NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.2240 8.4401 121.4562 56.0565 31.0560 174.5712 7 A 4.6186 8.2789 128.8112 48.3939 22.6679 173.2780 *9 T 4.4630 9.0236 106.5452 62.1574 71.0436 171.5347 10 V 5.0829 8.2725 113.5855 59.7806 35.9381 175.7160 11 G 4.3233 8.8170 109.2695 44.8728 0.0000 172.0944 12 V 5.1435 8.4927 124.0628 59.9878 34.5385 174.4783 13 D 4.8355 8.8917 121.0991 52.6161 45.0193 173.5347 14 L 5.1303 8.6343 126.1483 53.2321 45.0527 175.3734 15 V 4.5106 8.9773 125.8608 61.1383 34.6509 174.0405 16 H 4.1987 9.0380 127.9653 55.7161 29.8869 175.5429 17 I 3.7700 8.3834 130.0849 63.9512 36.8657 176.6014 18 P 4.3026 0.0000 0.0000 65.5436 31.2485 178.8943 19 G 3.6091 7.9307 103.9319 47.6456 0.0000 175.1852 20 F 4.2076 8.4148 123.2121 61.1358 39.3749 177.0437 21 A 3.9108 8.8128 120.5324 55.2194 17.8683 179.2227 22 E 3.8416 8.3834 117.8280 59.3756 29.4096 179.1527 23 Q 3.8630 7.5333 117.0340 58.5075 28.8928 177.8976 24 L 4.0853 7.9108 120.9567 57.8537 42.2719 178.3785 25 S 4.4928 7.7352 110.7891 57.4166 64.0292 174.3337 26 R 4.1153 6.9825 120.6086 54.8649 30.1143 174.2684 27 P 4.3266 0.0000 0.0000 64.7885 31.2775 176.6908 28 G 3.9046 8.9177 110.2123 45.2308 0.0000 173.3174 29 S 4.2973 7.8561 114.4609 58.5038 62.9802 173.7278 30 T 4.6034 8.2338 121.5845 63.2789 69.3105 175.9544 31 F 4.3870 8.2585 127.3577 61.1564 39.1951 176.7455 32 E 4.0875 8.3556 117.3238 59.5307 28.7829 178.8325 33 Q 4.1692 7.6984 116.9537 58.4593 28.6495 178.3860 34 V 3.7919 7.6895 114.3902 62.1763 31.5984 175.3374 35 F 5.1653 7.2738 118.1916 55.8426 40.4839 176.5982 36 S 4.5622 9.3101 120.8985 57.0508 65.1890 173.8545 37 P 4.2301 0.0000 0.0000 65.6801 31.0449 178.2253 38 L 3.8942 8.0518 118.4914 58.6978 41.8564 178.6487 39 E 4.0711 8.1547 117.6607 59.7849 28.9287 179.8281 40 R 3.9426 8.2846 118.1742 58.8118 29.8999 178.9594 41 R 4.1171 7.8033 114.9367 58.7427 29.6941 177.8729 42 H 4.1976 8.7276 119.2972 59.0453 29.7285 176.9389 43 A 3.8107 8.0467 122.5733 55.1661 18.2843 179.2140 44 Q 3.8365 7.6853 117.1539 59.6397 28.9111 178.3100 45 T 4.0035 7.2950 110.7493 63.8501 67.4499 175.3475 46 R 4.1355 7.7805 118.7809 56.6213 30.8437 176.8033 47 R 3.8870 7.0871 115.5274 55.9112 30.0558 176.7649 *59 A 4.2289 8.4587 122.4001 51.5915 20.6173 177.7308 60 G 3.9823 7.4983 103.1842 43.9050 0.0000 173.8957 61 S 4.2533 8.5114 112.8898 61.1268 62.3806 176.7058 62 R 3.8223 7.9437 121.1042 59.8115 29.7752 178.4562 63 T 3.9346 7.8233 114.7455 66.7421 68.4679 176.1391 64 E 3.8498 8.3207 120.6083 59.7340 29.5946 178.9738 65 H 4.0403 8.4023 118.1979 59.3530 29.8543 177.3554 66 L 3.6751 8.0506 120.5213 57.5163 41.4055 179.0296 67 A 2.8463 8.1508 121.3042 55.0251 18.1426 180.0149 68 G 3.5390 7.7677 103.6367 47.8706 0.0000 176.2580 69 R 4.0314 7.8653 120.0359 58.7140 30.0647 178.7984 70 W 4.4933 8.7911 128.3187 60.6519 30.6319 177.7413 71 A 4.2422 8.4361 121.6823 54.4699 17.7205 179.3766 72 A 3.9628 8.1035 119.1226 55.2996 18.4893 179.9842 73 K 4.0401 8.1539 116.8683 59.8440 32.1811 179.4980 74 E 3.8451 7.9291 118.6099 59.2204 29.2948 179.2924 75 A 3.9968 8.3474 121.2951 54.9428 18.3673 179.4106 76 F 4.1282 8.4965 119.2785 61.5280 39.4405 177.2635 77 I 3.5257 7.8424 119.3314 64.3734 36.9626 178.4534 78 K 3.8598 7.9981 118.8604 59.4864 31.6826 179.1591 79 A 4.1507 7.7203 119.6114 54.8341 18.6620 179.3174 80 W 4.1430 7.9964 126.7828 60.7490 30.9273 178.0964 81 S 3.8762 8.1497 115.5671 62.0711 62.3910 177.0677 82 Q 4.1181 8.6622 120.3739 58.8809 28.1848 178.6688 83 A 4.2904 8.0147 122.1900 53.2044 18.7586 177.8062 84 I 4.4815 7.4786 111.2661 59.8735 38.1786 175.0758 85 Y 4.1041 7.6586 121.7323 60.7747 38.9289 176.4268 86 G 3.8304 8.5252 114.8732 44.9639 0.0000 172.9519 87 K 4.6243 7.3111 118.0264 53.3196 35.3578 174.2762 88 P 4.3997 0.0000 0.0000 61.5626 32.0438 174.4662 89 P 4.0448 0.0000 0.0000 62.9655 31.8434 177.1346 90 V 3.6618 7.9781 121.8449 65.2074 31.8089 176.2917 91 I 4.4605 6.9113 118.5270 58.8949 39.5948 175.2062 92 E 4.0301 8.5528 124.5680 55.6415 30.1859 175.6428 93 P 4.1990 0.0000 0.0000 66.2337 31.2567 178.5594 94 D 4.5328 8.1589 114.6356 56.3598 40.8553 177.5202 95 L 4.4971 7.9924 117.8504 53.4458 42.5455 176.8809 96 V 3.4532 6.9886 120.3013 62.7225 32.0616 175.3003 97 N 4.7065 8.4834 125.7576 52.3550 38.1139 175.2856 98 F 4.2618 8.8107 125.3586 59.8150 39.3753 177.5023 99 A 4.4447 7.8523 121.9322 53.4349 17.9587 177.7634 100 E 4.3443 8.2943 115.0574 56.8214 29.9257 175.9369 101 I 4.3959 7.4188 121.0496 59.3432 37.0104 172.9661 102 E 4.6005 8.7224 126.7468 54.7769 31.4570 174.6375 103 V 4.4204 9.2745 128.2989 62.0861 32.4446 174.8515 104 L 4.6919 8.8862 132.1112 52.7703 43.5513 173.4857 105 P 5.7240 0.0000 0.0000 61.4316 33.1512 176.1098 106 D 4.7300 8.4635 121.7390 52.3327 41.2216 176.7753 107 R 3.7602 8.1830 114.3125 57.9642 29.4267 177.0756 108 W 4.5113 8.6636 117.5405 56.3507 29.3083 176.8762 109 G 4.0430 8.1935 106.7835 44.9904 0.0000 174.4638 110 R 4.2874 8.0518 118.5297 56.3680 31.4317 175.8797 111 V 5.0168 8.3336 113.4206 59.6891 35.1269 174.9402 112 A 4.8130 8.6597 124.3184 50.0853 22.9471 175.0313 113 L 4.6244 8.4550 120.1080 54.2293 43.1087 176.2400 114 Q 4.3968 9.1273 124.9317 54.3189 31.7082 174.0723 115 L 5.0052 8.4162 126.5617 53.6078 43.7413 175.7826 116 K 4.5149 8.3221 120.1819 54.5094 36.9382 177.7668 117 G 3.8223 8.8183 108.6026 45.0633 0.0000 175.3413 118 E 3.8911 9.2913 120.8892 59.2631 29.4268 178.4975 119 V 3.7144 8.3867 118.1128 66.1838 31.5671 177.7703 120 A 3.8291 7.8356 119.7617 55.0044 18.2111 179.5359 121 A 3.8933 7.8892 119.0095 55.4294 18.5437 180.1449 122 K 4.1214 8.5087 117.3624 59.1039 32.1183 179.3856 123 L 3.4365 8.1260 121.4164 57.9927 41.8273 178.8288 124 Q 4.1819 8.1979 120.9601 58.6655 28.8169 178.0065 125 E 4.0857 8.1807 117.3975 58.8154 29.8847 178.7120 126 S 4.5084 8.0722 115.2186 60.4283 63.5480 174.9536 127 I 4.5802 7.5399 110.9695 59.3505 39.6571 177.0888 128 G 3.8543 8.3014 110.0386 45.6021 0.0000 172.7493 129 D 4.6135 8.5863 120.4487 54.5366 41.5573 175.8303 130 V 4.8790 8.0425 114.9064 59.5655 36.1057 174.3256 131 E 4.7366 8.9476 123.1020 54.4339 32.3471 174.5656 132 L 5.4780 8.6949 125.5404 52.9102 44.9677 175.5951 133 A 4.8751 8.9731 123.5483 50.1513 22.3975 174.7828 134 L 5.3057 8.3702 121.3874 53.8545 45.9961 175.3292 135 S 4.7582 8.5317 115.8466 57.3468 66.2697 173.1313 136 I 5.1871 8.3305 125.5924 59.7226 40.7003 174.6011 137 S 4.8938 9.2623 119.8142 57.0772 66.2007 172.4449 138 H 5.3252 8.2431 118.5632 54.5021 31.7880 171.9254 139 D 4.5306 9.2149 117.5102 54.5637 45.4804 177.7949 140 G 3.9064 8.3530 113.5689 47.4827 0.0000 173.8934 141 D 4.8458 8.8736 123.1643 53.6517 41.1964 174.4506 142 Y 5.2210 8.0304 115.8364 56.1995 42.3110 174.3147 143 A 5.3275 9.1129 124.0063 50.6871 22.7633 175.0559 144 T 5.2206 9.1303 113.2863 60.7419 71.5181 172.5599 145 A 5.2636 8.8060 127.1796 50.2715 23.5067 174.6318 146 L 5.2058 8.8759 120.5432 53.4054 46.1238 174.7925 147 C 5.3681 9.3110 125.8151 57.5850 34.8372 172.2796 148 L 5.2347 9.0714 125.8655 52.8800 44.3401 175.1686 149 L 5.3139 8.8564 124.9876 53.2479 44.9148 175.6076 150 R 5.1878 9.0427 122.7990 54.7292 32.7558 174.2017 151 Y 5.1007 8.8717 119.2973 56.2000 42.2500 173.3190 152 Q 4.5928 8.7408 120.0150 54.3764 31.6026 175.2543 153 R 4.2566 8.1476 118.3718 56.3251 30.8328 175.8290 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 6 E 8.44 4.22 0.00 1.90 1.88 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 2.12 2.28 0.00 7 A 8.28 4.62 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *9 T 9.02 4.46 4.30 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 1.41 0.00 0.00 10 V 8.27 5.08 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 0.74 0.00 0.00 0.94 0.00 0.00 11 G 8.82 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 0.00 0.00 0.00 0.00 12 V 8.49 5.14 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 0.75 0.00 0.00 0.97 0.00 0.00 13 D 8.89 4.84 0.00 2.74 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 14 L 8.63 5.13 0.00 1.67 1.56 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.98 4.51 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 1.04 0.00 0.00 1.09 0.00 0.00 16 H 9.04 4.20 0.00 3.22 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.38 3.77 1.75 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.46 0.93 0.00 0.00 18 P 0.00 4.30 0.00 2.02 2.05 0.00 2.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.03 0.00 19 G 7.93 3.61 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 0.00 20 F 8.41 4.21 0.00 3.20 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 21 A 8.81 3.91 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 22 E 8.38 3.84 0.00 2.09 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 0.00 2.28 2.48 0.00 23 Q 7.53 3.86 0.00 2.06 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.43 0.00 24 L 7.91 4.09 0.00 1.02 1.53 0.63 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.74 4.49 0.00 4.02 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 26 R 6.98 4.12 0.00 1.85 2.31 0.00 2.74 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 27 P 0.00 4.33 0.00 2.18 2.11 0.00 3.77 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 1.97 1.97 0.00 28 G 8.92 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 29 S 7.86 4.30 0.00 3.86 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 30 T 8.23 4.60 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 1.30 0.00 0.00 31 F 8.26 4.39 0.00 2.85 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 32 E 8.36 4.09 0.00 2.28 2.22 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 2.38 2.41 0.00 33 Q 7.70 4.17 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.00 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 34 V 7.69 3.79 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 0.89 0.00 0.00 -0.42 0.00 0.00 35 F 7.27 5.17 0.00 3.20 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 36 S 9.31 4.56 0.00 4.08 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 0.00 37 P 0.00 4.23 0.00 2.20 2.16 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 38 L 8.05 3.89 0.00 1.72 1.88 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.15 4.07 0.00 2.48 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 0.00 2.43 2.46 0.00 40 R 8.28 3.94 0.00 2.10 1.98 0.00 3.23 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 41 R 7.80 4.12 0.00 1.96 2.05 0.00 3.12 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 2.05 0.00 42 H 8.73 4.20 0.00 3.28 3.37 0.00 5.79 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 43 A 8.05 3.81 1.33 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 0.00 0.00 44 Q 7.69 3.84 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 45 T 7.30 4.00 4.17 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 1.03 0.00 0.00 46 R 7.78 4.14 0.00 1.75 1.84 0.00 2.98 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.56 0.00 47 R 7.09 3.89 0.00 1.92 1.89 0.00 3.07 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 *59 A 8.46 4.23 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 60 G 7.50 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 61 S 8.51 4.25 0.00 3.90 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 62 R 7.94 3.82 0.00 1.87 1.88 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 63 T 7.82 3.93 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 64 E 8.32 3.85 0.00 2.09 1.74 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 2.29 2.49 0.00 65 H 8.40 4.04 0.00 3.26 3.47 0.00 5.78 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 66 L 8.05 3.68 0.00 2.01 1.74 0.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.15 2.85 0.93 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 68 G 7.77 3.54 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 69 R 7.87 4.03 0.00 2.21 2.36 0.00 3.12 0.00 0.00 2.92 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 70 W 8.79 4.49 0.00 3.53 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 71 A 8.44 4.24 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 72 A 8.10 3.96 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 73 K 8.15 4.04 0.00 1.80 2.14 0.00 1.98 0.00 0.00 1.96 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.81 1.81 7.81 74 E 7.93 3.85 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 75 A 8.35 4.00 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 76 F 8.50 4.13 0.00 3.10 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 77 I 7.84 3.53 2.08 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 1.94 0.98 0.89 0.00 0.00 78 K 8.00 3.86 0.00 1.93 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 79 A 7.72 4.15 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 80 W 8.00 4.14 0.00 2.65 2.82 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 81 S 8.15 3.88 0.00 3.96 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 82 Q 8.66 4.12 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 83 A 8.01 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.48 4.48 1.84 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 1.17 0.70 0.93 0.00 0.00 85 Y 7.66 4.10 0.00 3.14 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 86 G 8.53 3.83 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 0.00 0.00 0.00 87 K 7.31 4.62 0.00 1.68 1.65 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.43 7.81 88 P 0.00 4.40 0.00 2.10 1.99 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 89 P 0.00 4.04 0.00 1.92 1.91 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 90 V 7.98 3.66 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 0.88 0.00 0.00 0.79 0.00 0.00 91 I 6.91 4.46 1.77 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 1.45 0.83 0.88 0.00 0.00 92 E 8.55 4.03 0.00 1.97 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 2.36 2.25 0.00 93 P 0.00 4.20 0.00 2.18 2.16 0.00 3.55 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 2.10 2.17 0.00 94 D 8.16 4.53 0.00 2.67 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 L 7.99 4.50 0.00 1.68 1.70 0.94 0.85 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 96 V 6.99 3.45 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 -0.11 0.00 0.00 0.82 0.00 0.00 97 N 8.48 4.71 0.00 2.78 2.90 0.00 0.00 7.23 7.71 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 98 F 8.81 4.26 0.00 3.29 3.26 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 0.00 99 A 7.85 4.44 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 0.00 100 E 8.29 4.34 0.00 2.22 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 2.30 2.29 0.00 101 I 7.42 4.40 2.10 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.61 0.77 0.00 0.00 102 E 8.72 4.60 0.00 2.10 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 2.26 2.28 0.00 103 V 9.27 4.42 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 0.79 0.00 0.00 1.04 0.00 0.00 104 L 8.89 4.69 0.00 1.76 1.50 0.90 0.82 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 0.00 105 P 0.00 5.72 0.00 2.02 1.98 0.00 3.33 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.38 0.00 106 D 8.46 4.73 0.00 3.06 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 0.00 107 R 8.18 3.76 0.00 1.17 1.68 0.00 2.49 0.00 0.00 2.91 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 108 W 8.66 4.51 0.00 3.47 3.16 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 0.00 109 G 8.19 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 0.00 110 R 8.05 4.29 0.00 2.08 1.92 0.00 3.25 0.00 0.00 3.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 111 V 8.33 5.02 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 0.77 0.00 0.00 0.96 0.00 0.00 112 A 8.66 4.81 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 0.00 113 L 8.45 4.62 0.00 1.45 1.37 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 9.13 4.40 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.20 2.24 0.00 115 L 8.42 5.01 0.00 1.38 1.35 0.54 -0.01 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 0.00 116 K 8.32 4.51 0.00 1.78 1.83 0.00 1.45 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.36 7.81 117 G 8.82 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 0.00 118 E 9.29 3.89 0.00 2.07 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 0.00 2.45 2.42 0.00 119 V 8.39 3.71 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 0.93 0.00 0.00 1.12 0.00 0.00 120 A 7.84 3.83 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 0.00 121 A 7.89 3.89 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 0.00 122 K 8.51 4.12 0.00 2.17 2.17 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.53 7.81 123 L 8.13 3.44 0.00 0.78 1.47 -0.32 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.20 4.18 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 125 E 8.18 4.09 0.00 2.21 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 0.00 2.64 2.37 0.00 126 S 8.07 4.51 0.00 4.25 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 0.00 127 I 7.54 4.58 1.61 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.82 0.00 0.00 128 G 8.30 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 0.00 0.00 0.00 129 D 8.59 4.61 0.00 2.70 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 0.00 130 V 8.04 4.88 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 0.66 0.00 0.00 0.89 0.00 0.00 131 E 8.95 4.74 0.00 2.04 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 2.26 0.00 132 L 8.69 5.48 0.00 1.53 1.57 0.88 0.91 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 0.00 133 A 8.97 4.88 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 0.00 134 L 8.37 5.31 0.00 1.62 1.51 0.99 0.87 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 0.00 135 S 8.53 4.76 0.00 3.93 3.64 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 0.00 136 I 8.33 5.19 1.90 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 1.26 0.82 0.96 0.00 0.00 137 S 9.26 4.89 0.00 3.83 3.64 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 0.00 138 H 8.24 5.33 0.00 3.35 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 9.21 4.53 0.00 2.71 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 0.00 140 G 8.35 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 0.00 0.00 0.00 141 D 8.87 4.85 0.00 2.66 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 0.00 0.00 0.00 0.00 142 Y 8.03 5.22 0.00 3.02 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 0.00 143 A 9.11 5.33 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 0.00 144 T 9.13 5.22 4.29 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 1.29 0.00 0.00 145 A 8.81 5.26 1.24 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 0.00 146 L 8.88 5.21 0.00 1.67 1.47 0.94 0.81 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 0.00 147 C 9.31 5.37 0.00 3.06 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 0.00 148 L 9.07 5.23 0.00 1.58 1.56 0.95 0.19 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 0.00 149 L 8.86 5.31 0.00 1.67 1.57 0.89 0.76 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 0.00 150 R 9.04 5.19 0.00 1.93 2.02 0.00 2.83 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 151 Y 8.87 5.10 0.00 3.09 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 0.00 152 Q 8.74 4.59 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 153 R 8.15 4.26 0.00 1.76 1.76 0.00 3.50 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 * Residues marked with a * may have inaccurate shift predictions.