1.93 1.94 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.02 0.00 *144 K 7.93 4.15 0.00 2.07 1.87 0.00 1.63 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.53 7.81 *146 V 7.69 4.16 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 1.08 0.00 0.00 1.08 0.00 0.00 147 K 8.09 4.08 0.00 2.06 1.91 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.56 7.81 148 Y 8.17 4.15 0.00 3.24 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 0.00 149 S 8.11 4.16 0.00 4.02 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 0.00 150 I 7.72 4.49 2.07 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 1.73 0.65 0.92 0.00 0.00 151 Q 8.34 3.93 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.09 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 152 E 7.99 4.18 0.00 2.01 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 1.47 1.92 0.00 153 G 7.64 3.69 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 0.00 0.00 0.00 0.00 0.00 0.00 154 F 8.09 4.61 0.00 3.19 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 0.00 155 S 7.65 4.75 0.00 3.87 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 0.00 156 N 8.69 4.78 0.00 2.75 2.73 0.00 0.00 7.13 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 0.00 157 E 8.67 4.16 0.00 2.00 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 2.28 0.00 158 S 7.75 4.12 0.00 4.21 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 0.00 159 H 8.10 3.85 0.00 3.45 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.95 4.14 0.00 1.78 1.90 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 161 K 8.73 4.28 0.00 1.84 1.91 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.78 7.81 162 L 7.76 4.41 0.00 1.94 1.81 1.08 0.85 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 0.00 163 I 6.62 4.66 1.88 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 1.26 0.71 0.91 0.00 0.00 164 H 9.11 4.98 0.00 3.04 3.17 0.00 5.55 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 0.00 165 S 8.62 5.26 0.00 3.87 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 0.00 166 S 8.76 4.68 0.00 3.96 3.69 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 0.00 0.00 0.00 167 S 8.85 4.45 0.00 3.81 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 0.00 168 R 7.60 4.64 0.00 1.78 1.94 0.00 3.16 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 169 P 0.00 4.21 0.00 1.70 2.04 0.00 3.60 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 170 D 7.25 4.06 0.00 2.72 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 0.00 171 E 7.96 3.95 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 2.54 2.36 0.00 172 L 7.94 3.95 0.00 1.74 1.90 0.97 1.37 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 0.00 173 I 7.70 3.81 2.02 0.00 0.00 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 1.41 0.85 0.94 0.00 0.00 174 E 7.97 4.18 0.00 2.27 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 2.33 2.41 0.00 175 Q 7.77 4.12 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.32 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 *177 Q 8.07 4.31 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.61 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 178 N 8.20 4.07 0.00 3.06 3.00 0.00 0.00 7.28 6.89 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 0.00 179 Y 8.46 4.25 0.00 2.96 2.90 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 * Residues marked with a * may have inaccurate shift predictions.