NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Y 4.3614 8.0027 121.7133 57.5260 38.7889 174.4766 10 E 4.1823 8.5470 126.1845 56.3318 29.5381 175.7192 11 N 4.7326 8.1251 114.4669 55.5140 40.7068 176.5718 12 I 3.6915 7.6434 119.2773 63.7341 38.2438 177.8020 13 R 3.5548 7.7004 118.8098 59.7297 29.9461 178.3750 14 D 4.4974 7.7468 116.1532 56.9833 40.8122 179.1329 15 T 3.8211 7.7324 116.4234 66.4815 68.5561 176.2915 16 I 3.5801 7.4479 121.2249 64.5547 37.1577 178.3025 17 I 3.5251 7.5976 120.0347 64.4276 36.8517 178.0705 18 E 3.8219 8.4916 120.1539 59.3872 29.2713 178.9067 19 R 3.8010 8.2088 117.4841 59.0381 30.1942 177.9224 20 A 3.4963 8.0103 119.9636 54.7350 18.7094 178.9052 21 A 4.0306 7.8030 119.1339 55.2898 18.4969 180.1163 22 A 3.9952 7.3126 114.7362 53.6217 18.2283 179.0961 *24 F 5.0398 8.0601 120.5799 58.6189 40.9792 177.1451 25 A 4.1780 7.8758 121.7971 54.0495 18.2165 177.8429 26 R 4.1756 7.1141 115.3864 58.0182 30.5981 177.4958 27 Q 4.0219 7.8932 121.9563 57.2866 29.4019 176.3592 28 G 4.4005 8.2011 104.2258 44.4204 0.0000 173.7381 29 Y 3.3848 8.4771 118.6499 60.4399 38.8803 177.9979 30 S 4.1594 8.0775 112.7853 61.1083 63.3644 175.3203 31 E 4.0431 7.5484 117.0224 58.8041 29.3890 177.2207 32 T 4.4493 7.4743 115.9108 62.5196 69.5252 175.2654 33 S 4.6609 8.8617 122.1428 56.8239 66.4217 175.3158 34 I 3.8064 8.1712 122.5656 64.2849 36.7692 178.9571 35 G 3.5900 8.0343 106.2156 47.8586 0.0000 175.0506 36 D 4.3833 7.9106 121.2770 57.2921 40.9134 179.2934 37 I 3.5773 7.5947 119.1954 64.1969 37.0331 178.0555 38 A 3.9867 8.0965 121.8131 55.4517 18.0261 179.4480 39 R 4.1292 7.7178 112.8016 57.4915 30.5050 178.3563 40 A 4.1907 7.5416 120.2554 54.5237 18.4526 178.2041 41 C 4.3787 7.7485 113.5136 58.5248 29.7421 174.2519 42 E 3.8112 8.0149 117.7301 57.2593 26.2561 172.5825 43 C 4.7862 8.2896 118.4236 57.5860 35.4632 173.0430 44 S 4.5340 8.3001 116.2962 57.1153 63.4325 175.2981 45 K 4.1000 8.6190 122.8362 59.6214 32.6357 179.2621 46 S 4.1538 8.3633 115.0153 61.8422 63.0223 176.5962 47 R 4.1516 7.7845 118.8107 58.4540 29.7197 179.0432 48 L 4.3426 7.6695 119.4096 57.8174 41.4282 178.1903 49 Y 5.2615 7.9806 115.5685 59.0269 38.0806 176.7972 50 H 4.0767 7.8068 118.2320 58.2730 29.9053 175.0285 51 Y 4.4960 7.7593 115.6833 57.8129 40.4735 175.7199 52 F 5.0585 8.2043 117.3169 55.8268 42.7867 175.3213 53 D 4.6370 8.9630 123.3481 56.4400 41.5842 176.6005 54 S 4.6869 7.6057 111.3331 55.8667 66.5496 174.6908 55 K 3.9757 8.6190 125.2540 59.6952 31.8614 178.6391 56 E 4.0817 8.5521 118.7101 59.1917 29.3004 179.1722 57 A 4.0420 7.9449 120.5330 55.0393 18.3367 179.5236 58 V 2.6818 7.2282 115.1518 65.8147 31.5990 177.7192 59 L 4.2342 7.7372 118.4733 58.2100 42.2533 178.5009 60 R 4.0665 8.5204 118.9971 59.3652 29.9318 178.5630 61 D 4.6057 8.0978 114.1736 55.2572 41.0149 177.5478 *63 L 4.2640 7.8680 119.7721 54.7617 43.9132 179.4225 64 T 3.8964 8.2222 115.4643 66.9227 68.3850 177.0204 65 T 3.9046 8.1495 111.8414 64.8638 68.7488 176.1954 66 H 4.1430 8.1488 120.9158 59.1066 30.0010 177.5473 67 V 3.6157 7.9512 121.0430 64.7415 31.2661 178.0233 68 D 4.3337 8.3406 119.7554 57.1817 40.6265 178.7005 69 S 4.0669 8.1817 113.5737 61.2486 62.3860 175.8977 70 L 3.9680 7.7902 122.9929 58.1773 41.8244 178.8924 71 L 4.1694 8.1785 119.0748 57.8852 41.5808 179.2106 72 E 3.9323 8.2582 119.1847 59.4376 29.6179 179.1163 73 R 3.9427 8.2380 118.2415 59.1827 30.0351 178.5173 74 C 4.0023 8.3508 118.7287 62.4712 31.5338 175.8612 75 R 3.1510 7.6593 119.4813 59.1323 29.3765 178.9723 76 Q 3.9391 7.5638 116.4926 58.8517 28.9908 178.9255 77 V 3.6602 7.5820 119.0770 65.9102 31.3699 177.9366 78 L 3.9073 7.6200 117.5687 58.0970 41.6201 178.7330 79 Y 4.7628 7.9876 113.0485 59.6004 37.8626 177.2053 80 G 3.7159 8.1128 107.5558 45.6520 0.0000 174.3200 81 S 4.3441 7.3180 116.3199 57.3041 63.9510 174.0785 82 N 4.4914 8.6334 123.2313 55.9351 39.3965 175.9330 83 E 4.3771 7.9399 118.4192 54.7724 31.1357 175.5116 84 P 4.2766 0.0000 0.0000 65.7531 31.5436 178.7201 85 K 4.0538 8.0052 117.8424 59.5695 32.1264 178.9683 86 T 3.8483 7.8363 115.6229 66.7298 68.4818 176.5142 87 R 3.8868 7.9860 119.9432 59.2414 30.0741 178.8989 88 F 4.0800 8.1385 120.1342 61.2833 39.4563 176.9109 89 L 3.6890 7.8269 119.7653 58.2106 41.7872 178.9375 90 Q 3.9144 8.3659 118.3836 58.8322 28.5716 178.8029 91 I 3.2922 7.6021 120.9183 64.2165 37.0867 178.6794 92 V 3.2747 7.0915 118.9681 65.7431 31.2173 178.2031 93 K 3.9232 7.9504 118.3089 59.1461 31.7978 179.0169 94 L 3.9565 7.9357 120.7123 58.3151 42.1088 179.0758 95 F 4.5921 8.0267 117.6874 60.8429 38.8594 177.6973 96 L 4.1691 8.1370 118.4600 57.2483 41.3924 179.1046 97 E 3.9945 8.4445 119.8703 59.4688 29.5457 178.9226 98 I 3.7878 8.1049 119.8993 64.3367 36.7332 177.7917 99 Y 3.9397 8.0859 120.1312 60.7567 38.4719 177.9277 100 A 3.9429 8.1180 120.4213 55.0065 18.4538 178.9025 101 T 4.2499 7.8652 106.6276 62.8377 70.4144 176.0585 102 S 4.7336 8.6011 118.3676 56.8194 64.0992 176.0667 103 R 3.5697 8.1056 121.8480 59.7775 29.8561 176.2417 104 D 4.3229 7.9835 117.6892 57.8311 40.6663 179.2462 105 R 3.8655 7.7807 116.2443 59.2039 30.1177 178.2550 106 H 4.0630 8.0799 117.5882 59.2045 29.8984 176.8649 107 V 3.4154 8.3203 120.2737 65.9608 31.1616 179.3603 108 V 3.5373 7.5867 115.3859 63.3307 31.1808 177.1162 *110 L 4.2618 7.8570 115.8892 53.9873 43.3432 177.6115 111 T 4.5105 7.4773 110.8042 63.2937 71.2891 174.3222 112 C 4.6186 8.1587 116.4884 58.7939 29.5520 175.1915 113 L 3.8494 7.9416 123.0711 58.0682 41.6226 178.6722 114 D 4.2516 7.8881 116.3825 55.6357 39.6177 177.2154 115 A 3.8116 7.4468 122.1048 53.9483 18.3083 177.5599 116 L 4.3429 6.9087 115.6869 52.9067 43.4876 177.8260 117 P 4.7586 0.0000 0.0000 62.6108 30.8674 177.8007 118 E 4.4978 8.8190 119.4941 58.9254 31.2791 177.5620 119 D 4.3431 7.9228 118.8222 56.5407 39.5868 178.3192 120 Q 4.0688 7.9679 118.6318 58.2324 28.9585 177.8964 121 R 3.8071 7.8946 120.3652 59.4671 30.1676 178.4603 122 K 4.1243 8.0382 117.5185 58.8442 31.9369 179.2356 123 A 3.9847 7.9978 121.4675 55.1978 18.3092 179.6815 124 L 3.9671 8.0052 117.4318 57.7968 41.7463 179.6385 125 I 3.6650 8.3208 119.9846 64.2440 37.0610 178.2828 126 A 3.9806 8.1313 121.6809 55.1237 18.2054 179.8924 127 K 4.0901 7.7601 117.1502 59.6448 32.1059 179.6759 128 Q 3.9390 8.1410 118.4316 58.8848 28.4666 179.0033 129 R 3.8892 8.0002 119.2509 59.0175 30.0452 178.7218 130 E 3.6904 7.9548 118.3039 59.2535 29.3117 179.2598 131 L 4.0593 7.5915 119.5449 58.3084 42.1589 178.7969 132 I 4.0182 7.7450 119.5283 64.6376 36.9763 178.1391 133 A 4.0597 8.1752 121.5324 55.4346 18.1802 179.1440 134 Y 4.4739 7.9125 115.2086 61.4844 37.9426 179.3317 135 V 3.7003 7.9982 119.1091 65.8597 31.7164 177.8981 136 R 4.0244 8.4401 120.2159 59.1702 29.9650 178.2474 137 D 4.4091 8.6080 118.6595 57.3367 40.5632 178.7207 138 A 4.0610 7.8356 120.5552 54.8949 18.6393 179.4023 139 L 3.7175 8.0021 117.6586 57.9289 41.6415 179.7157 140 L 4.1321 8.0342 118.1114 57.1589 41.2861 179.2836 141 Q 4.0516 7.7614 117.4690 58.2938 28.6845 177.8781 142 L 4.2542 7.5709 119.7203 55.9965 43.0759 177.4154 143 R 4.6269 7.3039 116.8306 53.3938 30.3044 173.9878 144 P 4.5337 0.0000 0.0000 64.6787 32.0572 179.1538 145 D 4.4910 7.2111 120.5212 52.8406 37.5980 177.1541 *147 A 4.2881 8.0733 123.1893 53.0856 20.6761 179.4544 148 A 4.0298 8.1454 117.8378 54.3994 18.7899 177.3946 149 N 4.7308 7.4007 111.7786 52.3310 38.6521 175.3358 150 R 4.0288 8.2284 126.9953 58.8272 30.3842 178.5434 151 T 3.8787 7.9749 115.3234 66.9016 68.5485 176.4827 152 L 4.1038 8.2995 120.3993 57.3333 41.6271 179.2902 153 A 4.0388 8.1553 121.1077 55.4296 18.0772 179.1326 154 H 4.1555 8.0961 115.3993 59.4049 30.0741 177.0255 155 V 3.7558 7.5256 118.6749 66.4675 31.5986 177.4545 156 D 4.7350 8.6030 118.6587 57.5952 40.1197 179.3442 157 T 3.9343 7.9256 112.5326 64.6221 68.0746 175.9056 *159 L 4.3052 7.8395 123.2128 54.9509 43.7296 178.7879 160 F 3.5577 8.2789 119.3666 61.2368 39.4840 175.9625 161 F 4.0290 8.6153 119.5255 60.7392 39.0113 178.3006 162 G 3.8750 7.6716 108.2306 46.3396 0.0000 174.9356 *164 I 4.0094 7.8471 115.3043 60.5419 39.3300 177.5091 165 N 4.5835 8.9107 118.4443 55.5131 38.6335 176.7062 166 W 4.5257 8.5775 129.3703 59.3672 30.8235 177.7611 167 T 2.9450 7.6408 109.5100 65.1358 67.5879 175.6200 168 Y 4.6295 8.0956 120.6366 59.3286 37.8697 177.9941 169 T 3.6200 6.6732 110.3160 62.8818 68.9979 175.2661 170 W 5.0391 7.0963 114.4883 56.6211 31.1096 174.5293 171 Y 4.0049 7.5616 121.1689 55.9177 39.1633 173.9346 172 K 4.2415 7.6384 125.8938 54.2043 33.5052 176.9588 173 A 3.9518 8.4653 127.0405 53.5275 18.5304 177.2321 174 D 4.7263 7.8234 114.1174 52.9575 39.8644 176.9135 175 G 4.0528 7.2494 109.6679 44.7302 0.0000 173.4145 176 S 4.1786 8.9220 114.6687 61.4775 62.8103 175.1785 177 V 4.1267 7.7237 120.1145 61.5410 31.7421 176.2111 178 S 4.5578 8.5114 122.6889 57.3620 65.3039 172.9097 179 P 4.2959 0.0000 0.0000 66.2516 31.0199 178.6931 180 D 4.3254 8.1261 116.5980 57.2717 40.8559 178.3341 181 A 3.9987 8.1561 121.3376 55.2415 18.3700 179.4688 182 L 3.8772 8.3777 118.9133 58.0351 42.0354 179.0674 183 A 3.9047 8.0291 120.6976 55.2160 18.2884 179.3238 184 E 3.8963 8.2932 117.2134 59.5407 29.4651 179.5950 185 R 3.9073 8.1258 118.4781 59.8374 30.1262 178.3460 186 T 3.9689 8.3269 115.8865 66.9259 68.4402 176.6514 187 V 3.8657 8.0919 119.8038 66.1469 31.5594 177.8681 188 Q 4.0716 8.4329 118.1109 59.0782 28.5811 179.0535 189 L 4.0601 8.2641 119.8558 57.8636 41.5384 179.3860 190 F 4.1836 8.4103 119.2146 61.4316 39.4865 176.8700 191 L 4.0595 8.3660 117.5790 57.0883 41.6842 178.1773 192 D 4.7983 8.5432 115.6183 52.6163 43.0556 177.2116 193 G 3.9972 8.0339 107.5899 45.7166 0.0000 173.6794 194 Y 4.1482 8.9250 123.3714 60.7105 38.7541 178.5676 195 L 4.0515 8.0200 117.0907 56.6699 41.8440 177.1389 196 N 4.8220 7.7117 114.0400 52.4018 39.4913 174.5878 197 L 4.0585 7.2678 120.9417 54.5355 42.6634 176.6065 198 L 4.0477 8.3540 126.0229 54.6937 42.2357 176.1987 199 S 4.5149 8.3742 117.5344 56.1131 63.4482 173.6373 200 A 4.1758 8.7553 129.5884 52.7942 18.0037 176.7577 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 9 Y 8.00 4.36 0.00 3.28 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 10 E 8.55 4.18 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 11 N 8.13 4.73 0.00 2.92 2.84 0.00 0.00 6.64 8.47 0.00 0.00 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 I 7.64 3.69 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.66 0.86 0.00 0.00 13 R 7.70 3.55 0.00 1.85 1.95 0.00 3.23 0.00 0.00 2.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 14 D 7.75 4.50 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 15 T 7.73 3.82 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 1.17 0.00 0.00 16 I 7.45 3.58 2.19 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 1.55 0.56 0.85 0.00 0.00 17 I 7.60 3.53 2.01 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 1.73 1.01 0.90 0.00 0.00 18 E 8.49 3.82 0.00 2.17 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 2.25 2.27 0.00 19 R 8.21 3.80 0.00 1.92 1.81 0.00 3.31 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 20 A 8.01 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.80 4.03 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 22 A 7.31 4.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *24 F 8.06 5.04 0.00 3.06 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 25 A 7.88 4.18 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 26 R 7.11 4.18 0.00 1.86 1.85 0.00 3.31 0.00 0.00 3.27 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.69 0.00 27 Q 7.89 4.02 0.00 2.18 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 28 G 8.20 4.40 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 0.00 29 Y 8.48 3.38 0.00 2.62 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 30 S 8.08 4.16 0.00 4.03 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 31 E 7.55 4.04 0.00 2.28 2.06 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 2.36 2.63 0.00 32 T 7.47 4.45 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 33 S 8.86 4.66 0.00 4.01 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 34 I 8.17 3.81 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 0.87 0.00 0.00 35 G 8.03 3.59 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 0.00 0.00 0.00 36 D 7.91 4.38 0.00 2.94 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 37 I 7.59 3.58 1.92 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 1.20 0.89 0.79 0.00 0.00 38 A 8.10 3.99 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.72 4.13 0.00 1.81 1.98 0.00 3.16 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 40 A 7.54 4.19 1.30 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 0.00 0.00 0.00 41 C 7.75 4.38 0.00 2.97 2.92 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 42 E 8.01 3.81 0.00 2.01 1.91 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 2.23 2.25 0.00 43 C 8.29 4.79 0.00 3.05 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 44 S 8.30 4.53 0.00 4.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.62 4.10 0.00 1.87 1.94 0.00 1.81 0.00 0.00 1.98 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.74 1.56 7.81 46 S 8.36 4.15 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.78 4.15 0.00 1.97 2.07 0.00 3.12 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 48 L 7.67 4.34 0.00 1.78 1.48 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 7.98 5.26 0.00 3.07 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 50 H 7.81 4.08 0.00 2.98 2.63 0.00 5.89 0.00 0.00 0.00 0.00 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2.93 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 69 S 8.18 4.07 0.00 4.08 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 70 L 7.79 3.97 0.00 1.89 1.76 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.18 4.17 0.00 1.94 1.84 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.26 3.93 0.00 2.20 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 2.33 2.51 0.00 73 R 8.24 3.94 0.00 1.94 1.98 0.00 3.20 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 74 C 8.35 4.00 0.00 3.34 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 75 R 7.66 3.15 0.00 1.88 1.38 0.00 3.41 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.69 0.00 76 Q 7.56 3.94 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 77 V 7.58 3.66 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 0.92 0.00 0.00 0.91 0.00 0.00 78 L 7.62 3.91 0.00 1.25 1.57 0.34 0.70 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 79 Y 7.99 4.76 0.00 2.87 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 80 G 8.11 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.32 4.34 0.00 3.84 3.77 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 82 N 8.63 4.49 0.00 2.73 2.82 0.00 0.00 7.03 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 83 E 7.94 4.38 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 84 P 0.00 4.28 0.00 2.15 2.11 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.84 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.58 7.81 128 Q 8.14 3.94 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 129 R 8.00 3.89 0.00 2.01 1.92 0.00 3.10 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 130 E 7.95 3.69 0.00 2.11 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 2.20 2.48 0.00 131 L 7.59 4.06 0.00 1.75 1.79 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.74 4.02 1.99 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.35 1.05 0.00 0.00 133 A 8.18 4.06 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 0.00 134 Y 7.91 4.47 0.00 3.39 2.99 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 0.00 135 V 8.00 3.70 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 0.79 0.00 0.00 1.30 0.00 0.00 136 R 8.44 4.02 0.00 2.11 2.15 0.00 3.26 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 137 D 8.61 4.41 0.00 2.89 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 0.00 138 A 7.84 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.00 3.72 0.00 1.81 1.61 0.82 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.03 4.13 0.00 1.71 1.72 0.95 0.76 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 0.00 141 Q 7.76 4.05 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 142 L 7.57 4.25 0.00 1.66 1.62 0.52 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.30 4.63 0.00 1.73 1.87 0.00 3.25 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 144 P 0.00 4.53 0.00 2.17 2.18 0.00 3.35 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 145 D 7.21 4.49 0.00 2.74 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 *147 A 8.07 4.29 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 0.00 148 A 8.15 4.03 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 0.00 149 N 7.40 4.73 0.00 2.78 2.73 0.00 0.00 7.11 7.53 0.00 0.00 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 R 8.23 4.03 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 151 T 7.97 3.88 4.41 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 1.24 0.00 0.00 152 L 8.30 4.10 0.00 1.73 1.74 0.93 1.05 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 0.00 153 A 8.16 4.04 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 0.00 154 H 8.10 4.16 0.00 3.18 3.57 0.00 5.98 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 0.00 155 V 7.53 3.76 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 0.93 0.00 0.00 1.04 0.00 0.00 156 D 8.60 4.74 0.00 2.81 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 0.00 157 T 7.93 3.93 4.52 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 1.53 0.00 0.00 *159 L 7.84 4.31 0.00 2.08 1.90 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 160 F 8.28 3.56 0.00 1.82 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 0.00 161 F 8.62 4.03 0.00 3.20 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 0.00 162 G 7.67 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 *164 I 7.85 4.01 1.83 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.91 0.68 0.00 0.00 165 N 8.91 4.58 0.00 2.95 3.11 0.00 0.00 6.99 5.96 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 0.00 166 W 8.58 4.53 0.00 3.58 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 7.64 2.95 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 168 Y 8.10 4.63 0.00 3.26 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 T 6.67 3.62 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 -1.00 0.00 0.00 170 W 7.10 5.04 0.00 3.41 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 0.00 171 Y 7.56 4.00 0.00 1.43 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 0.00 0.00 0.00 172 K 7.64 4.24 0.00 1.66 1.65 0.00 1.52 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.35 7.81 173 A 8.47 3.95 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 0.00 174 D 7.82 4.73 0.00 2.74 2.69 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 0.00 175 G 7.25 4.05 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 0.00 0.00 0.00 176 S 8.92 4.18 0.00 3.94 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 0.00 177 V 7.72 4.13 2.38 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 0.95 0.00 0.00 1.08 0.00 0.00 178 S 8.51 4.56 0.00 4.15 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 0.00 179 P 0.00 4.30 0.00 2.25 2.44 0.00 3.69 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.47 0.00 180 D 8.13 4.33 0.00 2.78 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 0.00 181 A 8.16 4.00 1.44 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 0.00 182 L 8.38 3.88 0.00 1.50 1.57 0.95 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 183 A 8.03 3.90 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 0.00 184 E 8.29 3.90 0.00 2.04 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 0.00 2.33 2.49 0.00 185 R 8.13 3.91 0.00 2.08 2.16 0.00 3.23 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 186 T 8.33 3.97 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 187 V 8.09 3.87 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 1.33 0.00 0.00 0.84 0.00 0.00 188 Q 8.43 4.07 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 189 L 8.26 4.06 0.00 2.00 1.87 1.05 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 190 F 8.41 4.18 0.00 3.29 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 8.37 4.06 0.00 1.80 1.71 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 192 D 8.54 4.80 0.00 2.77 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 0.00 193 G 8.03 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 0.00 0.00 0.00 194 Y 8.92 4.15 0.00 2.96 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 0.00 195 L 8.02 4.05 0.00 1.68 1.71 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 196 N 7.71 4.82 0.00 2.76 2.78 0.00 0.00 6.91 7.87 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 0.00 197 L 7.27 4.06 0.00 1.63 1.41 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 198 L 8.35 4.05 0.00 1.64 1.57 0.90 0.85 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 0.00 199 S 8.37 4.51 0.00 3.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 A 8.76 4.18 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.