NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3037 8.1227 123.5815 52.1479 21.1004 178.9537 3 L 3.7300 7.8854 117.3573 57.5286 42.1277 173.6521 4 V 3.2280 8.3968 119.0093 65.8078 31.9206 176.8975 5 D 4.4318 8.1674 118.4461 57.3646 40.5782 178.9989 6 G 3.4894 8.0363 105.9950 47.6703 0.0000 175.3787 7 F 4.1378 8.1454 123.6068 61.0276 39.1020 177.1350 8 L 3.7356 7.8036 117.2510 57.6815 41.7040 179.0246 9 E 4.0301 8.1619 118.4095 59.4635 29.5290 179.2202 10 L 3.8301 7.8660 119.0639 57.9231 41.4408 178.8924 11 E 4.2875 8.0175 115.8869 57.0019 29.2799 177.8756 12 R 4.5351 7.5022 117.3482 55.6964 30.8934 176.0590 13 S 4.6991 7.5801 113.2800 57.3049 64.4351 173.5161 14 S 4.4133 9.2116 115.6397 57.6634 64.5998 174.9540 15 G 4.1255 8.7885 111.4664 45.6528 0.0000 173.9768 16 K 4.0627 8.4973 119.4814 59.0889 32.1068 178.7075 17 L 3.9376 7.9424 120.2418 58.1957 41.9979 178.4662 18 E 3.9002 8.1622 118.5359 58.9827 29.7491 178.0106 19 W 4.0545 7.9680 128.5016 60.7263 30.6364 177.6774 20 S 4.1895 8.9739 112.8747 61.4345 61.8447 175.9353 21 A 3.9640 8.2775 123.5615 55.1657 17.8945 179.5957 22 I 3.4966 7.5583 117.1679 64.4181 37.2822 177.9849 23 L 3.8001 7.1039 119.4459 58.2527 42.0658 178.6162 24 Q 4.1993 8.1931 118.1229 58.6952 28.6797 179.3706 25 K 4.2942 7.9855 119.5948 56.5530 32.3886 178.5465 *27 A 4.4542 8.0029 121.7870 52.0068 20.8553 180.0727 28 S 4.7654 8.5350 111.6028 61.5294 63.1221 176.5350 29 D 4.4054 8.5081 119.1517 57.3822 40.6239 178.0785 30 L 4.0869 7.9232 119.2496 56.5787 42.2939 176.8132 31 G 3.8478 7.6245 104.7139 45.0871 0.0000 173.8138 32 F 4.3139 8.6665 119.6313 57.2984 40.3495 175.2377 33 S 4.5507 9.7097 114.5720 59.2004 62.4781 173.7320 34 K 5.2375 8.7831 118.7953 54.5443 35.9610 174.7355 35 I 5.2861 10.1017 116.5915 59.2270 41.7884 173.8514 36 L 4.9278 8.8342 124.8971 53.2864 45.3596 174.6428 37 F 5.2013 9.7379 129.4868 56.6094 41.3884 174.1477 38 G 4.4411 8.7112 114.2872 44.3038 0.0000 171.0827 39 L 5.1954 9.3363 125.4609 53.4087 46.0548 174.6288 40 L 5.3979 9.4995 126.4308 52.1575 44.9442 174.5398 41 P 4.1727 0.0000 0.0000 61.5101 33.2024 175.0418 42 K 4.0876 8.1589 120.8557 56.8412 32.5205 175.8312 43 D 4.3952 8.7310 125.2483 55.5129 38.4025 173.2114 44 S 4.6984 7.5733 111.6817 56.5112 64.5111 173.4941 45 Q 3.8909 8.1456 124.6605 55.7443 29.4561 176.1302 46 D 4.5529 7.6255 117.4456 54.3510 39.6960 176.2141 47 Y 4.3631 7.4239 121.2545 61.4262 38.3015 179.0020 48 E 4.3605 8.3075 117.4676 58.0690 29.9372 176.6308 49 N 4.8037 8.0447 116.6815 52.6394 39.6422 174.4174 50 A 4.4708 7.7379 118.9735 51.3582 20.1427 178.3049 51 F 4.2782 9.2366 122.4790 58.4056 40.3533 174.2693 52 I 4.9692 7.8363 126.6365 59.4620 40.0658 175.0944 53 V 4.2463 9.9301 126.8071 61.4909 35.0449 175.5556 54 G 3.6947 7.8212 111.2723 44.5879 0.0000 173.9185 55 N 5.1142 8.2569 122.7299 52.4711 38.0395 174.0171 56 Y 4.4701 8.4047 115.4335 58.4805 38.6475 175.2888 57 P 4.3099 0.0000 0.0000 63.1575 32.5827 177.2681 58 A 4.0636 8.9288 124.2999 55.4677 18.3880 179.4431 59 A 3.9853 8.0955 118.6157 54.9346 18.4261 179.5260 60 W 4.3539 8.1841 126.3635 60.8437 31.0573 177.9283 61 R 3.7684 8.2923 118.0576 59.5915 29.5399 178.8564 62 E 3.9323 8.4269 118.0149 59.6290 29.4311 178.8314 63 H 4.0128 8.2140 118.2117 59.3930 29.4938 176.5083 64 Y 3.4636 8.0410 121.4839 60.7459 38.3857 177.9935 65 D 4.4170 8.1603 119.7308 57.2257 40.7308 178.7805 66 R 3.7931 7.8485 118.3162 59.1736 30.2482 177.9105 67 A 3.9006 7.7641 118.5029 51.6977 18.9747 177.1374 68 G 3.8539 7.5450 106.0057 46.3271 0.0000 175.5599 69 Y 4.1459 7.5087 118.0197 59.5892 38.1730 178.5972 70 A 3.5903 7.5831 121.5915 54.3021 18.3864 178.4662 71 R 4.2074 7.6312 112.0675 57.0456 30.6608 177.2002 72 V 3.9774 7.1189 116.4373 63.6282 33.4875 175.7563 73 D 3.4937 8.1871 120.9809 53.7600 41.7834 175.3092 74 P 4.4379 0.0000 0.0000 64.9494 31.4632 178.4383 75 T 3.9692 8.2481 110.3770 64.4464 68.8097 177.0183 76 V 3.4795 7.5448 121.2414 65.8439 31.4941 178.0088 77 S 4.1064 7.9497 113.5836 61.7869 62.5605 175.6741 78 H 4.0868 8.1606 121.6578 59.3503 29.4044 176.8948 79 C 4.1061 7.9372 117.2993 63.0599 28.0409 175.8481 80 T 4.2136 7.6661 108.9608 63.3877 68.6512 174.9418 81 Q 4.5506 7.9377 118.7411 55.7241 30.6563 175.0586 82 S 4.5771 7.5997 110.4994 57.2266 65.2528 173.6972 83 V 4.2886 8.2841 116.2714 61.1256 32.1586 176.0059 84 L 4.5871 7.6795 120.3236 52.3012 43.1611 174.8595 85 P 4.1831 0.0000 0.0000 62.6759 31.9122 175.7466 86 I 4.3619 8.1310 121.6061 59.1635 40.1455 174.6940 87 F 4.5952 8.9375 128.3231 56.3455 39.8046 176.5451 88 W 4.9248 8.7448 123.9687 56.1986 26.4998 176.5096 89 E 4.4476 8.0739 121.2025 55.2057 30.7671 176.7355 90 P 3.7965 0.0000 0.0000 65.8127 31.0571 178.9082 91 S 4.2667 7.9841 111.4564 60.5855 63.0693 175.7276 92 I 3.9561 7.7448 116.0403 61.9809 38.4193 176.1258 93 Y 4.4931 7.1901 119.4274 57.0415 36.5572 174.9793 94 Q 4.2338 9.1441 123.0290 58.2767 29.8729 177.8073 95 T 4.3197 7.8335 107.6786 60.8377 71.2112 175.2981 96 R 3.9385 8.4610 121.1251 59.5005 29.9776 178.4590 97 K 3.9785 8.0290 118.9332 59.7331 32.3195 178.7220 98 Q 4.0924 8.3690 118.3757 59.0880 28.5870 178.1974 99 H 4.2209 8.7395 120.0201 59.1026 29.9399 176.9510 100 E 4.1164 8.5998 121.4989 59.1766 29.5150 178.3585 101 F 3.7638 8.4091 121.0005 61.2495 39.3049 176.6920 102 F 3.3348 8.4504 120.3621 61.1346 38.9797 176.8114 103 E 3.3931 7.9204 117.8905 59.3792 29.2393 179.3725 104 E 3.7645 7.9583 118.1775 59.0697 29.4768 179.1021 105 A 2.5800 7.4416 121.0390 54.6033 18.1737 179.7544 106 S 3.5711 7.3127 113.3659 61.6279 62.6116 176.9045 107 A 3.7586 7.2300 121.6495 54.6945 18.1238 178.6597 108 A 4.0153 6.9697 116.7577 52.3443 18.5765 178.2288 109 G 3.6429 7.7789 106.1136 45.3885 0.0000 174.9311 110 L 4.6808 7.1863 119.8329 53.4183 40.8926 177.1568 111 V 3.8224 7.4339 120.4549 63.7274 32.7703 176.6266 112 Y 5.1390 8.0209 118.3676 54.7451 40.1076 175.5782 113 G 3.1732 7.8743 108.5200 46.6428 0.0000 170.4892 114 L 4.4172 6.4047 118.3203 55.0496 44.3156 174.9010 115 T 5.4501 8.3075 115.9414 60.5119 72.5288 171.0999 *117 P 4.4785 0.0000 0.0000 63.1385 32.9357 176.1527 118 L 4.7236 8.5798 122.7475 53.2915 44.6974 175.3867 119 H 5.1695 8.7895 119.9503 54.0626 31.7579 173.6362 120 G 3.9350 9.1278 113.4449 44.2479 0.0000 173.5444 121 A 4.1407 8.5402 121.9905 54.2042 18.4878 178.7289 122 R 4.4888 8.3590 114.3838 56.0422 30.5248 177.1934 123 G 3.9375 8.3124 105.7062 45.2006 0.0000 173.7745 124 E 4.2622 7.9949 119.7664 56.4287 30.7440 175.3916 125 L 5.0031 8.7714 126.3390 53.5098 44.7112 175.5261 126 G 4.2242 8.6618 111.7158 45.7473 0.0000 171.1025 127 A 4.9263 8.7232 120.4204 50.0175 22.5381 175.2481 128 L 5.0036 8.5422 123.7452 53.6903 44.1931 174.8920 129 S 5.2589 9.2627 123.5807 56.9650 65.6847 173.6295 130 L 5.3093 8.6824 123.3185 53.0731 45.6170 175.8583 131 S 5.0985 9.5611 118.3247 56.8352 66.0376 173.0274 132 V 4.6874 8.6473 121.1738 61.2246 33.8855 174.7623 133 E 4.4113 8.8265 127.2556 55.4723 30.1438 175.5358 134 A 4.7410 8.3209 125.2099 50.6233 22.2566 175.5194 135 E 4.1566 9.2188 121.3865 58.8391 30.1228 177.0786 136 N 5.1253 7.3862 115.7683 51.1757 41.1632 175.1145 137 R 3.1243 8.4749 120.6052 59.1738 30.1624 178.3605 138 A 3.9170 7.8850 120.1882 55.1834 18.4170 179.0811 139 E 3.8310 8.8499 117.9561 59.1985 29.4621 178.8632 140 A 3.9644 7.4364 119.9017 55.2351 18.4876 179.0669 141 N 4.4014 8.1795 114.1985 56.3470 38.8710 177.4681 142 R 4.0912 7.9549 119.4404 59.2927 30.0642 179.1901 143 F 3.8444 8.0035 116.7577 59.6271 39.3149 176.1992 *145 E 4.3229 8.1100 118.4091 56.1077 31.1501 178.3364 146 S 4.1402 7.7991 112.6651 60.4126 63.1872 175.8352 147 V 4.2217 7.0008 113.7602 60.5891 31.9554 177.0275 148 L 4.0796 7.5545 122.4070 57.9523 41.7159 177.1052 149 P 4.3573 0.0000 0.0000 65.8942 31.3763 178.4484 150 T 4.1065 7.8560 113.0153 66.6224 68.7490 175.9619 151 L 4.2152 8.2738 122.4179 57.8183 40.8875 179.0232 152 W 4.0786 8.4393 124.6658 58.1827 30.2608 177.0265 *154 L 4.5051 7.8260 120.6699 54.5744 43.3386 178.7760 155 K 4.0758 8.3746 118.6767 60.3534 32.0607 178.6937 156 D 4.3819 7.6642 116.8806 57.0042 40.8314 178.2101 157 Y 4.0009 7.7474 116.5933 61.0564 37.9418 178.3641 158 A 4.2189 8.8784 121.8900 55.1945 18.4453 179.3893 159 L 4.3059 8.4469 118.8652 58.5375 41.9395 178.9961 160 Q 4.0617 8.5622 119.7321 59.2398 28.9244 178.1553 161 S 4.5257 8.1722 115.5873 61.0939 62.6014 176.3131 162 G 2.7183 9.0482 108.5538 47.3534 0.0000 175.2258 163 A 3.9777 8.5076 123.5961 55.0650 18.1254 180.0336 164 G 3.4496 7.2761 103.3557 47.7114 0.0000 175.4895 165 L 3.7941 6.8734 121.7105 57.5834 42.0829 178.6052 166 A 2.8050 7.1696 119.8785 53.8997 18.0692 177.3092 167 F 4.5439 7.3169 119.3782 57.8366 40.1225 174.5750 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 A 8.12 4.30 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 3 L 7.89 3.73 0.00 1.83 1.65 1.20 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.40 3.23 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 1.10 0.00 0.00 0.90 0.00 0.00 5 D 8.17 4.43 0.00 2.85 2.68 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 6 G 8.04 3.49 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 0.00 0.00 0.00 7 F 8.15 4.14 0.00 2.52 2.91 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 8 L 7.80 3.74 0.00 1.77 1.65 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.16 4.03 0.00 2.11 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 2.27 2.46 0.00 10 L 7.87 3.83 0.00 1.69 1.71 0.68 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.02 4.29 0.00 1.76 1.75 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 1.68 1.48 0.00 12 R 7.50 4.54 0.00 1.84 1.88 0.00 3.12 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 13 S 7.58 4.70 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.21 4.41 0.00 3.76 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 15 G 8.79 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 0.00 0.00 0.00 0.00 16 K 8.50 4.06 0.00 1.90 1.85 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.53 7.81 17 L 7.94 3.94 0.00 1.74 1.69 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.16 3.90 0.00 2.11 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 2.39 2.37 0.00 19 W 7.97 4.05 0.00 3.52 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 20 S 8.97 4.19 0.00 4.07 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 0.00 21 A 8.28 3.96 1.39 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 0.00 0.00 22 I 7.56 3.50 1.71 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 1.31 0.58 0.70 0.00 0.00 23 L 7.10 3.80 0.00 0.70 1.45 0.68 0.48 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 24 Q 8.19 4.20 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 25 K 7.99 4.29 0.00 1.87 1.87 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.45 7.81 *27 A 8.00 4.45 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 28 S 8.54 4.77 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 29 D 8.51 4.41 0.00 2.69 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 30 L 7.92 4.09 0.00 1.74 2.18 1.00 1.33 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 31 G 7.62 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 32 F 8.67 4.31 0.00 3.33 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 33 S 9.71 4.55 0.00 3.87 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 34 K 8.78 5.24 0.00 1.92 2.00 0.00 2.01 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.57 7.81 35 I 10.10 5.29 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 0.95 0.00 0.00 36 L 8.83 4.93 0.00 0.27 0.90 0.58 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.74 5.20 0.00 3.30 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 38 G 8.71 4.44 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 0.00 0.00 0.00 39 L 9.34 5.20 0.00 1.63 1.51 0.90 0.43 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 40 L 9.50 5.40 0.00 1.75 1.49 1.02 0.43 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 41 P 0.00 4.17 0.00 1.67 1.00 0.00 3.59 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.59 0.00 42 K 8.16 4.09 0.00 1.90 1.68 0.00 1.86 0.00 0.00 0.61 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.29 7.81 43 D 8.73 4.40 0.00 2.80 2.68 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 44 S 7.57 4.70 0.00 3.70 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 45 Q 8.15 3.89 0.00 1.35 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.42 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 46 D 7.63 4.55 0.00 2.72 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 47 Y 7.42 4.36 0.00 3.14 2.98 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 48 E 8.31 4.36 0.00 2.11 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 2.49 2.49 0.00 49 N 8.04 4.80 0.00 2.87 2.79 0.00 0.00 6.93 7.15 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 50 A 7.74 4.47 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 F 9.24 4.28 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 52 I 7.84 4.97 1.76 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 1.16 0.77 0.80 0.00 0.00 53 V 9.93 4.25 2.39 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 1.20 0.00 0.00 0.72 0.00 0.00 54 G 7.82 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 55 N 8.26 5.11 0.00 2.87 2.90 0.00 0.00 6.91 6.96 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 56 Y 8.40 4.47 0.00 2.99 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 57 P 0.00 4.31 0.00 2.29 2.07 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 58 A 8.93 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 59 A 8.10 3.99 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 60 W 8.18 4.35 0.00 3.40 3.38 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 61 R 8.29 3.77 0.00 2.08 1.99 0.00 3.36 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 62 E 8.43 3.93 0.00 2.17 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 2.33 2.43 0.00 63 H 8.21 4.01 0.00 3.32 3.45 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.04 3.46 0.00 2.30 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 65 D 8.16 4.42 0.00 2.73 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.85 3.79 0.00 1.82 1.81 0.00 3.23 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 1.56 1.58 0.00 67 A 7.76 3.90 0.09 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 0.00 0.00 68 G 7.55 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 69 Y 7.51 4.15 0.00 1.43 1.97 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 70 A 7.58 3.59 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 71 R 7.63 4.21 0.00 1.85 2.01 0.00 3.16 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.74 0.00 72 V 7.12 3.98 1.89 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 0.63 0.00 0.00 0.93 0.00 0.00 73 D 8.19 3.49 0.00 2.15 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 0.00 0.00 0.00 0.00 74 P 0.00 4.44 0.00 2.11 2.20 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 75 T 8.25 3.97 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 1.24 0.00 0.00 76 V 7.54 3.48 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 0.49 0.00 0.00 0.88 0.00 0.00 77 S 7.95 4.11 0.00 4.06 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 78 H 8.16 4.09 0.00 3.39 3.56 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 C 7.94 4.11 0.00 3.18 2.98 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 80 T 7.67 4.21 4.30 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 1.35 0.00 0.00 81 Q 7.94 4.55 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 82 S 7.60 4.58 0.00 3.63 3.43 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 V 8.28 4.29 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 0.81 0.00 0.00 1.01 0.00 0.00 84 L 7.68 4.59 0.00 1.72 1.71 1.04 1.16 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 85 P 0.00 4.18 0.00 1.52 1.33 0.00 3.57 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.05 0.00 86 I 8.13 4.36 1.20 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.63 0.88 0.00 0.00 87 F 8.94 4.60 0.00 3.00 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 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0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 97 K 8.03 3.98 0.00 1.94 1.81 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.64 7.81 98 Q 8.37 4.09 0.00 2.48 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 99 H 8.74 4.22 0.00 3.41 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.60 4.12 0.00 2.12 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 0.00 2.39 2.36 0.00 101 F 8.41 3.76 0.00 2.81 3.05 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 0.00 0.00 0.00 0.00 102 F 8.45 3.33 0.00 1.65 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 0.00 103 E 7.92 3.39 0.00 2.11 1.82 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 2.20 2.42 0.00 104 E 7.96 3.76 0.00 2.18 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 0.00 2.36 2.51 0.00 105 A 7.44 2.58 0.43 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 0.00 106 S 7.31 3.57 0.00 3.40 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 0.00 107 A 7.23 3.76 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 0.00 108 A 6.97 4.02 0.52 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 0.00 109 G 7.78 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 0.00 110 L 7.19 4.68 0.00 1.13 1.27 -0.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.43 3.82 1.71 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 0.01 0.00 0.00 0.48 0.00 0.00 112 Y 8.02 5.14 0.00 3.37 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 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0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 131 S 9.56 5.10 0.00 4.14 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 0.00 132 V 8.65 4.69 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 0.73 0.00 0.00 1.27 0.00 0.00 133 E 8.83 4.41 0.00 1.94 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 2.28 2.23 0.00 134 A 8.32 4.74 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 0.00 135 E 9.22 4.16 0.00 1.92 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 2.33 2.39 0.00 136 N 7.39 5.13 0.00 2.98 2.87 0.00 0.00 6.37 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 0.00 137 R 8.47 3.12 0.00 2.08 1.99 0.00 3.29 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 138 A 7.89 3.92 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 0.00 139 E 8.85 3.83 0.00 2.02 2.00 0.00 0.00 0.00 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 2.29 0.00 140 A 7.44 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 8.18 4.40 0.00 2.74 2.78 0.00 0.00 7.10 7.21 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 0.00 142 R 7.95 4.09 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 143 F 8.00 3.84 0.00 3.04 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 *145 E 8.11 4.32 0.00 2.22 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 2.25 2.36 0.00 146 S 7.80 4.14 0.00 3.99 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 0.00 147 V 7.00 4.22 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 0.52 0.00 0.00 0.30 0.00 0.00 148 L 7.55 4.08 0.00 1.86 1.83 1.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.36 0.00 2.09 2.11 0.00 3.71 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 2.20 0.00 150 T 7.86 4.11 4.44 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 1.29 0.00 0.00 151 L 8.27 4.22 0.00 1.99 1.89 0.72 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 152 W 8.44 4.08 0.00 3.79 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 *154 L 7.83 4.51 0.00 2.02 1.88 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 155 K 8.37 4.08 0.00 2.02 2.01 0.00 1.24 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.20 1.64 7.81 156 D 7.66 4.38 0.00 2.55 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 0.00 0.00 0.00 0.00 157 Y 7.75 4.00 0.00 3.24 3.05 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 0.00 0.00 0.00 0.00 158 A 8.88 4.22 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.45 4.31 0.00 2.04 2.05 1.04 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 160 Q 8.56 4.06 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 161 S 8.17 4.53 0.00 4.34 4.37 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 0.00 162 G 9.05 2.72 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 0.00 163 A 8.51 3.98 1.49 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 0.00 0.00 164 G 7.28 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 0.00 165 L 6.87 3.79 0.00 0.99 0.96 0.78 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 166 A 7.17 2.81 -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 0.00 0.00 0.00 0.00 0.00 0.00 167 F 7.32 4.54 0.00 2.97 2.74 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 * Residues marked with a * may have inaccurate shift predictions.