NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 G 3.8202 8.2014 109.7384 46.3574 0.0000 174.8382 14 G 4.0039 8.5002 112.4726 44.4758 0.0000 172.0062 15 R 3.9287 9.3771 118.9251 59.9477 30.8791 178.2141 16 T 3.9105 7.9258 114.9153 66.5566 68.4424 176.2928 17 A 4.0868 7.7629 121.4052 55.0871 18.3341 179.9697 18 R 4.0539 8.0309 116.7576 59.3859 30.0479 179.2532 19 I 3.7331 8.2372 120.1008 64.3583 37.0818 178.4222 20 R 4.2735 8.1203 119.3800 59.6204 30.0086 178.1550 21 E 3.9438 8.4301 118.2348 59.5605 29.4501 179.3462 22 A 3.9474 8.1676 120.6139 55.1974 18.4093 179.9083 23 V 3.2637 7.9244 116.9966 65.9896 31.4023 178.3224 24 L 3.8399 8.1301 119.2259 57.2736 41.4088 179.1176 25 L 3.8406 7.9692 120.2249 58.1384 41.9663 178.9520 26 A 3.8957 8.1064 120.5775 54.9763 18.1846 179.4845 27 A 3.8873 8.3074 119.8993 55.1260 18.4554 180.0549 28 G 3.4815 8.1959 104.4771 48.0138 0.0000 175.6113 29 D 4.3184 8.1862 121.2901 57.0527 40.8231 178.8495 30 A 3.9747 8.1804 121.4329 54.9845 18.3667 179.6404 31 L 3.9047 8.2509 117.7046 58.0272 41.5113 179.7155 32 A 4.0040 7.8427 119.1665 54.8462 18.3260 179.3728 33 A 4.1232 7.8939 118.6169 54.8162 18.7400 178.1419 34 D 4.6018 8.2016 112.4074 53.0103 42.9645 176.8707 35 G 4.0495 8.1497 105.2800 44.7635 0.0000 174.5493 36 F 4.2313 8.7362 120.2477 61.0576 39.5344 176.7373 37 D 4.1988 8.3090 118.4423 55.9371 38.9133 177.0517 38 A 4.2380 7.3221 120.2996 52.3661 19.3933 177.1574 39 L 3.9710 7.3650 118.8991 54.7159 42.7874 176.2796 40 D 4.6795 8.2555 123.6349 51.7483 44.6689 176.2406 41 L 3.8758 8.5252 126.9165 57.5041 41.4748 179.7404 42 G 3.6217 8.2651 105.9930 47.7946 0.0000 175.7182 43 E 3.9767 8.2138 120.5857 59.1135 29.5344 179.2871 44 I 3.5815 7.7987 119.6817 64.1753 37.0366 178.2017 45 A 3.9122 7.9091 121.5774 55.2080 18.3271 179.7121 46 R 3.8122 7.7187 117.0838 59.6820 29.9584 179.0096 47 R 3.9131 7.8707 116.5803 58.9591 30.1757 178.2686 48 A 4.2287 8.3427 118.7247 51.8940 18.8079 177.3487 49 G 3.7909 7.8045 104.7608 46.6733 0.0000 173.9337 50 V 4.4791 7.9170 117.9628 59.5403 34.6315 175.8891 51 G 3.8092 8.5349 112.0691 44.6967 0.0000 175.0102 52 K 4.0903 8.7742 124.4587 60.0189 32.6385 179.5954 53 T 4.0442 8.0214 110.6644 65.0354 68.5945 176.4459 54 T 3.8927 7.9777 118.0909 66.2946 68.5553 176.5999 55 V 4.0554 7.7075 120.2018 66.5305 31.6885 177.7308 56 Y 4.2413 8.2150 116.5167 61.0227 37.4409 178.6035 57 R 3.9154 8.2703 119.0518 59.5425 30.3187 178.3912 58 R 3.8314 8.0759 116.5167 57.5183 30.2823 177.3931 59 W 4.4394 8.5100 117.2806 55.6158 31.0269 176.9853 60 G 4.2935 8.6667 111.0552 45.9276 0.0000 174.1108 61 T 4.8224 7.2292 108.6383 57.6572 73.4095 172.5706 62 P 4.3364 0.0000 0.0000 65.9666 31.1705 179.1357 63 G 3.9184 8.4460 104.0131 47.8996 0.0000 175.8343 64 G 3.8691 8.5436 109.6880 46.8137 0.0000 175.7038 65 L 3.9609 8.2606 122.4538 57.9216 42.0900 178.8431 66 A 3.9363 8.4578 120.8855 55.1106 18.3407 179.2602 67 A 3.9155 8.3417 119.6517 55.6163 18.4011 179.4484 68 D 4.3878 8.2672 116.3403 57.1164 41.0959 178.0447 69 L 3.8905 7.8657 120.3324 58.2981 42.1507 178.8004 70 L 3.9129 7.8885 117.3849 57.4666 41.7030 179.1529 71 A 4.2465 7.9875 121.0256 54.9637 18.3656 180.1413 72 D 4.5761 8.1910 114.6189 54.6323 41.3211 177.9816 *74 A 4.3763 7.9591 121.7620 51.7515 20.3928 179.5605 75 E 3.9864 8.3377 115.0435 58.9405 29.6844 177.4978 76 Q 4.4280 7.8339 115.1023 55.5065 29.4411 175.9031 77 S 4.2990 7.6058 113.3165 58.4203 62.9258 173.7161 78 L 4.4574 8.2617 126.1683 53.1281 42.6559 175.0978 79 P 4.3845 0.0000 0.0000 62.0323 31.9037 176.8374 80 R 2.0000 8.0955 117.4261 54.9234 29.7638 176.6297 81 A 4.1465 6.8636 121.6657 52.9102 19.0684 177.9423 82 D 4.7169 7.9990 118.6440 53.5853 41.8859 174.7669 83 T 4.1375 9.4413 113.1316 61.6289 69.8635 177.1181 84 G 4.0020 9.3819 109.1898 45.0758 0.0000 173.6060 85 A 4.8109 7.8659 121.4358 49.0142 23.2023 176.3082 86 L 3.8992 9.2978 126.9028 58.5447 42.1978 179.4645 87 E 4.1061 8.0421 119.8336 58.6452 29.6631 178.3634 88 E 3.9851 8.1591 118.3587 59.3692 29.5792 178.7849 89 D 4.5229 8.3121 118.9382 57.6401 40.8943 178.9985 90 L 4.0427 8.3472 119.6078 57.4166 41.4665 179.5536 91 R 3.8062 8.3861 119.2007 59.1609 30.1225 178.3478 92 A 3.9776 8.1159 120.6536 55.0765 18.4109 178.9092 93 N 3.1400 7.8463 115.2180 56.5892 38.7682 176.9548 94 A 3.8277 7.9482 122.1595 55.1490 18.3478 179.8454 95 R 3.8137 8.1990 116.9143 59.1811 30.0527 179.3155 96 L 3.9504 7.7351 118.7790 57.5844 41.5695 179.5545 97 V 3.4246 7.6817 118.2450 65.9829 31.3668 178.2870 98 V 3.4780 7.8788 118.1111 66.0282 31.1198 178.2086 99 R 3.8850 7.9500 117.0587 59.3522 30.0034 179.0133 100 T 4.0119 7.9575 115.5328 66.8168 68.0545 176.8909 101 L 3.9662 8.1511 120.8802 56.9698 41.4216 178.1681 102 D 4.5577 7.9891 116.2589 53.8809 41.8876 175.8546 103 D 4.4616 7.3113 120.2889 53.9533 42.1833 174.5861 104 P 4.2416 0.0000 0.0000 65.8126 31.3317 178.8250 105 R 3.8568 7.9303 116.5660 59.7833 30.1202 178.4878 106 Q 4.1937 9.0286 118.4335 58.7565 28.6878 178.9244 107 G 3.7348 8.3540 108.5383 47.3968 0.0000 176.0760 108 R 4.0189 7.9513 120.1878 58.6470 30.0089 178.8696 109 L 3.8868 8.2121 120.4055 58.2985 42.0704 179.1214 110 F 3.9757 8.5624 117.9155 60.5693 38.7588 177.8752 111 R 4.0077 8.3136 117.5645 59.3290 29.8039 179.0246 112 A 4.0366 8.2415 120.5312 55.0080 18.3178 179.7174 113 L 3.8285 8.1220 117.8019 57.7722 41.7933 179.6665 114 I 3.7383 8.1206 119.8487 64.2027 36.9088 178.2591 115 A 3.9697 8.3457 121.7413 55.0500 18.2838 179.4020 116 A 2.5800 7.8897 119.6180 54.9164 18.0738 180.0658 117 S 4.0836 7.7620 111.3433 61.3035 63.0189 176.1885 118 L 4.2106 7.4718 120.8356 56.2941 41.6502 177.2227 119 C 4.5811 7.3907 114.6528 59.7496 29.6217 173.4683 120 N 4.9234 7.9833 118.8065 50.9970 41.6141 174.8786 121 E 3.9895 8.9655 125.6975 59.3012 29.5512 179.0863 122 Q 3.9250 8.1409 119.1678 59.1914 29.2486 178.0089 123 A 3.9582 8.6923 121.9877 54.8311 18.2530 179.3967 124 A 3.7670 8.0794 119.4827 55.3350 18.4693 179.4862 125 E 3.8542 8.1652 117.5740 59.3922 29.6446 178.9333 126 A 4.0519 7.8785 120.5093 54.7977 18.4372 179.3707 127 L 3.9384 8.3377 119.3641 58.8519 42.1910 179.0402 128 H 4.5027 8.4171 116.3096 58.8885 28.5608 177.8498 129 R 3.9462 8.2316 120.8234 59.0915 29.9007 178.2822 130 F 4.0457 8.3980 120.6953 61.6794 39.3499 176.8555 131 Y 3.8406 8.1866 116.0092 60.6571 37.5304 178.1984 132 A 4.0262 8.3415 122.1002 55.1651 18.5103 179.8416 133 V 3.4529 7.8014 116.6857 66.0776 31.6039 178.2995 134 R 3.8402 7.6092 118.4101 59.3861 29.8425 178.6537 135 V 3.6476 8.0873 118.4314 66.2059 31.3161 177.7843 136 D 4.3457 8.1518 117.7633 57.1036 40.9479 178.1340 137 E 3.9724 8.2342 119.9785 59.1670 29.6549 178.9434 138 W 3.9434 8.4716 118.3284 58.9770 29.1482 178.2317 139 A 4.0944 8.4160 121.5272 54.9280 17.6613 179.5503 140 G 3.6771 7.9175 104.0070 48.4019 0.0000 175.6152 141 C 4.1970 8.2529 118.9093 62.6570 28.0336 176.3338 142 V 3.6840 7.5958 119.4025 65.8660 31.2817 178.1760 143 R 3.9411 8.0970 117.9238 59.2952 29.8319 178.7921 144 D 4.3627 8.3026 118.6258 57.2225 40.7749 178.6530 145 A 4.0278 8.0420 121.4622 54.8876 18.3647 179.8369 146 V 3.6706 8.2012 117.0090 66.2874 31.4422 178.1884 147 A 4.0692 7.9157 119.2685 54.6968 18.2937 178.8752 148 R 4.2767 7.9054 112.1831 56.1906 30.0212 177.3928 149 G 3.9272 7.8389 107.6860 46.3695 0.0000 174.7478 150 E 4.1672 8.3550 121.4625 58.0724 29.7124 177.6125 151 V 4.6142 7.3182 109.3302 58.3709 35.5207 173.5603 152 P 4.4469 0.0000 0.0000 62.2186 31.8920 176.0152 153 D 4.4002 8.5002 120.9861 56.4407 41.3277 177.5569 154 G 3.9877 8.9330 110.4878 45.3657 0.0000 173.4073 155 T 4.3053 7.3194 117.2091 63.6990 68.9382 173.3849 156 D 4.5991 9.0564 126.8929 52.9971 41.4983 175.0059 157 P 4.2077 0.0000 0.0000 65.7270 31.3123 177.9149 158 H 4.0710 8.3178 116.7782 59.3371 29.7306 177.2839 159 G 3.3712 8.0846 107.0455 47.6406 0.0000 175.7852 160 V 2.0338 6.5407 119.1546 65.1029 31.8102 178.0769 161 V 3.5497 7.3991 117.5898 65.8762 31.4141 177.7050 162 A 3.8589 8.0690 120.7162 55.2436 17.8990 179.4822 163 A 4.0043 7.3619 118.1570 54.8349 18.3788 179.9124 164 V 3.6061 7.1644 116.4013 66.4453 32.0260 178.2732 165 S 4.2593 7.9426 114.0462 60.9629 62.6912 176.1836 166 A 4.0564 7.9684 124.2065 54.8016 18.1894 177.9069 167 P 4.3582 0.0000 0.0000 65.2197 31.4325 178.6497 168 L 3.9060 7.8144 119.1754 58.1349 41.6675 178.5987 169 Y 3.9209 7.9325 116.5703 61.1524 37.6792 178.0628 170 Y 4.4213 8.6622 121.8190 59.8660 38.8825 177.7306 171 A 4.4758 8.1125 123.3264 54.5186 18.2968 179.2458 172 L 3.8340 7.6948 117.5152 57.9987 42.2529 178.3396 173 L 4.4971 8.0787 116.6227 55.0507 42.9857 176.8171 174 N 4.5705 7.9119 115.0029 54.9813 40.1757 177.3172 175 T 3.7180 7.2573 107.7468 62.4832 69.3846 176.2099 176 G 3.6892 8.1171 108.6979 45.6530 0.0000 173.2951 177 R 4.1892 7.6030 118.6718 55.2313 30.9042 176.4414 178 S 4.3034 8.3840 119.7873 58.4996 63.5850 173.6842 179 L 4.7438 8.1873 123.6562 53.7078 43.2478 176.5076 180 T 4.6807 8.7156 112.6449 59.2079 73.0057 174.8179 181 E 3.8891 8.6483 120.8160 59.4900 29.5083 178.6131 182 A 3.9941 7.9468 120.2774 55.1125 18.4640 179.1302 183 D 4.2773 8.0535 117.3093 57.3934 40.8828 178.8130 184 A 3.9378 7.7077 120.7114 55.3340 18.4190 179.4773 185 D 4.2881 8.2192 117.3948 57.5881 40.9025 179.2771 186 R 3.9277 8.1901 118.4011 59.0283 30.0832 178.8884 187 A 3.9699 8.1561 120.4140 55.2262 18.3352 179.6029 188 A 3.9136 8.0970 119.2632 55.2416 18.3735 179.9055 189 R 3.8337 8.1418 117.1179 59.2556 30.0729 178.6006 190 A 3.9835 8.5662 120.8570 55.2485 18.3730 179.5485 191 A 4.2262 8.0144 119.2133 55.4418 18.2847 180.0930 192 S 4.1398 8.4070 113.9215 61.9731 62.8129 177.0705 193 T 3.9162 8.2561 118.3476 66.6728 68.2696 176.6831 194 A 3.9800 8.4514 122.6800 54.9463 18.3406 179.6315 195 A 4.3500 8.6620 119.7342 55.6691 18.3538 180.0424 196 R 3.9365 8.1376 115.1933 59.1993 30.2227 178.3381 197 A 4.3411 7.6262 117.6408 52.2427 18.9595 178.0065 198 G 3.8694 8.1450 106.3390 45.6001 0.0000 176.0959 199 V 3.3089 7.6924 121.5117 64.7858 31.5658 176.9349 200 W 4.6815 7.9430 117.6905 56.1366 29.1844 175.3706 201 V 4.0187 7.5929 120.0881 62.5915 31.1163 175.8410 202 T 3.9662 8.4069 118.8962 63.8843 68.7127 174.8322 203 G 4.0010 8.8359 114.7539 45.5246 0.0000 172.4381 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 13 G 8.20 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.50 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 15 R 9.38 3.93 0.00 1.94 1.96 0.00 3.26 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 16 T 7.93 3.91 4.25 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 1.20 0.00 0.00 17 A 7.76 4.09 1.41 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 0.00 0.00 0.00 18 R 8.03 4.05 0.00 2.04 2.01 0.00 3.31 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 19 I 8.24 3.73 2.19 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 1.46 0.85 1.12 0.00 0.00 20 R 8.12 4.27 0.00 2.18 2.22 0.00 3.28 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.10 0.00 21 E 8.43 3.94 0.00 2.22 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 2.35 2.50 0.00 22 A 8.17 3.95 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 23 V 7.92 3.26 1.64 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 -0.27 0.00 0.00 0.74 0.00 0.00 24 L 8.13 3.84 0.00 1.64 1.61 1.03 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.97 3.84 0.00 1.79 1.77 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.11 3.90 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 27 A 8.31 3.89 1.17 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 0.00 0.00 28 G 8.20 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.19 4.32 0.00 2.82 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 30 A 8.18 3.97 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 31 L 8.25 3.90 0.00 1.75 1.71 0.88 0.76 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 32 A 7.84 4.00 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 33 A 7.89 4.12 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 34 D 8.20 4.60 0.00 2.59 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.15 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 36 F 8.74 4.23 0.00 3.25 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 37 D 8.31 4.20 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.32 4.24 1.27 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 0.00 0.00 0.00 39 L 7.37 3.97 0.00 1.52 1.33 0.83 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.26 4.68 0.00 2.63 2.52 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 41 L 8.53 3.88 0.00 1.16 0.86 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.27 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.21 3.98 0.00 2.14 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 2.37 2.38 0.00 44 I 7.80 3.58 1.80 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 0.65 0.00 0.00 45 A 7.91 3.91 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 46 R 7.72 3.81 0.00 1.83 2.08 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 47 R 7.87 3.91 0.00 1.91 1.92 0.00 3.16 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 1.62 1.73 0.00 48 A 8.34 4.23 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 49 G 7.80 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 0.00 0.00 0.00 50 V 7.92 4.48 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 0.89 0.00 0.00 0.95 0.00 0.00 51 G 8.53 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 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0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.26 4.46 0.00 1.77 1.61 0.98 1.08 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 79 P 0.00 4.38 0.00 1.90 1.84 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.00 0.00 80 R 8.10 2.00 0.00 0.67 0.91 0.00 2.90 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 0.00 81 A 6.86 4.15 1.46 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 0.00 0.00 0.00 82 D 8.00 4.72 0.00 2.48 2.48 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 0.00 0.00 0.00 0.00 83 T 9.44 4.14 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 1.27 0.00 0.00 84 G 9.38 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 85 A 7.87 4.81 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 86 L 9.30 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0.00 111 R 8.31 4.01 0.00 2.06 2.03 0.00 3.15 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 1.71 1.81 0.00 112 A 8.24 4.04 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 0.00 113 L 8.12 3.83 0.00 1.63 1.53 0.34 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.12 3.74 2.08 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 1.57 1.25 0.94 0.00 0.00 115 A 8.35 3.97 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 0.00 116 A 7.89 2.58 0.47 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 0.00 117 S 7.76 4.08 0.00 3.96 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 0.00 118 L 7.47 4.21 0.00 1.79 1.76 0.93 0.76 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 0.00 119 C 7.39 4.58 0.00 2.92 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0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.42 4.50 0.00 3.26 3.37 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.23 3.95 0.00 2.04 2.18 0.00 3.14 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 130 F 8.40 4.05 0.00 3.11 3.08 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 0.00 131 Y 8.19 3.84 0.00 3.19 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 0.00 132 A 8.34 4.03 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 0.00 133 V 7.80 3.45 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 0.97 0.00 0.00 0.93 0.00 0.00 134 R 7.61 3.84 0.00 1.36 1.76 0.00 3.17 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 135 V 8.09 3.65 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 0.89 0.00 0.00 0.97 0.00 0.00 136 D 8.15 4.35 0.00 2.71 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 0.00 137 E 8.23 3.97 0.00 2.01 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 0.00 2.21 1.87 0.00 138 W 8.47 3.94 0.00 3.45 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 0.00 139 A 8.42 4.09 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 0.00 140 G 7.92 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 C 8.25 4.20 0.00 3.19 3.08 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 0.00 142 V 7.60 3.68 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 1.15 0.00 0.00 0.90 0.00 0.00 143 R 8.10 3.94 0.00 1.90 1.96 0.00 3.17 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 144 D 8.30 4.36 0.00 2.92 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 0.00 145 A 8.04 4.03 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 0.00 146 V 8.20 3.67 2.21 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 1.04 0.00 0.00 0.99 0.00 0.00 147 A 7.92 4.07 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 R 7.91 4.28 0.00 2.00 2.06 0.00 3.35 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.65 0.00 149 G 7.84 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 0.00 150 E 8.35 4.17 0.00 2.20 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 2.36 2.29 0.00 151 V 7.32 4.61 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 0.82 0.00 0.00 0.97 0.00 0.00 152 P 0.00 4.45 0.00 2.20 1.99 0.00 3.77 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 153 D 8.50 4.40 0.00 2.68 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 8.93 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 0.00 0.00 0.00 155 T 7.32 4.31 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 1.33 0.00 0.00 156 D 9.06 4.60 0.00 2.85 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 0.00 157 P 0.00 4.21 0.00 2.19 2.23 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 158 H 8.32 4.07 0.00 3.17 3.44 0.00 5.68 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 0.00 159 G 8.08 3.37 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 0.00 160 V 6.54 2.03 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 0.59 0.00 0.00 0.68 0.00 0.00 161 V 7.40 3.55 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.02 0.00 0.00 162 A 8.07 3.86 1.22 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 0.00 0.00 163 A 7.36 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 0.00 164 V 7.16 3.61 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 0.77 0.00 0.00 0.83 0.00 0.00 165 S 7.94 4.26 0.00 3.91 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 0.00 166 A 7.97 4.06 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 0.00 167 P 0.00 4.36 0.00 2.29 2.32 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 168 L 7.81 3.91 0.00 1.68 1.56 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 169 Y 7.93 3.92 0.00 3.03 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 0.00 170 Y 8.66 4.42 0.00 3.19 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 0.00 171 A 8.11 4.48 1.41 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 0.00 0.00 0.00 172 L 7.69 3.83 0.00 1.59 1.87 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.08 4.50 0.00 1.63 1.69 1.03 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 174 N 7.91 4.57 0.00 1.56 2.23 0.00 0.00 6.67 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 0.00 175 T 7.26 3.72 4.20 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 1.12 0.00 0.00 176 G 8.12 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 0.00 177 R 7.60 4.19 0.00 1.77 1.82 0.00 3.25 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 178 S 8.38 4.30 0.00 3.88 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 0.00 179 L 8.19 4.74 0.00 1.56 1.51 0.82 0.81 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 0.00 180 T 8.72 4.68 4.22 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 1.20 0.00 0.00 181 E 8.65 3.89 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 182 A 7.95 3.99 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 0.00 183 D 8.05 4.28 0.00 2.88 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 0.00 184 A 7.71 3.94 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 0.00 185 D 8.22 4.29 0.00 2.91 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 0.00 186 R 8.19 3.93 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 187 A 8.16 3.97 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 0.00 188 A 8.10 3.91 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 0.00 189 R 8.14 3.83 0.00 2.07 1.94 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 190 A 8.57 3.98 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 0.00 191 A 8.01 4.23 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 0.00 192 S 8.41 4.14 0.00 3.91 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 0.00 193 T 8.26 3.92 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 1.23 0.00 0.00 194 A 8.45 3.98 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 0.00 195 A 8.66 4.35 1.57 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 0.00 196 R 8.14 3.94 0.00 1.97 2.05 0.00 3.19 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.85 0.00 197 A 7.63 4.34 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 0.00 198 G 8.14 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 0.00 199 V 7.69 3.31 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 -0.30 0.00 0.00 0.70 0.00 0.00 200 W 7.94 4.68 0.00 3.58 3.08 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 0.00 201 V 7.59 4.02 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 0.85 0.00 0.00 1.06 0.00 0.00 202 T 8.41 3.97 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 1.32 0.00 0.00 203 G 8.84 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 * Residues marked with a * may have inaccurate shift predictions.