NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4430 8.3044 118.2073 55.3318 32.8211 173.5838 4 H 4.5845 8.4272 118.5242 54.2707 31.4493 168.4206 5 V 4.8616 8.5819 126.8356 61.0648 34.9022 173.1016 6 A 4.9924 9.5760 131.1480 50.3561 21.4280 175.3369 7 Q 4.8985 8.5305 118.2854 54.1554 31.9153 172.6419 8 P 4.1739 0.0000 0.0000 63.3636 32.0537 177.0926 9 A 4.1199 8.6525 124.2211 54.5930 19.6121 177.4167 10 V 4.8149 7.5005 113.7234 61.5821 35.0501 174.7110 11 V 4.4621 9.2881 129.6364 61.9610 34.8653 174.3422 12 L 4.9089 8.6701 129.9232 53.8072 41.6684 175.3567 13 A 4.4836 10.5816 124.7233 50.8086 19.8076 175.9332 14 S 4.7095 7.8994 106.8576 56.8094 66.0942 175.0313 15 S 4.2134 8.7501 119.5039 61.8620 62.6723 176.4368 16 R 3.9769 7.7055 119.4192 57.8577 29.5344 179.4697 17 G 4.0885 7.4048 114.5676 45.6338 0.0000 171.2103 18 I 4.6721 7.3696 121.7970 59.4382 39.4222 174.6592 19 A 4.9869 8.4069 126.4930 50.5410 22.8397 174.7832 20 S 5.2019 8.6509 114.3839 56.3749 68.2049 173.4403 21 F 5.3323 7.5548 122.1201 56.7913 40.6318 174.1672 22 V 4.2257 8.4949 123.0384 61.8658 32.7239 175.9263 23 C 5.2268 9.2876 121.8767 55.1663 45.2043 172.4460 24 E 5.4098 9.6788 125.8457 54.6784 32.5278 174.6053 25 Y 5.1372 7.9803 120.1859 55.0282 41.4634 174.7360 26 A 4.2109 8.6272 122.4649 51.8003 19.9028 178.3399 27 S 4.5866 8.3486 117.5669 55.8391 62.5976 173.3810 28 P 4.3220 0.0000 0.0000 61.5186 31.3282 177.9267 29 G 3.7290 7.5470 108.1319 46.5461 0.0000 174.6308 30 K 4.1351 8.1612 121.4638 53.7146 29.7953 172.8713 31 A 3.7586 7.8362 126.6719 51.1988 18.8949 178.4641 32 T 3.8718 8.6261 114.7338 62.1955 67.5716 171.4462 33 E 5.1716 7.9940 120.6719 54.3644 32.6412 174.2909 34 V 4.7178 8.7706 125.7931 61.1595 35.9714 173.9155 35 R 5.2479 8.9154 126.8636 53.5850 32.7256 174.1499 36 V 4.5866 8.1899 127.2135 62.3848 33.4006 174.6064 37 T 5.0302 9.4112 124.3763 61.7982 72.1075 172.9313 38 V 4.7042 8.7441 126.9046 61.6969 32.9626 175.0507 39 L 4.9980 9.1404 128.5942 53.4085 45.0019 176.0468 40 R 4.2066 8.9188 120.0897 54.7391 32.2687 173.3635 41 Q 4.8051 8.4633 128.4604 54.9946 31.1844 174.6166 42 A 4.3124 8.8487 124.0605 52.8870 22.7296 176.3013 43 D 4.2681 9.9095 120.9830 55.0729 38.5741 173.9345 44 S 4.4116 8.4328 117.4920 58.7643 62.2990 169.8340 45 Q 4.1971 7.7992 121.1123 55.6822 28.6568 179.9396 46 V 4.6378 8.3324 117.8267 59.6072 33.5457 175.6934 47 T 4.7096 8.3555 119.3681 61.7793 73.1424 172.4509 48 E 4.5306 8.7592 125.5623 55.7367 30.0426 175.9874 49 V 4.2325 9.2738 127.9434 63.7609 33.1814 172.7024 50 C 5.2216 7.7350 113.3190 55.8622 44.0605 172.0916 51 A 5.2611 8.6953 117.8732 52.6618 21.5117 175.0438 52 A 4.1375 7.2623 118.8445 51.6164 22.6773 175.3424 53 T 4.9186 8.3883 117.7688 62.7175 71.3158 174.2123 *54 Y 4.5588 8.7751 127.1884 55.6649 39.4875 172.6255 55 M 5.3356 8.2199 120.0866 54.3698 33.7449 178.1914 56 M 3.0726 8.6125 119.5701 56.7151 31.8369 178.4279 57 G 4.0188 8.8091 104.3997 43.6860 0.0000 174.2488 58 N 4.4465 8.3175 119.0645 55.3478 40.4943 176.9259 59 E 3.5983 8.9905 108.2560 57.1624 25.9831 176.4028 60 L 3.8114 7.1202 128.2539 52.2938 44.8296 176.7749 61 T 4.5723 7.9363 119.1026 62.9931 72.5601 174.1342 62 F 4.3546 8.9293 127.8679 56.7825 41.0180 174.8774 63 L 4.5676 8.5712 123.7080 55.8262 42.1855 177.8497 64 D 4.4253 8.9127 121.2128 57.2766 39.9439 179.4847 65 D 4.5512 8.2209 117.5818 55.7351 40.0688 178.4981 66 S 4.2862 7.2071 113.5994 58.3268 63.4481 174.2132 67 I 4.0566 8.2755 118.0073 63.1826 38.8937 176.5616 68 C 4.7666 7.9233 119.2717 56.7924 35.8094 172.7331 69 T 4.4081 7.3300 114.9766 62.9342 73.0896 173.1046 70 G 4.9709 8.3002 109.1223 46.3345 0.0000 172.6915 71 T 4.8216 8.0268 115.2733 62.2134 72.8145 173.8311 72 S 4.9450 8.6927 120.8078 57.6001 64.3638 173.2328 73 S 4.5100 8.9697 113.6445 58.9407 66.9017 176.5518 74 G 4.1555 8.5501 117.9321 47.3604 0.0000 173.6775 75 N 4.3462 8.3596 117.2287 53.2422 38.9221 174.4252 76 Q 5.0733 8.4652 117.6441 54.1702 33.4881 176.8581 77 V 4.7458 9.0781 113.2014 59.7854 35.9652 175.4333 78 N 4.7105 9.1984 126.1842 52.3017 37.0641 174.0792 79 L 4.3715 7.7428 122.2070 55.2755 43.4868 177.2731 80 T 5.1450 7.6787 113.0597 63.8180 71.6173 173.3928 81 I 4.0313 7.7445 127.8883 61.5197 39.1598 173.6479 82 Q 4.2788 8.2493 121.8883 56.1115 32.6421 173.0317 83 G 3.8861 8.6980 107.6332 46.5002 0.0000 173.6202 84 L 4.4918 8.0916 122.6356 54.1242 42.2006 178.2199 85 R 4.4922 9.7196 123.9176 54.5730 31.6895 173.4082 86 A 4.8656 8.8630 115.8512 56.4041 18.5871 180.0005 87 M 4.1494 7.9896 112.4717 58.3522 31.4486 176.9396 88 D 4.7244 7.6432 116.0328 54.7578 41.1107 176.0321 89 T 4.2159 7.8908 116.0459 60.8838 68.2409 174.6315 90 G 4.1481 7.6986 114.4046 45.9030 0.0000 169.9845 91 L 4.5981 7.1115 121.6423 54.4234 43.5118 176.1629 92 Y 5.0127 8.6270 124.6935 55.4408 39.5683 174.6362 93 I 4.1466 8.1057 126.0889 61.0890 38.8977 175.5464 94 C 5.2322 8.9790 127.6485 55.1754 43.5041 171.7684 95 K 5.2168 9.4212 128.7647 54.7310 34.3341 174.9736 96 V 4.7201 9.1982 126.9991 61.0798 34.7865 173.6968 97 E 4.8611 8.8287 126.9344 54.6367 32.5327 175.3294 98 L 4.4685 8.7758 125.6890 54.0780 41.3933 177.3536 99 M 4.3332 8.6798 124.3836 58.1895 32.8102 176.4158 100 Y 4.8612 7.5927 116.3995 55.9194 42.1729 172.1304 101 P 3.2480 0.0000 0.0000 61.0957 32.0895 174.1742 102 P 4.5204 0.0000 0.0000 61.5958 32.0293 173.9622 103 P 4.3576 0.0000 0.0000 63.0098 31.7189 175.1343 104 Y 4.9452 8.0442 120.5371 56.9166 40.4099 174.2083 105 Y 4.3879 7.7679 121.6096 55.9194 41.9903 173.9216 106 L 4.6750 8.4058 125.5334 53.1943 44.4415 175.6466 107 G 4.2634 8.9992 112.2163 44.6343 0.0000 171.3298 108 I 4.8885 8.3865 124.6957 59.4126 40.4801 175.7803 109 G 4.0572 8.7410 114.9187 45.2131 0.0000 173.2904 110 N 4.4725 8.6812 118.0529 54.9779 39.2746 174.6490 111 G 4.0543 7.8745 103.3994 43.6601 0.0000 172.9645 112 A 4.8417 8.2678 121.1369 48.4684 22.0124 175.3951 113 Q 4.2745 8.8842 125.2982 56.7725 30.4192 174.9374 114 I 4.6733 8.6961 128.8005 60.0941 38.9613 174.2697 115 Y 5.4076 9.1737 126.0471 55.5901 40.1619 175.2808 116 V 4.7106 8.4367 123.0923 59.9337 34.9014 174.4746 117 I 4.7042 8.5139 125.3107 59.2166 39.5902 174.4581 118 D 4.6925 8.7013 125.2863 51.4826 40.0395 174.1580 119 P 4.1590 0.0000 0.0000 62.7110 32.3662 176.6319 120 E 4.3038 8.5059 115.9257 56.1473 30.7121 175.7072 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 M 8.30 4.44 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.67 0.00 4 H 8.43 4.58 0.00 3.38 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.58 4.86 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 1.10 0.00 0.00 0.97 0.00 0.00 6 A 9.58 4.99 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 7 Q 8.53 4.90 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 8 P 0.00 4.17 0.00 2.21 2.07 0.00 3.85 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 2.23 2.17 0.00 9 A 8.65 4.12 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 10 V 7.50 4.81 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 0.98 0.00 0.00 1.00 0.00 0.00 11 V 9.29 4.46 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 0.92 0.00 0.00 0.92 0.00 0.00 12 L 8.67 4.91 0.00 1.47 1.43 0.92 0.81 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 13 A 10.58 4.48 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 14 S 7.90 4.71 0.00 3.87 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 15 S 8.75 4.21 0.00 4.02 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 16 R 7.71 3.98 0.00 1.87 1.83 0.00 3.33 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 17 G 7.40 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 18 I 7.37 4.67 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.88 0.88 0.00 0.00 19 A 8.41 4.99 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 0.00 0.00 0.00 0.00 0.00 20 S 8.65 5.20 0.00 3.72 3.70 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 21 F 7.55 5.33 0.00 3.10 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 22 V 8.49 4.23 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 23 C 9.29 5.23 0.00 3.12 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 24 E 9.68 5.41 0.00 1.85 1.71 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 2.22 2.20 0.00 25 Y 7.98 5.14 0.00 2.91 2.89 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 A 8.63 4.21 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 27 S 8.35 4.59 0.00 3.84 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 28 P 0.00 4.32 0.00 1.11 1.74 0.00 3.36 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.80 0.00 29 G 7.55 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 30 K 8.16 4.14 0.00 1.79 1.67 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.00 7.81 31 A 7.84 3.76 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 32 T 8.63 3.87 4.49 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 1.33 0.00 0.00 33 E 7.99 5.17 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 2.23 2.25 0.00 34 V 8.77 4.72 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 0.69 0.00 0.00 0.86 0.00 0.00 35 R 8.92 5.25 0.00 1.85 1.74 0.00 3.16 0.00 0.00 3.19 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.36 0.00 36 V 8.19 4.59 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 1.02 0.00 0.00 0.92 0.00 0.00 37 T 9.41 5.03 4.28 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 1.32 0.00 0.00 38 V 8.74 4.70 2.26 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 1.23 0.00 0.00 1.11 0.00 0.00 39 L 9.14 5.00 0.00 1.69 1.52 0.94 0.59 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 40 R 8.92 4.21 0.00 1.08 1.62 0.00 2.75 0.00 0.00 2.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 41 Q 8.46 4.81 0.00 2.12 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 42 A 8.85 4.31 1.18 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 0.00 0.00 43 D 9.91 4.27 0.00 2.83 2.76 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 44 S 8.43 4.41 0.00 3.95 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 0.00 45 Q 7.80 4.20 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 46 V 8.33 4.64 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 0.83 0.00 0.00 0.92 0.00 0.00 47 T 8.36 4.71 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 1.19 0.00 0.00 48 E 8.76 4.53 0.00 1.99 1.86 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 2.37 2.33 0.00 49 V 9.27 4.23 2.34 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 0.98 0.00 0.00 0.94 0.00 0.00 50 C 7.74 5.22 0.00 3.49 3.36 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 51 A 8.70 5.26 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 52 A 7.26 4.14 0.23 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 53 T 8.39 4.92 4.18 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 1.25 0.00 0.00 *54 Y 8.78 4.56 0.00 1.99 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 55 M 8.22 5.34 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 56 M 8.61 3.07 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 57 G 8.81 4.02 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 0.00 0.00 0.00 58 N 8.32 4.45 0.00 2.69 2.78 0.00 0.00 7.33 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 59 E 8.99 3.60 0.00 2.06 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 2.17 1.85 0.00 60 L 7.12 3.81 0.00 1.65 1.66 0.86 1.14 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 61 T 7.94 4.57 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 1.26 0.00 0.00 62 F 8.93 4.35 0.00 2.96 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 63 L 8.57 4.57 0.00 1.86 1.81 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.91 4.43 0.00 2.72 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 65 D 8.22 4.55 0.00 2.69 2.61 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 66 S 7.21 4.29 0.00 4.02 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 67 I 8.28 4.06 2.03 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 1.36 0.65 0.93 0.00 0.00 68 C 7.92 4.77 0.00 1.70 2.32 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 69 T 7.33 4.41 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 1.16 0.00 0.00 70 G 8.30 4.97 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 71 T 8.03 4.82 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 1.22 0.00 0.00 72 S 8.69 4.94 0.00 3.93 3.78 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 73 S 8.97 4.51 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 74 G 8.55 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 0.00 0.00 0.00 0.00 75 N 8.36 4.35 0.00 2.29 2.29 0.00 0.00 6.70 8.02 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 76 Q 8.47 5.07 0.00 1.65 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.34 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 77 V 9.08 4.75 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 0.80 0.00 0.00 1.08 0.00 0.00 78 N 9.20 4.71 0.00 2.94 2.67 0.00 0.00 6.91 6.53 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 79 L 7.74 4.37 0.00 0.76 1.11 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.68 5.14 4.10 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 1.17 0.00 0.00 81 I 7.74 4.03 1.81 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 0.91 0.00 0.00 82 Q 8.25 4.28 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 83 G 8.70 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 0.00 0.00 0.00 84 L 8.09 4.49 0.00 1.71 1.60 0.90 0.99 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 85 R 9.72 4.49 0.00 1.65 1.84 0.00 3.26 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 86 A 8.86 4.87 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.99 4.15 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 88 D 7.64 4.72 0.00 2.91 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 89 T 7.89 4.22 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 1.33 0.00 0.00 90 G 7.70 4.15 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 91 L 7.11 4.60 0.00 1.57 1.48 0.88 0.99 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 92 Y 8.63 5.01 0.00 2.95 2.96 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 93 I 8.11 4.15 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.52 1.00 0.00 0.00 94 C 8.98 5.23 0.00 3.35 3.15 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 95 K 9.42 5.22 0.00 1.85 1.81 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.59 7.81 96 V 9.20 4.72 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 0.38 0.00 0.00 0.92 0.00 0.00 97 E 8.83 4.86 0.00 2.14 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 0.00 2.72 2.29 0.00 98 L 8.78 4.47 0.00 1.73 1.72 0.74 0.67 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 99 M 8.68 4.33 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.85 0.00 100 Y 7.59 4.86 0.00 3.11 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 0.00 101 P 0.00 3.25 0.00 1.84 1.10 0.00 3.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 102 P 0.00 4.52 0.00 2.22 2.17 0.00 3.64 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 1.98 2.04 0.00 103 P 0.00 4.36 0.00 1.81 1.87 0.00 3.75 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 2.04 2.06 0.00 104 Y 8.04 4.95 0.00 2.87 2.76 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 0.00 105 Y 7.77 4.39 0.00 2.80 2.61 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 0.00 106 L 8.41 4.68 0.00 1.56 1.49 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 107 G 9.00 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 0.00 0.00 0.00 0.00 108 I 8.39 4.89 1.89 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 1.30 0.73 0.93 0.00 0.00 109 G 8.74 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 N 8.68 4.47 0.00 2.71 2.85 0.00 0.00 7.11 7.98 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 0.00 111 G 7.87 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 0.00 112 A 8.27 4.84 0.77 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 0.00 0.00 113 Q 8.88 4.27 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.74 0.00 0.00 0.00 0.00 0.00 1.84 1.49 0.00 114 I 8.70 4.67 1.37 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.64 0.67 0.00 0.00 115 Y 9.17 5.41 0.00 2.88 2.84 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 0.00 116 V 8.44 4.71 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 0.86 0.00 0.00 1.01 0.00 0.00 117 I 8.51 4.70 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.72 0.92 0.00 0.00 118 D 8.70 4.69 0.00 2.78 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 0.00 119 P 0.00 4.16 0.00 2.06 2.05 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 120 E 8.51 4.30 0.00 1.93 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 0.00 2.11 1.83 0.00 * Residues marked with a * may have inaccurate shift predictions.