NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1556 8.0093 114.2825 59.9234 38.8390 175.0823 2 P 4.4264 0.0000 0.0000 61.8882 32.4390 173.2687 3 E 4.1031 9.4759 118.6774 58.5612 30.6195 177.7192 4 Y 4.9227 7.6339 115.0675 55.9334 41.5531 175.2839 5 V 4.0163 7.9392 122.4967 61.1275 35.5963 173.9130 6 D 4.6227 7.9723 126.8835 52.7981 43.0109 175.3070 7 W 4.3008 9.4281 128.0899 59.3459 29.9137 179.2849 8 R 4.0544 8.6613 119.6799 59.2740 29.6160 178.7469 9 Q 4.1305 7.9359 115.3633 57.7407 28.8754 176.8093 10 K 4.3627 8.0163 116.0494 55.5807 32.1781 176.4234 11 G 3.9267 7.9080 105.8311 46.9238 0.0000 174.5708 12 A 4.6910 8.2641 120.0686 51.2121 19.5493 177.1403 13 V 4.5791 7.6085 116.4384 61.6085 34.1606 175.5356 14 T 4.4397 8.3717 117.0563 59.5143 70.3915 172.3594 15 P 4.4667 0.0000 0.0000 62.4656 31.8242 176.6206 16 V 3.7519 8.2476 120.4411 63.2171 32.2981 175.3970 17 K 4.6687 8.5672 125.7653 54.6957 35.8975 174.3851 18 N 5.2180 8.3096 118.9679 51.8752 40.4743 174.2220 19 Q 3.4421 9.1408 126.0281 56.6120 29.6793 177.6853 20 G 3.8989 8.1525 107.7906 46.1996 0.0000 174.5477 21 S 4.5246 8.4577 111.3991 56.9158 62.5727 175.2367 22 C 4.8374 7.6583 119.8341 56.0860 46.3393 174.6144 23 G 3.8901 9.1144 119.2578 44.6889 0.0000 174.7058 24 S 4.3312 7.6324 114.2626 56.2863 63.5175 175.0647 *26 W 4.7558 8.2978 124.3592 56.5886 30.1024 178.0351 27 A 3.4935 6.4221 120.7695 54.3795 17.5409 179.5973 28 F 3.5535 7.7682 115.8083 60.5154 38.8607 177.3976 29 S 4.0801 8.1412 111.9500 61.4919 62.1499 175.8696 30 A 4.0209 7.8993 123.1897 55.3171 18.0895 179.7424 31 V 3.4889 7.8190 116.7685 66.0336 31.5270 178.2742 32 V 3.6462 7.9460 118.3158 66.2989 31.2547 178.1784 33 T 3.9302 7.7246 109.4559 64.7172 68.5849 176.8134 34 I 3.6061 7.7139 122.6968 64.1241 37.2659 178.0325 35 E 4.3223 8.7063 120.0545 59.4638 29.3352 179.7648 36 G 3.4400 8.1324 105.4775 48.7335 0.0000 175.6975 37 I 3.6196 7.8880 122.0186 63.3576 37.8622 178.0153 38 I 3.6728 7.9011 120.9764 64.1365 36.8683 178.1665 39 K 4.3416 7.8325 121.3279 59.1314 31.8011 178.8892 40 I 3.6971 7.4751 118.7406 64.4342 37.0917 178.2369 41 R 4.2284 8.0708 117.7460 57.8647 30.2193 177.9270 42 T 4.5689 8.1367 107.1096 60.4353 70.3776 175.3503 43 G 3.9561 8.3394 109.3380 45.4549 0.0000 172.6344 44 N 4.9036 7.8753 117.9754 51.0413 40.5887 173.3785 45 L 4.7372 8.4830 125.0211 53.8077 42.9859 174.9639 46 N 5.0817 8.4962 122.1700 51.4915 42.8796 173.5681 47 Q 4.6489 8.2024 119.0864 55.1462 30.6961 174.7122 48 Y 5.1122 8.6709 120.5083 56.0569 41.8463 175.7214 49 S 4.3571 8.6063 115.4892 57.2575 62.0173 174.5204 50 E 3.5371 8.3529 129.0632 59.2518 28.9613 178.9669 51 Q 3.8645 7.8220 119.1048 59.0137 29.0268 177.9045 52 E 2.8809 7.4771 120.3064 58.8126 29.5010 178.8471 53 L 3.9129 7.1139 118.2876 57.5444 41.4045 179.1295 54 L 4.0053 7.4959 119.4900 58.3881 42.1029 178.4339 55 D 4.5959 8.2178 117.5185 56.2859 41.0140 177.1492 56 C 4.9728 8.1547 115.3429 56.6739 37.3901 173.7003 57 D 4.4888 8.2539 120.9783 53.5450 39.1996 176.1094 58 R 4.3525 8.0487 121.4712 56.0195 30.5674 177.8329 59 R 3.8095 7.7233 119.4659 58.6598 30.1779 176.7856 60 S 3.3664 7.0289 113.3533 57.4528 63.9090 173.0488 61 Y 4.8104 7.4569 117.2365 57.9156 39.2668 177.8872 62 G 4.0747 7.9791 112.2014 47.4311 0.0000 176.9782 63 C 4.6950 8.9802 121.9079 58.1819 40.1263 173.8009 64 N 4.7993 8.4502 117.3859 53.0170 38.2883 174.6789 65 G 3.9364 8.2647 105.1998 44.5296 0.0000 173.0314 66 G 2.0814 6.5094 103.5034 44.1611 0.0000 171.9140 67 Y 4.4452 6.3318 117.6636 54.9920 40.5400 174.3922 68 P 4.3774 0.0000 0.0000 65.5227 31.5276 178.6634 69 W 3.8147 7.4203 114.9041 59.1551 28.0226 178.3610 70 S 3.4583 6.0823 113.2642 60.7751 61.6270 175.6807 71 A 4.0204 7.7601 123.4406 55.3452 17.8894 179.6784 72 L 3.9061 8.0470 117.4466 57.8434 41.6417 179.5357 73 Q 3.9591 8.2311 119.7093 58.7828 28.9357 177.9121 74 L 4.0961 7.7550 121.2544 58.2638 42.1397 179.2361 75 V 3.6908 7.7897 119.2635 65.0816 31.1388 177.8005 76 A 4.5072 7.7723 121.3765 53.5318 18.5950 178.6357 77 Q 4.1933 7.9743 113.7948 56.2324 29.6463 175.2827 78 Y 4.2824 9.3767 115.9649 56.1394 39.9615 178.3486 79 G 3.5939 7.0085 113.1454 47.2130 0.0000 170.4782 80 I 4.6919 6.9781 117.7072 60.0852 41.9474 174.7996 81 H 5.0802 10.0988 125.4838 54.5996 31.1205 174.3848 82 Y 4.6145 8.3327 117.3413 58.3352 38.4624 177.7000 83 R 3.9498 9.0396 122.9202 59.8567 29.9268 178.8355 84 N 4.3603 8.1581 114.8336 56.7854 38.6376 177.0089 85 T 4.2531 7.8934 115.6729 65.4028 70.0901 174.4648 86 Y 4.7919 7.5410 120.2425 55.2932 38.8247 172.1460 87 P 4.8185 0.0000 0.0000 61.2358 33.1056 176.0887 88 Y 4.5674 8.4379 119.8915 57.3978 39.2908 175.4192 89 E 4.1995 8.8820 125.4980 55.3086 31.7572 177.3756 90 G 3.7547 7.4096 105.3234 44.2387 0.0000 173.1408 91 V 4.4209 6.8955 117.0287 60.7248 34.6256 174.1770 92 Q 4.3292 8.6330 127.5361 56.0046 29.6431 175.0847 93 R 4.8762 9.0102 124.1351 54.3633 33.8765 174.5393 94 Y 4.3719 8.6787 115.9538 57.0736 38.6507 175.8901 95 C 4.4423 8.7940 121.7505 57.0828 40.5717 173.3757 96 R 4.8239 8.8703 124.9231 55.2716 30.2215 178.0461 97 S 4.2469 8.4167 116.4959 61.9809 62.6912 176.2256 98 R 4.0109 7.9996 118.6519 59.2078 30.1120 178.7195 99 E 4.0440 8.1306 116.6334 58.4277 29.6767 178.1239 100 K 4.3543 7.5407 117.0740 55.6847 32.2211 177.3912 101 G 3.8283 7.4886 108.3665 43.7126 0.0000 172.0205 102 P 4.2135 0.0000 0.0000 62.2798 31.8107 175.7965 103 Y 4.0363 7.9290 117.2168 58.8977 38.3488 176.2329 104 A 4.3965 8.5847 123.0991 53.3844 20.3345 177.5459 105 A 4.6248 7.4728 114.9007 50.5324 22.8056 175.3023 106 K 4.8662 8.3386 120.2849 54.8982 35.9601 175.4639 107 T 4.5227 8.2596 115.0969 60.3652 72.0166 174.0570 108 D 4.6948 10.1633 120.2274 53.4163 42.3781 177.3142 109 G 4.2360 6.7919 107.3621 44.9013 0.0000 171.2756 110 V 4.8622 7.6224 118.1033 59.8891 34.2464 175.3566 111 R 4.5836 8.6048 121.8966 54.3012 33.9527 174.1821 112 Q 4.3731 8.3813 123.1193 54.7382 30.3184 175.4516 113 V 3.9097 8.1935 126.6355 62.4742 32.4795 175.8277 114 Q 3.9119 8.7377 126.3183 55.6521 28.8883 175.1924 115 P 4.2904 0.0000 0.0000 63.1586 32.1707 174.8410 116 Y 4.3625 7.8361 113.4151 57.6294 35.9878 172.4633 117 N 4.6058 7.5538 117.6896 50.9692 40.7124 172.4589 118 E 3.0228 8.3143 128.4926 58.8907 29.8427 178.5040 119 G 3.5771 7.9131 104.8212 47.6529 0.0000 175.1897 120 A 3.9662 8.1052 123.0969 54.7681 18.3041 179.5181 121 L 3.8507 7.6679 118.7007 58.3637 42.1550 179.1151 122 L 3.8226 8.0913 119.3524 57.9549 41.2285 178.9464 123 Y 4.0371 8.2795 118.8865 60.6702 38.9635 178.0585 124 S 4.0637 8.2003 116.1375 61.6839 62.7965 176.6269 125 I 4.3185 8.4260 123.9183 63.9192 36.6552 178.2956 126 A 4.2260 8.3385 120.5551 54.5802 18.1973 178.6201 127 N 4.6693 7.8900 114.4450 54.0630 39.5364 175.2026 128 Q 3.6521 6.9640 114.4313 54.2503 31.5525 171.2522 129 P 4.7940 0.0000 0.0000 63.1974 32.2766 175.9515 130 V 4.5934 8.6511 121.7570 61.0702 35.1466 174.4368 131 S 4.8749 9.3569 123.2894 58.4559 63.4647 173.2722 132 V 5.0160 8.9535 119.0747 59.8755 36.5009 174.6624 133 V 5.1465 7.8680 112.6985 60.0032 35.6400 174.6421 134 L 4.8572 8.5460 121.4661 54.7737 44.3566 173.7755 135 E 4.6636 9.0919 121.8625 55.6802 29.5122 175.9414 136 A 3.8027 9.5401 129.4013 51.5827 20.0339 177.0190 137 A 4.1962 7.8451 118.6646 54.3065 18.9435 179.4546 138 G 3.9307 8.0313 103.1000 44.3521 0.0000 174.6631 139 K 4.1456 8.8206 122.6731 59.9827 32.2390 179.2422 140 D 4.5764 8.2431 118.9278 57.3178 41.0930 177.9980 141 F 3.9046 8.5841 120.6795 61.4258 39.3477 177.0305 142 Q 4.6554 8.4924 116.5924 58.5529 28.6151 177.8670 143 L 4.6204 7.9911 116.9792 53.3711 42.5085 176.1528 144 Y 4.0502 7.3850 121.9138 58.1371 38.9414 176.6458 145 R 3.9593 8.7853 123.6825 55.1572 32.2382 175.0339 146 G 3.7613 6.7435 104.0250 43.5353 0.0000 172.7700 147 G 3.8024 9.0091 107.8824 44.2407 0.0000 173.0254 148 I 4.2437 7.9354 119.5760 60.2978 37.1231 175.8465 149 F 4.4330 9.4121 129.9094 58.0099 39.4162 175.9854 150 V 4.0947 7.8862 120.0488 60.7071 33.0697 175.9725 151 G 3.5682 5.6750 104.5931 43.1037 0.0000 171.7728 152 P 4.3685 0.0000 0.0000 63.0660 32.0351 174.2847 153 C 4.9012 8.2422 113.7393 54.9127 45.4185 174.2932 154 G 3.9505 8.4149 110.6391 44.7774 0.0000 174.6843 155 N 4.9885 8.5719 120.7717 52.4310 37.7300 175.6516 156 K 4.3043 7.7783 119.9570 55.4598 31.4161 176.1409 157 V 3.9766 7.7354 119.8703 62.7477 32.4405 176.1684 158 D 4.7240 8.9290 120.8837 54.5181 42.0835 174.4387 159 H 4.8400 8.1686 119.1065 55.4052 33.3434 171.5765 160 A 5.0718 8.4726 127.5684 50.7528 20.9511 176.1057 161 V 4.4476 8.7131 115.0711 59.9741 36.7094 173.7373 162 A 5.2599 8.3792 120.8910 50.7926 22.6264 175.4120 163 A 5.0051 9.5289 124.5678 51.0714 20.4941 177.9938 164 V 4.6171 9.4674 114.8898 60.2382 34.1459 175.6422 165 G 4.1070 7.8260 107.7777 47.4714 0.0000 171.0207 166 Y 5.0345 7.7210 116.5246 56.8653 41.8315 173.5602 167 G 3.9586 7.5472 105.7327 44.5533 0.0000 171.2755 168 P 4.1766 0.0000 0.0000 65.2953 31.4156 177.1542 169 N 5.0222 8.1166 112.0380 52.8262 39.6195 172.8421 170 Y 5.4665 7.4081 116.0476 56.0704 42.1704 173.4426 171 I 4.8826 9.0320 121.1136 59.5949 40.1826 174.5037 172 L 5.1555 9.1792 129.3614 54.0463 43.6858 175.0481 173 I 5.1224 9.0959 127.3967 59.4324 40.5622 174.4993 174 K 4.1873 9.3540 129.0941 55.3647 33.0529 175.6546 175 N 4.8086 8.2662 126.7331 51.8895 41.0062 174.2203 176 S 4.6697 7.5589 113.6469 57.6551 63.1298 175.1303 177 W 4.7641 8.1465 116.0488 57.4029 29.5522 177.2205 178 G 4.0764 8.2343 105.2121 45.6134 0.0000 174.8511 179 T 4.3728 8.2770 107.0756 62.5023 69.4232 176.9937 180 G 3.6660 8.0454 110.9645 47.5599 0.0000 174.0703 181 W 4.3328 8.3026 130.0916 57.6926 32.3055 176.4482 182 G 2.7583 6.7343 112.3014 46.5513 0.0000 175.9647 183 E 4.2009 8.9391 117.9583 55.8782 28.1545 175.5447 184 N 4.6119 9.0873 121.2107 53.0985 36.7865 175.7301 185 G 4.1470 8.6757 106.9062 44.9499 0.0000 173.6349 186 Y 5.2256 8.0408 117.3471 56.6214 40.9295 174.4439 187 I 4.9295 9.0439 120.6351 59.4918 42.0686 174.2030 188 R 5.0625 8.5533 128.0894 55.0037 31.6396 175.1357 189 I 4.9190 8.8273 126.4336 59.3311 39.1206 175.6360 190 K 4.6117 9.0744 129.1981 57.3394 32.6410 175.6305 191 R 4.7225 8.8078 122.4020 54.5686 32.4474 173.8674 192 G 4.1506 9.7464 106.8814 45.8062 0.0000 174.9426 193 T 4.1025 7.5676 107.7973 61.7369 69.3505 173.4996 194 G 3.9165 8.3790 107.7455 45.5614 0.0000 175.1077 195 N 4.8939 7.6393 116.7272 51.4854 40.8756 174.4300 196 S 4.3420 8.5675 123.1137 61.4671 63.5244 176.6255 197 Y 4.4399 8.0341 117.7238 58.8843 38.3035 176.7861 198 G 3.3535 8.0297 103.9059 44.5977 0.0000 172.9545 199 V 3.7943 7.8427 119.0566 64.3205 32.0732 176.8481 200 C 4.6959 9.2863 122.1944 57.1271 34.4330 173.9324 201 G 4.0693 8.2067 105.4929 46.3466 0.0000 176.3624 202 L 4.4248 7.4749 123.0618 56.8512 42.1315 177.4079 203 Y 4.8898 8.1412 115.2487 58.1826 38.1555 177.5441 204 T 3.3423 7.9060 118.9411 66.3590 68.9777 174.9038 205 S 4.2529 7.5553 117.6536 57.8193 64.6667 173.2029 206 S 5.2666 8.0900 123.2906 56.7644 66.5413 173.4067 207 F 5.5092 9.4889 122.2649 56.0506 43.6563 173.3182 208 Y 5.3833 8.5932 117.8582 54.8221 41.4757 172.7997 209 P 4.8665 0.0000 0.0000 62.9650 32.8277 175.3364 210 V 4.5260 8.6245 121.6827 61.4080 33.7612 174.3485 211 K 4.9268 8.2820 126.3760 55.6657 35.2403 174.7444 212 N 5.6402 8.4514 120.1846 52.1305 37.4682 174.1650 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 1 I 8.01 4.16 1.99 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 1.51 1.19 1.03 0.00 0.00 2 P 0.00 4.43 0.00 2.29 2.11 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 3 E 9.48 4.10 0.00 2.01 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 4 Y 7.63 4.92 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 5 V 7.94 4.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.44 0.00 0.00 6 D 7.97 4.62 0.00 2.65 2.36 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 0.00 7 W 9.43 4.30 0.00 3.54 3.28 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 8 R 8.66 4.05 0.00 1.94 1.99 0.00 2.79 0.00 0.00 2.50 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 9 Q 7.94 4.13 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.13 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 10 K 8.02 4.36 0.00 1.93 2.01 0.00 1.08 0.00 0.00 1.09 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.31 1.28 7.81 11 G 7.91 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 0.00 0.00 0.00 12 A 8.26 4.69 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 13 V 7.61 4.58 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 1.12 0.00 0.00 1.13 0.00 0.00 14 T 8.37 4.44 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 1.29 0.00 0.00 15 P 0.00 4.47 0.00 2.10 2.09 0.00 3.94 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 16 V 8.25 3.75 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 0.73 0.00 0.00 0.75 0.00 0.00 17 K 8.57 4.67 0.00 1.76 1.85 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.49 7.81 18 N 8.31 5.22 0.00 2.65 2.68 0.00 0.00 6.98 7.08 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 19 Q 9.14 3.44 0.00 1.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.48 0.00 0.00 0.00 0.00 0.00 2.48 2.29 0.00 20 G 8.15 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 21 S 8.46 4.52 0.00 3.98 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 22 C 7.66 4.84 0.00 3.17 3.30 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 23 G 9.11 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 7.63 4.33 0.00 3.94 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 W 8.30 4.76 0.00 3.55 3.42 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 27 A 6.42 3.49 0.29 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 28 F 7.77 3.55 0.00 2.94 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 29 S 8.14 4.08 0.00 3.89 4.09 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 30 A 7.90 4.02 1.36 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 0.00 0.00 0.00 31 V 7.82 3.49 2.04 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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2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.19 1.47 7.81 107 T 8.26 4.52 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 1.09 0.00 0.00 108 D 10.16 4.69 0.00 2.65 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 0.00 109 G 6.79 4.24 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 0.00 110 V 7.62 4.86 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 0.81 0.00 0.00 1.00 0.00 0.00 111 R 8.60 4.58 0.00 0.67 1.44 0.00 3.10 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 112 Q 8.38 4.37 0.00 1.95 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.95 0.00 0.00 0.00 0.00 0.00 1.92 1.52 0.00 113 V 8.19 3.91 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 0.82 0.00 0.00 1.12 0.00 0.00 114 Q 8.74 3.91 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 115 P 0.00 4.29 0.00 1.56 1.68 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.88 0.00 116 Y 7.84 4.36 0.00 3.07 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 0.00 117 N 7.55 4.61 0.00 2.76 2.71 0.00 0.00 6.68 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 0.00 118 E 8.31 3.02 0.00 1.62 1.70 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 2.14 2.04 0.00 119 G 7.91 3.58 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 0.00 120 A 8.11 3.97 1.34 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 0.00 0.00 121 L 7.67 3.85 0.00 1.70 1.61 0.99 0.92 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 0.00 122 L 8.09 3.82 0.00 1.55 1.04 0.51 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 123 Y 8.28 4.04 0.00 2.92 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 0.00 124 S 8.20 4.06 0.00 4.08 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 0.00 125 I 8.43 4.32 2.28 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 1.57 2.50 1.23 0.00 0.00 126 A 8.34 4.23 1.38 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 0.00 0.00 127 N 7.89 4.67 0.00 2.64 2.75 0.00 0.00 6.86 7.20 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 0.00 128 Q 6.96 3.65 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.93 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 129 P 0.00 4.79 0.00 1.88 2.06 0.00 3.09 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 130 V 8.65 4.59 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 1.16 0.00 0.00 1.02 0.00 0.00 131 S 9.36 4.87 0.00 4.05 4.09 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 0.00 132 V 8.95 5.02 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 0.83 0.00 0.00 1.01 0.00 0.00 133 V 7.87 5.15 2.14 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 1.04 0.00 0.00 1.09 0.00 0.00 134 L 8.55 4.86 0.00 1.71 1.68 0.21 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.09 4.66 0.00 2.00 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 0.00 2.28 2.39 0.00 136 A 9.54 3.80 0.78 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 0.00 137 A 7.85 4.20 1.38 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 0.00 0.00 138 G 8.03 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 0.00 0.00 0.00 139 K 8.82 4.15 0.00 2.08 2.18 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.65 7.81 140 D 8.24 4.58 0.00 3.02 3.19 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 0.00 141 F 8.58 3.90 0.00 3.28 3.33 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 0.00 142 Q 8.49 4.66 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.62 0.00 0.00 0.00 0.00 0.00 2.96 2.76 0.00 143 L 7.99 4.62 0.00 1.85 1.75 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 144 Y 7.38 4.05 0.00 2.75 2.37 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 0.00 145 R 8.79 3.96 0.00 1.48 1.63 0.00 3.22 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.64 0.00 146 G 6.74 3.76 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 0.00 0.00 0.00 147 G 9.01 3.80 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 0.00 0.00 0.00 148 I 7.94 4.24 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 1.04 0.00 0.00 149 F 9.41 4.43 0.00 2.63 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 0.00 150 V 7.89 4.09 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 0.81 0.00 0.00 0.78 0.00 0.00 151 G 5.68 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 P 0.00 4.37 0.00 2.08 2.00 0.00 3.94 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 2.05 0.00 153 C 8.24 4.90 0.00 3.22 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 0.00 154 G 8.41 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 0.00 0.00 0.00 155 N 8.57 4.99 0.00 2.68 2.69 0.00 0.00 5.87 7.13 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 0.00 156 K 7.78 4.30 0.00 1.87 1.87 0.00 1.48 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.57 7.81 157 V 7.74 3.98 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 0.82 0.00 0.00 1.01 0.00 0.00 158 D 8.93 4.72 0.00 2.61 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 0.00 159 H 8.17 4.84 0.00 3.12 3.04 0.00 5.84 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 0.00 160 A 8.47 5.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.71 4.45 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 0.52 0.00 0.00 0.98 0.00 0.00 162 A 8.38 5.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 A 9.53 5.01 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 0.00 164 V 9.47 4.62 2.35 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 0.91 0.00 0.00 1.21 0.00 0.00 165 G 7.83 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 0.00 0.00 0.00 166 Y 7.72 5.03 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 G 7.55 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 0.00 0.00 0.00 168 P 0.00 4.18 0.00 2.03 2.09 0.00 3.40 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 169 N 8.12 5.02 0.00 2.90 2.90 0.00 0.00 6.63 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Y 7.41 5.47 0.00 3.08 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 0.00 171 I 9.03 4.88 2.07 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.93 1.14 0.00 0.00 172 L 9.18 5.16 0.00 2.10 1.80 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 173 I 9.10 5.12 2.15 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.99 0.00 0.00 174 K 9.35 4.19 0.00 1.95 1.72 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.19 0.86 7.81 175 N 8.27 4.81 0.00 2.51 2.48 0.00 0.00 7.04 7.03 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 0.00 176 S 7.56 4.67 0.00 2.97 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 0.00 177 W 8.15 4.76 0.00 2.89 2.86 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 0.00 178 G 8.23 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 T 8.28 4.37 4.31 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 1.26 0.00 0.00 180 G 8.05 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 0.00 181 W 8.30 4.33 0.00 3.54 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 G 6.73 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 0.00 0.00 0.00 183 E 8.94 4.20 0.00 2.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 184 N 9.09 4.61 0.00 3.00 3.03 0.00 0.00 7.58 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 0.00 185 G 8.68 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 0.00 0.00 0.00 186 Y 8.04 5.23 0.00 3.19 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 0.00 187 I 9.04 4.93 1.66 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.41 1.08 0.00 0.00 188 R 8.55 5.06 0.00 1.70 1.71 0.00 2.21 0.00 0.00 2.54 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.48 0.00 189 I 8.83 4.92 2.04 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.88 1.08 0.00 0.00 190 K 9.07 4.61 0.00 1.84 1.83 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.51 7.81 191 R 8.81 4.72 0.00 2.11 2.00 0.00 2.99 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 192 G 9.75 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 0.00 0.00 0.00 193 T 7.57 4.10 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 1.24 0.00 0.00 194 G 8.38 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 0.00 195 N 7.64 4.89 0.00 2.78 2.76 0.00 0.00 7.07 7.27 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 0.00 196 S 8.57 4.34 0.00 3.66 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 0.00 197 Y 8.03 4.44 0.00 3.17 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 G 8.03 3.35 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 0.00 199 V 7.84 3.79 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 200 C 9.29 4.70 0.00 3.22 3.28 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 0.00 201 G 8.21 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 0.00 202 L 7.47 4.42 0.00 1.73 1.28 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 203 Y 8.14 4.89 0.00 3.27 2.81 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 0.00 204 T 7.91 3.34 4.32 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 1.32 0.00 0.00 205 S 7.56 4.25 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 0.00 206 S 8.09 5.27 0.00 3.69 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 0.00 207 F 9.49 5.51 0.00 3.10 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 0.00 208 Y 8.59 5.38 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 P 0.00 4.87 0.00 2.08 2.08 0.00 3.88 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 210 V 8.62 4.53 2.07 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 0.84 0.00 0.00 0.92 0.00 0.00 211 K 8.28 4.93 0.00 1.73 1.58 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.41 1.36 7.81 212 N 8.45 5.64 0.00 2.78 2.69 0.00 0.00 6.25 7.56 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 * Residues marked with a * may have inaccurate shift predictions.