NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2754 8.1727 121.7916 56.0426 34.6159 177.3918 3 Q 3.8683 8.0394 119.5239 57.8241 28.7032 176.1978 4 T 3.8657 8.6489 110.9502 65.1279 69.3525 175.5037 5 E 4.0979 8.1402 121.0282 58.5454 29.2781 178.9026 6 L 4.1332 7.6672 120.1382 57.9348 42.4631 178.5155 7 L 4.1584 7.9604 118.0247 55.4177 41.6515 177.2821 8 K 4.0096 6.8602 117.8719 57.9521 32.5011 175.9820 9 G 4.2949 8.8614 119.0629 46.3179 0.0000 175.5016 10 I 3.6736 7.7005 120.6655 63.7689 37.1680 177.9505 11 L 3.5709 8.1910 121.0717 58.1175 41.7188 178.7099 12 E 3.8253 7.9272 117.8912 59.5097 29.4143 179.5299 13 G 2.1483 6.6989 103.8897 47.2056 0.0000 175.6687 14 L 3.8072 7.1598 121.1627 57.2835 41.4428 179.8744 15 V 3.4011 7.5418 118.1691 65.8260 31.5898 177.7294 16 L 3.8458 7.7127 118.7077 58.0587 41.3177 179.5246 17 A 4.1431 8.3904 120.4960 55.2905 18.1872 179.7858 18 I 3.7230 8.0380 118.5142 64.7021 36.9938 178.8276 19 I 4.0245 7.8506 121.0919 63.5985 36.8904 178.0710 20 Q 4.1559 7.8256 119.8266 59.3572 29.0947 178.2257 21 R 4.1722 7.6556 116.7987 57.2493 30.4088 176.6088 22 K 4.4652 7.3645 118.3279 54.8721 35.5918 173.6427 23 E 4.7490 8.8498 127.2520 56.6171 30.3977 175.3369 24 T 5.0521 8.5967 121.2361 61.4925 71.9142 171.0085 25 Y 5.0424 7.4693 117.3565 54.2954 41.5478 176.5301 26 G 3.7311 9.2042 105.5149 48.7651 0.0000 174.9932 27 Y 4.3497 7.8567 118.6944 60.6963 37.9482 178.7724 28 E 3.7427 7.5053 119.3636 59.0706 29.7284 178.6922 29 I 3.6272 7.8354 120.2681 64.7096 37.0219 178.4758 30 T 3.8759 7.9224 116.5191 66.3256 68.1071 176.6468 31 K 3.9352 7.6450 121.0335 59.6225 32.1491 178.9509 32 I 3.7091 7.8590 119.0941 64.2324 37.2375 177.9989 33 L 4.2534 8.0229 121.1868 58.3667 41.5327 178.7271 34 N 5.0859 8.1392 117.7619 55.7551 38.1349 176.0883 35 D 4.7645 8.1921 118.4191 54.6244 40.9512 177.1761 36 Q 4.4012 7.8464 122.0354 56.7496 30.3238 175.7752 37 G 3.9600 6.8788 104.2407 45.7992 0.0000 171.8060 38 F 4.0707 8.6442 116.9013 58.8525 35.4292 176.8479 39 T 4.2525 7.6636 117.2489 65.0610 69.5255 176.6589 40 E 4.2326 8.1857 119.5065 56.6860 29.7075 176.3155 41 I 4.1123 7.1502 118.1362 60.8841 36.7015 176.0620 42 V 4.0553 7.9860 119.4241 60.2839 32.7472 177.6374 43 E 4.3229 8.2856 122.2137 59.1215 29.2329 179.4642 44 G 3.8964 8.1970 106.1331 48.1695 0.0000 175.5739 45 T 3.8772 7.8562 117.3314 66.2627 68.2955 177.0631 46 V 3.5419 7.5651 119.8877 66.0067 31.7454 177.3012 47 Y 4.1701 8.5476 119.6743 61.0524 38.4077 178.2491 48 T 3.6871 8.1813 116.8960 66.4345 68.4294 176.8559 49 I 3.6681 7.3673 121.2697 64.3285 37.0630 178.4827 50 L 3.7734 7.9875 120.0713 57.6458 41.3404 179.4666 51 L 3.8540 7.5717 118.8820 57.8794 41.5071 179.6720 52 R 3.8107 7.6279 118.5232 59.2378 30.0019 178.5715 53 L 4.2091 8.1852 119.1336 57.6389 41.5306 179.2313 54 E 4.1320 8.4270 118.7942 59.4498 29.2733 179.1408 55 K 3.7588 7.7593 118.0687 59.5596 32.3012 177.6567 56 N 4.0390 7.4638 113.1676 52.5225 38.4268 175.1669 57 Q 3.6153 7.6695 118.6215 56.8353 26.8888 174.5211 58 W 4.9179 7.8815 119.0242 58.3799 30.2178 176.7003 59 V 5.2174 7.8231 111.6245 59.4969 35.4115 174.6527 60 I 4.7176 8.7016 116.2088 59.1601 40.4174 174.2471 61 A 5.0764 8.4097 124.4747 50.2820 22.1308 175.0225 62 E 4.6411 9.0683 120.1328 54.4172 33.7691 174.4203 63 K 4.7794 8.6541 125.8012 56.2875 32.7726 176.3480 64 K 4.7334 9.3900 123.7290 54.2159 36.6742 174.3251 65 P 4.8744 0.0000 0.0000 62.7103 32.0977 176.0279 66 S 4.9085 8.2655 115.3187 55.6880 66.1799 174.6851 67 E 4.3510 8.4483 120.4594 55.9013 29.1148 175.1458 *70 P 4.2900 0.0000 0.0000 62.4035 32.8290 178.0730 *72 R 4.1988 8.1968 125.2185 56.8770 31.9052 174.0502 73 K 4.7003 8.3943 122.1665 55.6741 32.6517 175.4750 74 F 5.0402 9.4363 127.7282 56.3117 40.8759 174.7167 75 Y 5.2707 9.0369 120.7639 56.4211 40.6534 175.0661 76 R 5.0836 8.8311 121.4523 54.0640 34.2575 175.1992 77 L 4.8076 8.5991 121.4599 55.2292 42.7583 177.1198 78 T 4.5126 8.5986 113.5410 60.6432 71.0391 175.9394 79 S 4.2021 8.7151 116.2875 61.5131 63.0064 176.4945 80 S 4.3461 8.2431 117.6841 61.2564 62.8770 176.5934 81 G 3.6484 8.3667 109.3735 47.4327 0.0000 175.3524 82 E 3.9811 8.4189 121.5204 59.0984 29.6171 178.8029 83 A 4.0509 8.1288 120.9205 54.9333 18.3431 179.5132 84 E 3.6034 7.9264 117.1905 59.3309 29.4842 178.9959 85 L 3.7071 7.7643 120.0415 58.3089 42.0486 178.9061 86 A 4.2234 8.0462 120.4187 55.3768 18.3077 179.1333 87 D 4.3040 8.4783 116.9876 57.2443 41.2241 178.2206 88 F 4.1084 8.4395 121.7343 61.0685 39.2672 177.1812 89 W 4.2313 7.8991 118.5623 59.6165 28.8067 178.0954 90 Q 4.0145 8.0187 119.1626 59.5816 28.4910 178.9559 91 R 3.9393 7.9688 118.9009 58.7242 30.0345 178.8248 92 W 4.0497 8.3484 128.6398 60.7541 30.7544 177.8846 93 T 3.6884 8.2434 115.9880 66.6590 67.9148 176.2010 94 L 3.8274 7.6045 121.4265 57.9878 42.0699 178.7045 95 L 3.8064 8.0673 120.9306 58.1733 41.9552 179.0724 96 S 3.7602 7.4722 114.0288 60.5242 63.0168 176.2529 97 K 3.7653 7.6033 123.3430 59.6601 31.7102 178.8169 98 Q 3.9489 7.6702 116.8797 58.7665 28.6657 178.5695 99 V 3.6851 7.6767 118.6774 66.0469 32.0120 177.5207 100 N 4.4844 8.3567 116.6363 55.9110 38.3007 177.9854 101 K 4.2426 7.7860 119.9077 56.3100 32.0137 178.6468 *103 K 4.1521 7.9638 118.3604 55.8538 33.8546 176.5798 104 K 3.8852 7.8591 117.8582 58.2904 32.3208 176.0304 105 N 4.5913 8.1299 120.5496 54.0501 40.3678 173.2977 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 2 K 8.17 4.28 0.00 1.82 1.89 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 3 Q 8.04 3.87 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 4 T 8.65 3.87 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 1.28 0.00 0.00 5 E 8.14 4.10 0.00 2.17 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 0.00 2.40 2.31 0.00 6 L 7.67 4.13 0.00 1.88 1.84 0.98 1.18 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 7 L 7.96 4.16 0.00 1.72 1.56 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 K 6.86 4.01 0.00 1.95 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 9 G 8.86 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 0.00 0.00 0.00 0.00 10 I 7.70 3.67 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.01 0.66 0.00 0.00 11 L 8.19 3.57 0.00 1.67 1.48 0.52 0.94 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 12 E 7.93 3.83 0.00 1.96 1.76 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 2.32 2.34 0.00 13 G 6.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.16 3.81 0.00 1.54 1.53 0.23 0.54 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 15 V 7.54 3.40 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 0.94 0.00 0.00 0.82 0.00 0.00 16 L 7.71 3.85 0.00 1.71 1.52 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.39 4.14 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.04 3.72 1.97 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 1.54 1.36 0.89 0.00 0.00 19 I 7.85 4.02 2.00 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 1.40 0.95 1.03 0.00 0.00 20 Q 7.83 4.16 0.00 2.15 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 21 R 7.66 4.17 0.00 1.85 2.01 0.00 3.29 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 22 K 7.36 4.47 0.00 1.78 1.64 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.50 7.81 23 E 8.85 4.75 0.00 2.12 1.97 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 2.64 2.71 0.00 24 T 8.60 5.05 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 1.31 0.00 0.00 25 Y 7.47 5.04 0.00 2.78 2.33 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 26 G 9.20 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 0.00 0.00 0.00 27 Y 7.86 4.35 0.00 3.27 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.51 3.74 0.00 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 29 I 7.84 3.63 1.87 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.61 0.80 0.00 0.00 30 T 7.92 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 31 K 7.64 3.94 0.00 1.96 1.93 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 32 I 7.86 3.71 1.85 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 1.40 0.76 0.93 0.00 0.00 33 L 8.02 4.25 0.00 2.01 1.69 0.87 0.43 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 34 N 8.14 5.09 0.00 3.04 2.88 0.00 0.00 6.58 8.13 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 35 D 8.19 4.76 0.00 2.63 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 36 Q 7.85 4.40 0.00 2.43 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 37 G 6.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.64 4.07 0.00 3.45 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 39 T 7.66 4.25 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 1.23 0.00 0.00 40 E 8.19 4.23 0.00 1.96 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 2.30 2.34 0.00 41 I 7.15 4.11 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.88 0.00 0.00 42 V 7.99 4.06 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 0.88 0.00 0.00 0.99 0.00 0.00 43 E 8.29 4.32 0.00 2.17 2.28 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 2.40 2.24 0.00 44 G 8.20 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 45 T 7.86 3.88 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 1.16 0.00 0.00 46 V 7.57 3.54 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 1.02 0.00 0.00 0.87 0.00 0.00 47 Y 8.55 4.17 0.00 2.95 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.18 3.69 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 1.14 0.00 0.00 49 I 7.37 3.67 1.90 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 1.43 0.60 0.79 0.00 0.00 50 L 7.99 3.77 0.00 1.53 1.38 0.66 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.57 3.85 0.00 1.61 1.53 0.31 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 52 R 7.63 3.81 0.00 1.78 2.05 0.00 3.08 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 53 L 8.19 4.21 0.00 1.88 1.84 0.84 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.43 4.13 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.71 0.00 55 K 7.76 3.76 0.00 1.70 1.85 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.37 7.81 56 N 7.46 4.04 0.00 1.44 1.42 0.00 0.00 7.11 7.82 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 57 Q 7.67 3.62 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.16 0.00 58 W 7.88 4.92 0.00 3.39 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 59 V 7.82 5.22 2.41 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 0.84 0.00 0.00 1.14 0.00 0.00 60 I 8.70 4.72 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.94 0.00 0.00 61 A 8.41 5.08 0.65 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 0.00 0.00 62 E 9.07 4.64 0.00 1.95 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 2.20 2.27 0.00 63 K 8.65 4.78 0.00 1.69 1.75 0.00 1.80 0.00 0.00 1.81 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.41 7.81 64 K 9.39 4.73 0.00 1.32 1.48 0.00 1.31 0.00 0.00 1.54 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.58 7.81 65 P 0.00 4.87 0.00 1.92 1.97 0.00 3.54 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 1.99 2.07 0.00 66 S 8.27 4.91 0.00 3.81 3.77 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 67 E 8.45 4.35 0.00 2.08 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 0.00 2.35 2.39 0.00 *70 P 0.00 4.29 0.00 2.15 1.58 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 *72 R 8.20 4.20 0.00 1.34 1.33 0.00 3.07 0.00 0.00 2.98 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.00 73 K 8.39 4.70 0.00 1.72 1.72 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.87 1.25 7.81 74 F 9.44 5.04 0.00 3.10 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 75 Y 9.04 5.27 0.00 2.92 2.90 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 76 R 8.83 5.08 0.00 1.80 1.85 0.00 3.16 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 77 L 8.60 4.81 0.00 1.59 1.66 1.06 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.60 4.51 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 79 S 8.72 4.20 0.00 4.11 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 0.00 80 S 8.24 4.35 0.00 4.32 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 0.00 81 G 8.37 3.65 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 0.00 0.00 0.00 82 E 8.42 3.98 0.00 2.31 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 2.35 2.42 0.00 83 A 8.13 4.05 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.93 3.60 0.00 1.70 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 1.82 1.47 0.00 85 L 7.76 3.71 0.00 1.69 1.88 0.79 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.05 4.22 1.48 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 87 D 8.48 4.30 0.00 2.85 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 88 F 8.44 4.11 0.00 2.82 2.90 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 89 W 7.90 4.23 0.00 3.42 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.02 4.01 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 91 R 7.97 3.94 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 92 W 8.35 4.05 0.00 2.72 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 93 T 8.24 3.69 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 1.18 0.00 0.00 94 L 7.60 3.83 0.00 1.86 1.78 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.07 3.81 0.00 1.77 1.48 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.47 3.76 0.00 3.63 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 97 K 7.60 3.77 0.00 1.91 1.93 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.43 7.81 98 Q 7.67 3.95 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 99 V 7.68 3.69 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 0.80 0.00 0.00 0.88 0.00 0.00 100 N 8.36 4.48 0.00 2.77 2.81 0.00 0.00 6.69 6.92 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 0.00 101 K 7.79 4.24 0.00 1.97 1.88 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 *103 K 7.96 4.15 0.00 1.77 2.01 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 104 K 7.86 3.89 0.00 1.77 1.81 0.00 1.97 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.37 7.81 105 N 8.13 4.59 0.00 3.04 2.76 0.00 0.00 7.13 7.12 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 * Residues marked with a * may have inaccurate shift predictions.