NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.1124 8.3401 118.8175 56.2997 29.7048 174.7112 4 A 4.1323 7.4083 119.1038 53.5383 21.5748 176.4724 5 Q 4.2815 8.1159 114.4652 55.6363 30.9896 175.6069 6 T 3.9167 7.5938 114.7684 63.7069 67.4660 175.4699 7 R 3.7304 7.8120 120.4709 60.1945 30.1355 177.8043 8 D 4.4531 8.3647 118.5426 56.8144 40.2417 178.5202 9 Q 3.9254 7.7414 120.3755 58.9731 29.1164 177.7082 10 I 3.7198 7.5593 119.0628 63.5715 37.9423 177.9990 11 V 3.3714 7.6176 119.1689 65.8550 31.2856 177.8914 12 A 3.8765 7.8178 119.7874 54.8145 18.2344 179.2290 13 A 3.9637 7.5042 117.8381 54.6493 18.8336 179.6121 14 A 3.4489 7.8731 119.4982 54.6783 18.2475 179.2571 15 D 4.1615 7.9837 117.0094 57.4538 41.1985 178.2342 16 E 3.8971 7.7435 119.6186 59.2702 29.6500 178.6811 17 L 3.9313 7.5858 118.4612 57.8846 41.7503 179.4142 18 F 4.8096 8.4472 119.3905 60.3196 38.6679 177.1951 19 Y 4.3377 7.8997 117.6937 60.9207 38.7526 177.8574 20 R 2.7413 7.8632 117.1777 57.3411 30.2850 177.7919 21 Q 4.5510 8.6278 116.1756 54.1144 31.2964 176.8116 22 G 4.0742 7.7968 105.1923 45.3811 0.0000 174.3340 23 F 3.5131 9.4517 121.7893 60.4861 39.6137 177.9765 24 A 3.2910 8.1355 122.1662 54.4554 18.3271 177.9528 25 Q 4.3847 7.8307 112.3732 56.0432 28.9172 175.1978 26 T 4.7056 7.0581 115.1762 62.0317 70.3506 174.5299 27 S 4.7757 8.2643 119.0260 55.8899 67.1461 175.4064 28 F 4.1463 8.3253 119.6102 60.5434 38.4874 177.9838 29 V 3.9688 7.7116 119.5408 65.1521 30.8247 177.4955 30 D 4.3625 8.0724 119.0163 57.4627 40.7975 179.5067 31 I 3.7479 8.5281 120.3153 64.5311 37.3247 178.9133 32 S 4.4222 9.8600 114.6620 61.3770 62.5205 176.4625 33 A 3.9754 8.6275 124.0809 54.6363 18.1800 178.9288 34 A 4.0872 7.4620 118.5128 55.6799 18.5362 179.9819 35 V 3.9856 7.1568 108.2484 62.3413 32.5026 177.0904 36 G 4.0887 9.0744 107.6937 46.2737 0.0000 172.2419 37 I 4.4682 7.5574 117.6110 58.8464 40.5908 174.6045 38 S 4.8091 8.2560 115.7356 55.9993 66.8143 174.4842 39 R 4.1885 8.7031 120.5857 60.2133 29.5674 178.3172 40 G 3.7477 8.1931 104.5736 47.8010 0.0000 174.9451 41 N 4.5847 7.8010 117.5220 56.1996 38.8786 176.5408 42 F 4.1120 8.6457 122.4845 61.2912 39.5103 177.0359 43 Y 5.0800 7.9948 116.0813 60.4021 37.6978 177.3632 44 Y 4.2000 7.5967 118.5963 61.7758 38.8098 177.1122 45 H 4.0991 7.9890 117.0651 57.5730 29.7174 176.1213 46 F 5.1148 7.6978 117.0479 55.7475 42.5218 175.2910 47 K 4.8569 9.0137 122.7269 57.2668 33.5877 176.9848 48 T 5.0658 7.9679 107.5666 59.1115 73.3055 174.8858 49 K 4.4731 8.6229 120.8453 59.8680 32.1684 179.4523 50 D 4.6317 8.3790 118.6402 57.0360 40.2609 178.5247 51 E 4.1022 8.3098 119.0351 59.6522 29.5884 179.2777 52 I 3.0588 7.4301 118.3659 64.0770 37.0373 178.2098 53 L 4.2233 8.4372 120.9722 58.1189 41.9107 178.6415 54 A 4.1681 8.0690 120.6916 55.6748 18.2863 179.6173 55 E 4.0195 7.9895 116.1628 59.3390 29.4792 179.7928 56 V 3.5844 8.0309 118.5885 65.8820 31.5977 178.2131 57 I 3.6699 8.0499 119.7441 64.4079 37.0752 178.1707 58 R 3.8795 7.9345 118.8718 59.4394 29.8824 178.3427 59 L 3.8916 8.2182 119.9736 58.7322 41.8929 179.5461 60 R 3.8602 8.4078 117.9208 59.0174 29.9292 179.0434 61 L 3.8913 8.0453 118.7529 57.5901 41.5784 179.2647 62 A 3.8339 7.7781 120.0938 55.3626 18.2241 179.7730 63 R 3.7477 7.8309 115.4641 59.2834 30.2094 178.2929 64 T 3.9315 7.0651 113.2722 63.9323 69.5222 176.4260 65 A 3.9026 7.3238 122.1105 54.5707 19.2221 179.6021 66 Q 3.6789 7.5522 115.4179 57.2422 29.4658 177.6546 *68 L 2.6001 7.8376 118.0742 53.4528 43.7150 178.0006 69 A 4.2048 7.3930 119.9751 55.7408 19.2083 179.2848 70 D 4.3401 7.9669 116.3679 56.8335 40.4308 179.1928 71 W 4.6039 8.0370 119.4674 59.7831 29.2645 178.1937 72 Q 4.1347 8.1848 117.6401 57.9245 28.6465 177.3646 73 G 3.5487 9.2679 107.3915 45.8959 0.0000 174.7044 74 T 4.0717 5.8611 111.2208 64.3483 69.5792 176.0892 75 G 3.7392 7.6746 110.9402 45.2995 0.0000 172.7448 76 D 4.8650 8.7294 122.5963 52.9138 39.7415 175.4111 77 S 4.7938 7.5724 114.7040 55.7363 67.2695 173.1364 78 P 4.2503 0.0000 0.0000 66.4443 31.1756 178.7443 79 R 3.8352 7.8655 118.4444 58.2291 30.1978 177.9660 80 A 4.1613 8.0245 120.1959 54.6385 17.7494 179.0632 81 R 4.4488 7.7825 116.0674 58.3598 30.6244 178.9875 82 I 4.1545 7.4968 119.2607 64.1238 37.2549 177.9601 83 A 4.1407 8.5368 121.8291 54.8246 17.9186 179.8355 84 S 3.6910 7.3412 112.4139 61.0883 63.0381 176.3767 85 F 3.4638 7.2077 123.8195 61.1914 39.0779 177.3565 86 I 3.5928 7.5842 117.9266 64.2326 37.0182 177.4406 87 D 4.5974 7.7800 116.8412 54.5749 41.1317 179.0143 88 L 4.1182 7.0294 122.6167 54.6058 42.1707 177.0204 *90 I 3.9488 7.5760 114.7346 61.0714 38.6959 175.9482 *92 N 4.7041 7.9068 116.4887 52.9785 40.0367 177.1572 93 R 3.9119 8.1539 117.8104 59.2210 29.6745 177.6329 94 A 3.9457 7.9222 121.0093 54.9919 18.5664 179.5669 95 K 4.0875 8.0839 116.5766 59.7307 32.1497 179.5438 96 I 4.1504 8.1130 121.6663 64.2355 37.0605 178.4588 97 T 3.8613 8.0251 113.9793 64.6663 66.8816 176.1452 98 R 3.8434 7.5711 119.4434 58.2897 30.4376 176.9981 99 Y 4.7565 8.0136 113.1207 56.4439 39.3551 176.6601 100 G 3.9991 8.3409 109.5702 44.3022 0.0000 172.3926 101 C 4.3710 8.3721 118.3703 58.5519 32.1831 172.4235 102 P 3.9692 0.0000 0.0000 65.9776 30.7016 179.0677 103 V 3.4815 7.4858 118.0317 65.2410 31.4673 177.9780 104 G 3.8451 8.0566 106.4889 47.4317 0.0000 175.6534 105 S 4.2028 8.1580 117.1393 60.6558 62.8861 176.4263 106 L 3.8859 7.6033 122.7051 58.3803 41.9764 178.6294 107 C 4.2745 8.2292 117.0982 63.0852 27.9898 176.3653 108 T 3.9841 8.3659 111.7223 64.6762 68.4488 176.3686 109 E 3.9251 8.1935 122.1844 59.1328 29.6531 178.9009 110 L 3.9536 8.3253 119.3794 57.5232 41.7047 179.5472 111 S 4.0786 8.1158 113.3643 61.0622 62.1650 175.9126 112 K 3.8894 8.0105 121.2147 59.7892 32.0912 178.3901 113 L 4.0365 7.7876 117.5446 55.6737 41.7029 176.6927 114 D 4.4906 7.7947 115.9657 55.4069 40.0420 173.2500 115 H 4.3684 8.5078 117.0551 55.1016 30.6234 175.7560 116 A 3.9197 8.2584 128.2075 55.0116 18.4961 178.1975 117 A 4.4244 8.0681 116.5735 52.4181 19.3985 178.5200 118 Q 4.0615 8.2112 119.1498 59.1395 28.6325 178.8494 119 G 3.6520 8.0129 105.6465 47.8428 0.0000 174.9422 120 Q 4.0975 8.0506 121.8362 58.7196 29.0620 177.7463 121 A 3.9605 8.0901 121.8470 55.3482 18.3770 178.8564 122 N 4.7079 8.5079 114.5118 55.7631 38.9661 177.0753 123 G 3.7993 8.1033 107.0190 47.5434 0.0000 175.9067 124 L 4.0300 7.6973 121.6843 57.8227 41.6575 179.2521 125 F 4.6146 8.1442 117.1214 61.1893 38.9547 177.4479 126 T 3.9991 8.5217 115.6000 67.4880 68.3926 175.2817 127 L 3.8012 9.0674 120.5935 58.2258 41.7317 178.8777 128 F 4.0433 8.2675 116.8927 60.7511 39.5443 178.1862 129 R 4.0102 8.4334 118.2756 59.8089 30.0039 178.4855 130 D 4.5141 8.4115 118.4782 56.6835 40.7229 178.7530 131 W 4.1226 8.2348 128.8700 60.4914 30.7919 178.2244 132 L 4.0966 8.5053 118.5555 57.3593 40.9936 179.1212 133 Q 4.1541 8.0215 119.5557 58.6755 28.9014 177.8616 134 R 3.8353 7.6901 119.6676 59.3986 30.0230 178.5224 135 Q 3.7203 7.6055 117.7342 58.8165 28.5536 178.7601 136 F 4.0948 8.3686 118.7347 60.8308 38.8734 176.9408 137 A 4.4710 8.1168 121.3119 55.1692 17.8361 179.0671 138 E 3.8580 8.6393 116.1138 59.6481 29.8143 179.5523 139 A 4.0837 8.4589 122.0420 54.2832 18.5582 176.9419 140 G 3.3235 6.0492 110.4373 45.1506 0.0000 173.0160 141 C 4.4644 8.3740 123.0997 58.2411 32.9408 174.5654 142 T 4.1280 8.4573 125.0405 66.2230 68.6156 176.7507 143 T 4.0820 7.9075 117.0664 65.3961 68.8560 175.3554 144 E 4.4032 7.9837 118.8975 55.5968 30.2524 176.7622 145 A 3.7767 7.9710 120.5672 55.8748 18.0646 177.3284 146 P 4.1034 0.0000 0.0000 66.1094 31.5242 178.3802 147 A 4.1025 7.6254 118.3165 55.1019 18.6753 179.4254 148 L 4.1445 7.7392 117.2521 57.4663 41.3808 179.3539 149 A 4.1025 7.3269 118.3899 53.5015 18.0354 178.3428 *151 H 4.5305 8.2637 119.2666 57.2948 31.6750 175.4190 152 L 3.5052 7.9167 120.5113 57.7593 41.7165 178.3139 153 L 4.0496 8.2564 120.5002 58.1924 41.9200 178.9183 154 A 3.8919 7.7403 119.8499 55.2432 18.4552 179.2413 155 R 3.7242 8.2295 117.6636 59.7981 30.1962 179.4088 156 S 4.1865 8.2505 113.4152 61.3277 62.6985 176.4505 157 Q 4.2009 8.0373 122.2051 58.6115 28.5183 178.5914 158 G 3.7083 8.2314 106.7350 47.6022 0.0000 175.7474 159 A 4.1094 8.0923 122.8803 54.8793 18.3883 179.6431 160 A 3.9707 8.0086 119.3170 55.5508 18.3512 179.7668 161 T 3.8633 8.4604 114.5575 67.0693 68.6266 176.7607 162 L 4.1356 8.1082 120.3411 57.7125 41.5641 179.4384 163 A 4.1658 8.4608 120.8437 55.4589 18.1637 179.5412 164 Q 4.6212 8.3323 118.4788 58.8258 29.1619 177.9153 165 S 4.2048 7.7377 113.5155 60.4780 62.5989 175.0850 166 F 4.3187 8.2497 117.6782 56.4916 39.7768 175.4281 167 H 4.0153 7.6669 115.1308 57.3842 26.2282 175.9942 168 D 4.8479 8.3103 120.2239 52.1005 41.3912 175.4551 169 E 4.1656 8.5668 126.6292 58.2179 29.7654 178.2944 170 G 3.6918 8.1826 105.8280 47.7966 0.0000 175.1442 171 F 4.2527 8.1478 123.6218 61.0127 39.3210 176.8125 172 L 3.5617 7.6138 119.1277 58.1426 41.7150 179.3565 173 R 3.8868 7.5214 116.6172 59.1194 29.8887 178.8000 174 S 4.0873 7.8182 113.8870 61.7222 63.1274 176.5904 175 E 3.8102 8.3758 121.4740 59.4362 29.0061 179.6151 176 V 3.5485 7.5547 116.4792 65.8753 31.7736 177.5842 177 A 4.2393 8.0379 120.7746 54.6297 18.1720 178.3299 178 D 4.5802 7.9037 116.6902 55.0686 41.7579 178.0815 *180 H 4.7600 8.1709 115.9970 55.6741 31.1151 176.0218 181 R 3.9495 8.2123 118.2079 59.0809 29.6421 178.7752 182 W 4.1807 8.2670 126.7391 60.5262 30.9823 177.1743 183 L 3.7268 8.3053 119.6448 58.1871 41.3826 178.3123 184 D 4.3727 8.2348 118.7129 57.5612 40.5786 179.2263 185 N 4.7738 7.6400 113.2076 53.8199 38.6177 175.5784 186 T 4.1958 7.7281 116.0319 65.0294 70.9089 175.0200 187 L 4.2794 7.6764 119.9237 54.3850 43.5773 177.8232 188 P 4.6008 0.0000 0.0000 63.1828 30.1342 175.7383 *190 T 4.0846 8.8454 113.8607 63.6927 68.7537 173.1437 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 3 Q 8.34 4.11 0.00 1.79 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 4 A 7.41 4.13 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.12 4.28 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.88 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 6 T 7.59 3.92 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 1.00 0.00 0.00 7 R 7.81 3.73 0.00 1.87 1.84 0.00 3.08 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 1.73 1.61 0.00 8 D 8.36 4.45 0.00 2.79 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 9 Q 7.74 3.93 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 10 I 7.56 3.72 1.72 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 1.03 0.00 0.00 11 V 7.62 3.37 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 0.98 0.00 0.00 1.03 0.00 0.00 12 A 7.82 3.88 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 13 A 7.50 3.96 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 14 A 7.87 3.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.98 4.16 0.00 2.72 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 16 E 7.74 3.90 0.00 2.05 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 2.27 2.34 0.00 17 L 7.59 3.93 0.00 1.71 1.74 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.45 4.81 0.00 3.05 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 19 Y 7.90 4.34 0.00 2.86 3.13 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 20 R 7.86 2.74 0.00 1.52 1.28 0.00 2.97 0.00 0.00 2.97 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 21 Q 8.63 4.55 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.39 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 22 G 7.80 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 23 F 9.45 3.51 0.00 2.56 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 24 A 8.14 3.29 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 25 Q 7.83 4.38 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 26 T 7.06 4.71 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 27 S 8.26 4.78 0.00 3.91 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 28 F 8.33 4.15 0.00 2.70 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 0.00 0.00 0.00 0.00 29 V 7.71 3.97 2.03 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 0.99 0.00 0.00 0.90 0.00 0.00 30 D 8.07 4.36 0.00 3.09 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 31 I 8.53 3.75 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.10 0.95 0.00 0.00 32 S 9.86 4.42 0.00 4.11 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 33 A 8.63 3.98 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 A 7.46 4.09 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 35 V 7.16 3.99 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 0.71 0.00 0.00 1.02 0.00 0.00 36 G 9.07 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 0.00 0.00 0.00 37 I 7.56 4.47 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.66 0.93 0.00 0.00 38 S 8.26 4.81 0.00 4.10 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 39 R 8.70 4.19 0.00 2.10 2.11 0.00 3.20 0.00 0.00 3.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.96 0.00 40 G 8.19 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 N 7.80 4.58 0.00 2.94 3.00 0.00 0.00 7.20 6.90 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 42 F 8.65 4.11 0.00 3.12 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 43 Y 7.99 5.08 0.00 3.18 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 44 Y 7.60 4.20 0.00 3.16 2.88 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 45 H 7.99 4.10 0.00 2.70 2.61 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.70 5.11 0.00 2.49 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.01 4.86 0.00 2.23 2.10 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.52 7.81 48 T 7.97 5.07 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 1.42 0.00 0.00 49 K 8.62 4.47 0.00 1.85 1.98 0.00 1.36 0.00 0.00 1.54 0.00 0.00 2.24 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.59 1.18 7.81 50 D 8.38 4.63 0.00 2.83 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 51 E 8.31 4.10 0.00 2.65 2.49 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 2.52 2.56 0.00 52 I 7.43 3.06 1.99 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 0.27 0.83 0.43 0.00 0.00 53 L 8.44 4.22 0.00 1.93 1.89 0.76 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.10 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 0.00 124 L 7.70 4.03 0.00 1.69 1.76 0.93 1.01 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 0.00 125 F 8.14 4.61 0.00 3.38 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 0.00 126 T 8.52 4.00 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 1.27 0.00 0.00 127 L 9.07 3.80 0.00 1.94 1.48 0.71 0.49 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 0.00 128 F 8.27 4.04 0.00 3.49 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 0.00 129 R 8.43 4.01 0.00 2.11 2.27 0.00 3.13 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 130 D 8.41 4.51 0.00 2.83 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 0.00 131 W 8.23 4.12 0.00 3.39 3.44 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 0.00 132 L 8.51 4.10 0.00 1.99 1.94 0.34 0.85 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 0.00 133 Q 8.02 4.15 0.00 2.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.36 0.00 134 R 7.69 3.84 0.00 1.82 1.86 0.00 2.95 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.56 0.00 135 Q 7.61 3.72 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 136 F 8.37 4.09 0.00 3.16 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 0.00 137 A 8.12 4.47 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 0.00 138 E 8.64 3.86 0.00 1.87 1.94 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 2.31 2.53 0.00 139 A 8.46 4.08 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 0.00 140 G 6.05 3.32 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 0.00 141 C 8.37 4.46 0.00 2.92 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 0.00 142 T 8.46 4.13 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 1.21 0.00 0.00 143 T 7.91 4.08 4.23 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 1.20 0.00 0.00 144 E 7.98 4.40 0.00 2.02 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 2.24 2.30 0.00 145 A 7.97 3.78 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 0.00 146 P 0.00 4.10 0.00 1.99 2.11 0.00 3.62 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 2.01 2.39 0.00 147 A 7.63 4.10 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 0.00 148 L 7.74 4.14 0.00 0.70 1.11 0.73 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.33 4.10 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 *151 H 8.26 4.53 0.00 3.19 3.52 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 7.92 3.51 0.00 1.96 1.89 1.00 0.64 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 0.00 153 L 8.26 4.05 0.00 2.00 1.62 1.13 1.40 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 0.00 154 A 7.74 3.89 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.23 3.72 0.00 1.71 1.86 0.00 3.07 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.21 0.00 156 S 8.25 4.19 0.00 4.02 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 0.00 157 Q 8.04 4.20 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 158 G 8.23 3.71 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 0.00 0.00 0.00 159 A 8.09 4.11 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.01 3.97 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 0.00 161 T 8.46 3.86 4.34 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 1.27 0.00 0.00 162 L 8.11 4.14 0.00 2.07 1.56 0.67 0.85 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 0.00 163 A 8.46 4.17 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 4.62 0.00 2.24 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.21 0.00 165 S 7.74 4.20 0.00 3.85 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 0.00 166 F 8.25 4.32 0.00 3.11 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 0.00 167 H 7.67 4.02 0.00 3.24 3.31 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 8.31 4.85 0.00 2.88 2.62 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 0.00 169 E 8.57 4.17 0.00 2.10 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 2.39 2.39 0.00 170 G 8.18 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 0.00 171 F 8.15 4.25 0.00 2.97 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 0.00 172 L 7.61 3.56 0.00 1.95 1.64 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 173 R 7.52 3.89 0.00 2.12 1.93 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 174 S 7.82 4.09 0.00 3.82 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 0.00 175 E 8.38 3.81 0.00 1.52 1.67 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 1.47 1.57 0.00 176 V 7.55 3.55 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 0.89 0.00 0.00 0.90 0.00 0.00 177 A 8.04 4.24 1.42 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 0.00 0.00 178 D 7.90 4.58 0.00 2.81 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 *180 H 8.17 4.76 0.00 3.46 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 8.21 3.95 0.00 1.96 2.06 0.00 3.17 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 182 W 8.27 4.18 0.00 3.32 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 L 8.31 3.73 0.00 1.98 1.93 0.83 1.27 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 0.00 184 D 8.23 4.37 0.00 2.97 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 0.00 185 N 7.64 4.77 0.00 2.62 2.76 0.00 0.00 6.92 7.60 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 0.00 186 T 7.73 4.20 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 0.95 0.00 0.00 187 L 7.68 4.28 0.00 1.55 1.53 0.81 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.60 0.00 2.14 1.20 0.00 3.79 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 1.96 2.10 0.00 *190 T 8.85 4.08 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.