NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 D 4.6510 8.3649 119.5533 52.9349 42.3177 176.1781 11 K 4.0470 7.8180 118.6963 54.6922 32.7943 174.3537 12 P 4.7869 0.0000 0.0000 63.0666 33.4983 175.3490 13 V 5.1155 8.5071 121.6049 60.7421 35.2275 173.1866 14 A 5.0709 8.9372 122.8940 51.3575 23.4815 175.2232 15 H 4.7300 9.2499 120.0414 55.6500 33.0559 172.8977 16 V 5.0418 9.0086 119.3505 59.7248 35.6589 175.2267 17 V 5.5484 8.6514 113.5613 59.5876 36.1456 175.2267 18 A 4.2173 8.5009 124.3761 51.8453 19.4969 177.1396 19 N 4.4949 9.0066 120.7346 52.1762 39.3597 174.1784 20 P 2.9700 0.0000 0.0000 63.6966 31.6356 176.7828 21 Q 4.1034 8.1012 117.2786 55.7495 29.1364 175.7101 22 A 4.3727 7.3330 124.6584 50.9232 18.1327 177.0569 23 E 4.2061 8.3932 117.9652 57.5418 30.6235 176.0965 24 G 4.0818 9.6636 110.4312 45.1906 0.0000 172.7762 25 Q 4.4136 7.4763 115.8700 54.7198 31.4977 174.2074 26 L 4.1817 8.1354 120.7842 53.1981 42.0867 174.2018 27 Q 4.6048 7.8604 126.7245 53.7387 31.1837 174.3818 28 W 5.1780 9.0421 126.9158 56.3904 30.6755 175.9425 29 L 5.0442 9.2977 122.4365 53.2566 44.6845 177.1202 30 N 4.7584 9.0389 118.9017 53.6702 38.8713 175.0853 31 R 4.4371 7.7940 118.0543 56.7925 30.6818 176.1295 32 R 4.6640 7.5863 115.1493 53.6345 33.7139 175.5544 33 A 4.1644 8.4409 123.4508 54.0213 18.6110 177.3896 34 N 4.3244 9.0570 119.0447 53.9664 35.7310 173.7175 35 A 5.0819 7.7460 118.7866 50.3049 22.0867 176.6970 36 L 4.7184 9.2256 120.6988 53.5363 46.0879 174.9878 37 L 5.0586 8.6287 124.5965 53.0128 44.6653 175.6161 38 A 4.6514 8.6402 124.9583 50.3743 23.1656 175.1098 39 N 4.3085 9.9787 114.2806 54.9213 36.1131 175.6385 40 G 4.0785 8.5466 106.7192 45.3170 0.0000 175.2313 41 V 3.9425 7.6663 119.6854 63.1316 32.1950 174.9872 42 E 4.8428 8.7597 125.6359 54.3595 33.7360 174.4018 43 L 5.2164 8.3525 122.6146 53.4249 44.4694 175.7801 44 R 4.5561 9.0994 126.1765 56.2740 33.2935 174.3555 45 D 4.1318 9.6968 124.1712 55.6345 38.4782 173.6805 46 N 4.5880 8.6975 112.5945 54.0954 37.5626 172.9278 47 Q 5.0236 7.8578 114.6395 53.7154 33.0222 174.5874 48 L 4.5719 8.6710 122.6401 54.4146 43.3249 175.9273 49 V 4.7046 8.7165 124.0576 61.1310 33.7902 174.8946 50 V 4.1255 8.4946 122.4626 60.3442 32.1421 175.7373 51 P 4.3829 0.0000 0.0000 64.5131 32.0814 176.2354 52 S 4.6654 7.4666 110.1720 56.2551 65.9029 173.5534 53 E 4.1589 8.8978 123.0382 56.4342 29.8585 176.5229 54 G 3.9700 8.2367 111.0534 46.6344 0.0000 170.2506 55 L 5.2186 7.6074 121.4048 53.7905 44.0197 174.9327 56 Y 5.1168 9.1768 123.7118 55.9512 41.7783 174.4328 57 L 4.7158 8.9603 127.2357 55.0880 43.5622 175.5335 58 I 5.2613 9.4454 127.3738 59.8543 40.7017 174.1447 59 Y 5.7120 8.5973 123.1150 56.2522 41.7993 173.7077 60 S 5.2019 9.5403 114.5563 57.5231 67.2087 172.5983 61 Q 4.7137 8.6538 121.5523 54.3636 32.4661 174.0471 62 V 4.3674 8.4941 119.0060 59.2604 35.4784 174.2595 63 L 4.7498 7.8029 127.0267 53.6582 43.4200 175.0995 64 F 5.2329 8.9998 125.8584 56.3461 41.2769 175.2089 65 K 4.0111 9.2347 123.5362 54.6210 35.0127 175.4864 66 G 3.3838 5.4861 113.1356 44.1655 0.0000 171.8380 67 Q 4.5649 8.5755 120.0299 54.5398 28.7480 176.7395 68 G 4.0438 8.7998 110.6922 45.4389 0.0000 171.1813 69 C 4.9287 8.2126 116.2948 54.1217 40.1791 173.2081 70 P 4.2966 0.0000 0.0000 64.9493 31.4884 177.0634 71 S 4.5829 7.2333 110.2679 57.0537 65.3206 173.7911 72 T 4.4825 8.0815 113.7804 62.3099 69.0343 174.8581 73 H 4.6025 8.2066 119.1819 55.7675 29.2610 175.6991 74 V 3.5852 7.5700 119.7095 63.4350 31.6140 174.6575 75 L 4.7487 8.2369 127.4478 53.3471 44.9219 174.9630 76 L 4.7933 8.8167 126.7238 52.9625 44.4846 175.6184 77 T 5.1809 9.2949 113.5878 60.2171 72.4153 172.3823 78 H 5.6874 9.2514 122.6721 55.0280 33.5976 172.1186 79 T 5.1021 9.1256 114.5039 60.1063 72.9211 172.5204 80 I 4.8625 8.8353 123.3982 59.7296 40.3878 174.9439 81 S 5.1032 9.1475 122.2491 56.5720 67.4211 172.7697 82 R 4.9733 8.7745 121.5830 54.6202 33.0905 174.2769 83 I 4.8798 9.0512 126.5062 59.5380 40.1895 174.3525 84 A 5.0206 8.4719 128.6025 49.5544 20.6503 177.9533 85 V 3.5483 8.6394 121.3127 65.9524 31.6907 177.1915 86 S 4.5902 8.0125 110.6500 58.6831 63.8133 173.2989 87 Y 4.3829 7.6626 121.4550 58.2698 40.5151 177.3922 88 Q 3.6324 8.6980 114.4849 56.7171 28.2183 173.9443 89 T 4.1083 7.7149 108.3651 60.9136 69.6273 174.1076 90 K 4.5132 8.5881 126.6272 55.9560 32.9927 175.9748 91 V 4.4742 8.4765 127.7794 59.4880 33.8852 174.6846 92 N 4.4993 8.8981 124.5014 54.0405 38.9930 173.9006 93 L 4.3370 8.8084 126.2314 56.0013 43.2808 177.0375 94 L 5.0813 7.4924 117.0628 53.1717 46.1267 175.6362 95 S 5.1755 8.5415 115.0143 57.3574 66.0352 172.9999 96 A 4.8740 9.1560 122.3314 50.6424 22.9554 175.0316 97 I 5.0732 8.3095 119.0681 59.4905 41.0037 175.2528 98 K 4.5261 9.0582 124.5601 54.7908 36.3491 175.7245 99 S 4.8030 8.4588 120.5131 56.0050 62.9526 172.2093 100 P 4.0092 0.0000 0.0000 63.8387 31.3150 177.3086 101 C 4.4891 7.3508 116.4543 55.1408 40.2216 173.9980 102 Q 3.7972 8.4309 126.6634 58.0019 28.3398 177.0826 103 R 4.3113 6.9583 114.1891 56.6647 33.1548 179.4842 *112 K 4.3430 7.6075 114.5577 55.7823 34.5850 172.8306 113 P 4.8141 0.0000 0.0000 62.4062 32.3036 175.4505 114 W 5.0653 8.2128 120.4147 55.0878 31.0119 174.3711 115 Y 5.2121 8.8430 118.1340 56.6337 40.7747 175.5419 116 E 4.8226 9.7716 122.9097 54.1144 32.7386 172.4249 117 P 4.7374 0.0000 0.0000 62.5197 32.6333 175.7354 118 I 4.6194 8.9052 124.0083 59.7317 39.9495 173.9502 119 Y 5.2733 8.8604 124.0560 56.2108 40.4459 175.0786 120 L 5.0100 8.9924 123.4001 53.1833 45.6342 175.8499 121 G 4.5413 8.3886 107.1264 45.6771 0.0000 172.4214 122 G 4.1920 8.6763 109.9241 45.8075 0.0000 172.0957 123 V 4.9765 7.4628 118.7909 61.1411 33.9785 174.5783 124 F 5.0013 9.3678 126.2038 55.6534 43.4510 174.1029 125 Q 4.8564 8.9006 121.1695 55.7161 29.2844 175.3678 126 L 5.0547 9.3165 123.8143 53.0006 46.1034 175.4747 127 E 4.9953 9.2492 120.5146 53.8550 33.0172 175.6036 128 K 3.8587 8.6486 121.9786 58.6798 32.3175 177.1239 129 G 3.9816 9.0098 114.7156 45.0600 0.0000 173.3407 130 D 4.6580 7.9046 120.0857 54.9117 42.4054 175.6389 131 R 5.0438 9.1050 121.1264 54.4921 33.0075 174.7666 132 L 5.1522 9.1401 124.6789 53.2495 43.9821 175.6156 133 S 5.2254 9.1225 120.1971 56.5945 65.8349 173.1174 134 A 4.8351 8.3895 124.8554 50.2202 20.7437 174.9398 135 E 5.0367 9.4024 121.4517 55.0033 34.3419 174.8637 136 I 5.8181 8.4480 113.2412 58.4874 40.6418 174.7213 137 N 4.6389 8.5274 119.2576 53.6096 38.4277 175.8362 138 R 4.6972 7.8074 118.4060 53.3775 30.5913 173.8374 139 P 4.2946 0.0000 0.0000 64.8566 31.9624 179.2653 140 D 4.2393 7.9594 117.8909 55.8158 39.6460 176.4151 141 Y 4.6941 7.9991 116.6208 57.6383 38.3115 174.8864 142 L 3.8722 7.3214 123.2716 54.7151 42.4571 176.1882 143 D 4.5246 8.5829 126.8279 52.4029 40.6584 175.3297 144 F 4.9807 7.3510 122.4968 55.9516 38.7546 177.6562 145 A 4.1975 8.4025 128.6451 56.5423 18.3316 179.4213 146 E 4.7819 7.8125 109.3611 53.9461 32.0935 177.7513 147 S 4.3616 8.3248 116.0957 60.0678 63.4433 175.2010 148 G 4.1283 9.0883 111.1934 45.5301 0.0000 174.0514 149 Q 4.4632 8.0398 118.1186 56.9547 30.6642 175.4942 150 V 4.9612 7.9148 118.9760 61.2858 34.6240 173.7878 151 Y 5.7956 8.8574 125.1923 56.4955 42.3131 173.6160 152 F 5.0736 9.0183 121.8690 57.1674 43.0932 173.2411 153 G 3.9911 8.2946 112.6066 44.8625 0.0000 171.2256 154 I 5.3867 8.3056 112.4473 59.2561 41.7432 174.4609 155 I 5.0045 9.0398 123.9598 59.4358 40.9149 174.6116 156 A 3.5493 8.9865 133.0230 52.1119 18.8924 178.0275 *157 L 3.9865 8.6841 122.3259 54.4489 41.7246 174.4062 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 10 D 8.36 4.65 0.00 2.71 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.82 4.05 0.00 1.79 1.71 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.41 7.81 12 P 0.00 4.79 0.00 2.35 2.09 0.00 3.53 0.00 0.00 3.81 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 13 V 8.51 5.12 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 0.68 0.00 0.00 1.00 0.00 0.00 14 A 8.94 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.25 4.73 0.00 3.31 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.01 5.04 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 0.74 0.00 0.00 0.68 0.00 0.00 17 V 8.65 5.55 2.29 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 0.94 0.00 0.00 1.05 0.00 0.00 18 A 8.50 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.01 4.49 0.00 2.70 2.56 0.00 0.00 7.04 7.74 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 20 P 0.00 2.97 0.00 1.92 1.94 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 21 Q 8.10 4.10 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 22 A 7.33 4.37 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.39 4.21 0.00 1.91 1.84 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 2.31 1.87 0.00 24 G 9.66 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 25 Q 7.48 4.41 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 26 L 8.14 4.18 0.00 1.37 1.43 0.01 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.86 4.60 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 28 W 9.04 5.18 0.00 3.34 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 29 L 9.30 5.04 0.00 1.62 1.55 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.04 4.76 0.00 2.84 2.96 0.00 0.00 6.14 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 31 R 7.79 4.44 0.00 1.84 1.99 0.00 3.16 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 R 7.59 4.66 0.00 1.87 1.81 0.00 3.15 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 33 A 8.44 4.16 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 34 N 9.06 4.32 0.00 2.92 2.97 0.00 0.00 6.89 7.35 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 35 A 7.75 5.08 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 36 L 9.23 4.72 0.00 1.69 1.49 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.63 5.06 0.00 1.51 1.69 0.92 0.67 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 38 A 8.64 4.65 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 9.98 4.31 0.00 3.00 3.04 0.00 0.00 7.20 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 40 G 8.55 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 41 V 7.67 3.94 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 0.72 0.00 0.00 0.97 0.00 0.00 42 E 8.76 4.84 0.00 1.89 1.78 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 2.20 2.38 0.00 43 L 8.35 5.22 0.00 1.58 1.54 1.07 1.03 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 44 R 9.10 4.56 0.00 1.82 1.70 0.00 3.30 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 45 D 9.70 4.13 0.00 2.87 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 46 N 8.70 4.59 0.00 2.93 3.06 0.00 0.00 7.01 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 47 Q 7.86 5.02 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.30 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 48 L 8.67 4.57 0.00 1.33 1.32 -0.30 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.72 4.70 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 0.95 0.00 0.00 0.92 0.00 0.00 50 V 8.49 4.13 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.87 0.00 0.00 51 P 0.00 4.38 0.00 2.20 2.32 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 52 S 7.47 4.67 0.00 3.98 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 53 E 8.90 4.16 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 54 G 8.24 3.97 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 0.00 0.00 0.00 55 L 7.61 5.22 0.00 1.77 1.48 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.18 5.12 0.00 2.97 2.85 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 57 L 8.96 4.72 0.00 1.82 1.68 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 58 I 9.45 5.26 2.14 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 1.39 1.38 1.02 0.00 0.00 59 Y 8.60 5.71 0.00 3.26 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 60 S 9.54 5.20 0.00 3.95 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 61 Q 8.65 4.71 0.00 1.70 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 1.79 1.47 0.00 62 V 8.49 4.37 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 0.27 0.00 0.00 0.68 0.00 0.00 63 L 7.80 4.75 0.00 1.86 1.49 1.06 1.05 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 64 F 9.00 5.23 0.00 3.34 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 65 K 9.23 4.01 0.00 1.18 1.23 0.00 1.64 0.00 0.00 1.42 0.00 0.00 2.67 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.54 0.21 7.81 66 G 5.49 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 0.00 0.00 0.00 67 Q 8.58 4.56 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.72 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 68 G 8.80 4.04 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 0.00 0.00 0.00 69 C 8.21 4.93 0.00 3.02 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 70 P 0.00 4.30 0.00 2.22 2.24 0.00 3.93 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 2.08 2.07 0.00 71 S 7.23 4.58 0.00 3.80 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 72 T 8.08 4.48 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 1.15 0.00 0.00 73 H 8.21 4.60 0.00 3.12 3.33 0.00 5.68 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 74 V 7.57 3.59 1.79 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 0.54 0.00 0.00 0.99 0.00 0.00 75 L 8.24 4.75 0.00 1.74 1.42 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.82 4.79 0.00 1.09 0.33 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.29 5.18 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 78 H 9.25 5.69 0.00 3.39 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.13 5.10 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 80 I 8.84 4.86 1.75 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.51 0.90 0.00 0.00 81 S 9.15 5.10 0.00 3.66 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 82 R 8.77 4.97 0.00 1.70 1.62 0.00 2.94 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 83 I 9.05 4.88 1.88 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 1.19 0.54 0.94 0.00 0.00 84 A 8.47 5.02 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 85 V 8.64 3.55 2.10 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 0.87 0.00 0.00 0.94 0.00 0.00 86 S 8.01 4.59 0.00 4.08 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 87 Y 7.66 4.38 0.00 2.96 2.95 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 88 Q 8.70 3.63 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 89 T 7.71 4.11 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 0.95 0.00 0.00 90 K 8.59 4.51 0.00 1.81 1.78 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.44 7.81 91 V 8.48 4.47 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 0.60 0.00 0.00 0.95 0.00 0.00 92 N 8.90 4.50 0.00 2.72 2.75 0.00 0.00 7.13 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.81 4.34 0.00 1.16 0.43 0.31 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.49 5.08 0.00 1.52 1.54 1.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.54 5.18 0.00 3.82 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 96 A 9.16 4.87 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 97 I 8.31 5.07 1.85 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 1.33 0.71 0.86 0.00 0.00 98 K 9.06 4.53 0.00 1.54 1.45 0.00 1.52 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.39 7.81 99 S 8.46 4.80 0.00 3.60 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 0.00 100 P 0.00 4.01 0.00 0.49 0.89 0.00 3.07 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.62 0.00 101 C 7.35 4.49 0.00 2.77 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 0.00 102 Q 8.43 3.80 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.88 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 103 R 6.96 4.31 0.00 1.76 1.64 0.00 3.30 0.00 0.00 3.28 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 *112 K 7.61 4.34 0.00 1.90 2.05 0.00 1.52 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.51 7.81 113 P 0.00 4.81 0.00 1.97 1.97 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 114 W 8.21 5.07 0.00 3.41 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.84 5.21 0.00 2.89 2.93 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 0.00 116 E 9.77 4.82 0.00 2.10 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.22 0.00 117 P 0.00 4.74 0.00 1.70 1.94 0.00 3.86 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 118 I 8.91 4.62 2.04 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 1.36 1.10 1.07 0.00 0.00 119 Y 8.86 5.27 0.00 2.87 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 0.00 120 L 8.99 5.01 0.00 1.61 1.58 0.72 0.71 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 0.00 121 G 8.39 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.68 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.46 4.98 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 0.80 0.00 0.00 0.91 0.00 0.00 124 F 9.37 5.00 0.00 3.09 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 0.00 125 Q 8.90 4.86 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 126 L 9.32 5.05 0.00 1.57 1.47 0.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.25 5.00 0.00 2.00 1.83 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 2.23 2.35 0.00 128 K 8.65 3.86 0.00 1.73 1.77 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.71 7.81 129 G 9.01 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 0.00 0.00 0.00 130 D 7.90 4.66 0.00 2.64 2.53 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 0.00 0.00 0.00 0.00 131 R 9.11 5.04 0.00 1.69 1.96 0.00 3.10 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 132 L 9.14 5.15 0.00 1.56 1.76 0.72 0.57 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 0.00 133 S 9.12 5.23 0.00 3.72 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 0.00 134 A 8.39 4.84 -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 0.00 0.00 0.00 135 E 9.40 5.04 0.00 1.89 1.85 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 2.26 2.25 0.00 136 I 8.45 5.82 2.22 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.79 0.92 0.00 0.00 137 N 8.53 4.64 0.00 2.59 3.01 0.00 0.00 6.72 7.54 0.00 0.00 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 R 7.81 4.70 0.00 2.03 2.06 0.00 3.33 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 139 P 0.00 4.29 0.00 2.15 2.28 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 140 D 7.96 4.24 0.00 2.53 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 0.00 141 Y 8.00 4.69 0.00 3.52 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 0.00 142 L 7.32 3.87 0.00 1.44 1.06 0.58 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.58 4.52 0.00 2.44 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 0.00 144 F 7.35 4.98 0.00 2.97 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 0.00 145 A 8.40 4.20 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 0.00 146 E 7.81 4.78 0.00 1.98 1.72 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 2.14 1.87 0.00 147 S 8.32 4.36 0.00 3.90 3.88 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 0.00 0.00 0.00 148 G 9.09 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 0.00 149 Q 8.04 4.46 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 150 V 7.91 4.96 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 0.97 0.00 0.00 0.86 0.00 0.00 151 Y 8.86 5.80 0.00 3.10 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 0.00 152 F 9.02 5.07 0.00 1.51 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 0.00 153 G 8.29 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 0.00 154 I 8.31 5.39 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.97 0.59 0.00 0.00 155 I 9.04 5.00 1.96 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 1.29 1.12 0.93 0.00 0.00 156 A 8.99 3.55 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 *157 L 8.68 3.99 0.00 1.36 1.44 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.