NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3169 8.2649 123.5819 50.8447 19.9655 176.3491 2 P 4.3304 0.0000 0.0000 62.4189 31.6093 174.9684 3 Q 4.4888 8.8100 121.5136 55.7512 30.9402 174.4803 4 N 4.6173 7.3086 113.5936 52.1134 40.9308 174.5793 5 I 3.8318 8.0536 119.0983 63.9185 37.9701 177.7664 6 T 3.8339 7.8673 116.5538 66.5937 68.1846 176.2359 7 E 3.9310 8.4022 119.3318 59.3111 29.8938 178.9487 8 L 4.1063 7.8940 120.3147 58.3921 41.8773 178.2534 9 C 4.3844 8.4686 118.8161 59.5013 43.3264 175.5044 10 S 3.9424 7.9026 114.9011 60.7954 62.6540 175.6867 11 E 3.9687 7.8192 120.5715 56.9654 29.5137 175.9474 12 Y 4.9218 6.6822 115.5730 55.9715 40.9231 174.8683 13 H 4.5531 8.9856 121.6007 57.1136 30.9643 174.5342 14 N 4.2771 8.7247 120.9854 55.0387 35.8620 173.5965 15 T 5.3116 7.9166 105.8690 60.2816 72.1181 173.0441 16 Q 4.5898 8.8992 119.2390 54.9595 32.5350 173.3491 17 I 4.6614 8.1319 121.2289 60.5403 38.7929 174.6256 18 Y 4.5499 9.1224 124.7630 56.1487 40.3095 174.2605 19 E 4.5823 8.8496 125.9376 55.5938 30.1972 173.9953 20 L 4.3254 8.8624 125.5461 55.4637 43.6202 178.0219 21 N 4.2230 7.9358 114.1705 53.9045 36.9038 173.9150 22 K 4.7961 7.3191 114.7199 54.6076 36.8104 176.3442 23 E 4.7833 8.5803 118.7029 55.6531 30.6754 176.5330 24 I 3.3791 8.1561 121.1950 61.3201 37.8030 176.0368 25 K 4.5035 8.5402 126.8486 58.2255 33.2018 177.0081 26 T 4.6150 7.5987 108.7755 59.8632 72.3513 172.2495 27 Y 4.8124 8.0081 125.0476 56.0021 41.2309 174.5247 28 T 4.4625 8.1800 122.8991 61.5553 72.4290 172.6316 29 E 4.9445 8.4714 125.2730 54.6064 32.7733 174.4099 30 S 4.9073 8.6178 121.7119 56.2202 66.2199 174.0760 31 L 4.1461 8.3912 120.7532 54.2635 42.0807 177.2940 32 A 4.0746 8.2996 123.8253 52.7146 18.7854 176.6559 33 G 3.2515 8.7868 113.4105 45.7490 0.0000 173.4111 *37 M 4.2244 7.7316 121.0466 55.3161 33.8806 174.0317 38 V 4.6958 8.2482 124.6945 61.1100 34.7454 174.0041 39 I 5.1466 8.6098 128.1750 59.3912 40.9397 174.4059 40 I 5.0995 9.0060 119.9233 59.1676 40.8474 174.5151 41 S 5.1304 8.8646 117.5384 56.9642 67.0075 172.6529 42 F 5.1976 8.9320 118.9741 55.3124 41.8267 176.7744 43 A 4.0825 9.0336 122.8561 54.8045 18.2238 178.1765 44 N 4.6308 8.3063 111.4690 52.8699 37.8104 176.1129 45 G 3.8896 8.3704 108.2764 45.0277 0.0000 173.9336 46 A 3.9183 8.1937 122.9728 52.4539 19.2913 176.7416 47 T 4.8644 7.5827 118.3869 61.7216 72.1174 173.4927 48 F 5.3251 9.2792 123.4483 55.8978 44.0298 173.5437 49 Q 5.1139 9.2741 118.8881 54.5047 32.2438 174.6384 50 V 4.2676 8.3662 121.2536 61.6649 31.5772 175.3622 51 E 3.8905 9.0965 132.4941 59.4131 29.5375 178.0455 *62 K 4.2139 7.3750 121.4309 53.8019 34.5330 180.2080 63 R 3.9728 7.9359 118.5119 61.4979 29.8921 178.5885 64 P 4.4575 0.0000 0.0000 65.6931 31.3148 178.7666 65 L 4.0736 8.1948 117.5690 57.8079 41.5617 179.3720 66 E 4.0017 8.1445 118.1549 59.1868 29.3543 179.2103 67 R 3.8585 8.3553 119.1411 59.6602 30.1492 178.0860 68 M 4.0271 8.1152 117.9343 58.8154 32.1581 178.2464 69 K 4.0475 8.2851 118.4692 59.6736 32.1906 179.0975 70 D 4.3730 8.1807 119.1465 57.5318 40.6908 178.8996 71 T 3.8886 8.2901 116.6150 66.6584 68.4105 176.6854 72 L 4.0846 8.2407 121.0274 57.7637 41.6526 179.4948 73 R 3.4332 8.3166 118.4604 59.3320 30.0292 178.3580 74 A 3.9585 8.1777 120.2782 55.0961 18.3576 179.2791 75 A 3.9628 8.4692 119.7153 55.4838 18.2050 179.1232 76 Y 3.8478 8.0797 116.8858 61.0742 39.0072 178.1199 77 F 3.9471 8.4355 117.4699 60.1885 39.1005 176.9913 78 T 4.3541 7.9044 107.3255 61.1845 69.2164 175.6564 79 G 3.7851 7.7766 109.4525 46.0368 0.0000 173.6040 80 I 3.9052 7.5897 119.6687 60.9297 38.2836 176.0854 81 K 4.3825 8.6723 125.9003 56.3593 33.6296 175.9921 82 V 4.1956 8.9826 125.7475 62.4025 32.4023 176.1977 83 S 4.3336 8.9185 123.6395 60.0760 63.0998 173.7279 84 K 5.1214 7.7936 117.4293 54.6032 36.9436 174.6986 85 L 5.0368 8.7211 122.2625 53.0690 45.3122 174.6010 86 C 5.1030 8.9161 123.8565 55.3266 45.4586 172.8006 87 V 4.9574 8.6635 119.1657 59.1625 35.8159 174.8217 88 W 4.9604 9.2215 124.2902 56.1690 29.9884 176.3107 89 N 5.2293 8.9475 122.8843 52.6400 37.5240 175.3206 90 N 4.8899 8.3954 114.3069 52.9036 37.6311 174.4225 91 K 4.7645 7.7896 117.6275 55.1301 35.8711 175.0302 92 T 4.7806 8.1738 116.8634 60.9220 71.4366 172.4593 93 P 4.4478 0.0000 0.0000 62.4742 32.4358 175.8095 94 N 4.8877 8.6551 118.0120 53.4780 39.8767 174.0113 95 S 5.2422 8.7990 117.4086 57.2483 64.5532 172.8926 96 I 4.3541 8.5124 128.0411 61.0033 36.9939 175.4815 97 A 4.1929 8.6761 129.3130 53.3114 20.0666 176.8827 98 A 4.6014 7.3039 114.3592 50.8850 22.7673 175.2628 99 I 4.9032 8.1893 118.9686 59.0993 41.7025 173.9941 100 E 4.6946 9.2219 129.0307 54.3488 32.3328 174.2009 101 L 5.0164 8.1688 126.4729 53.1039 43.9934 176.5132 102 S 4.2275 7.9899 115.8852 59.1002 63.1498 175.2323 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 1 A 8.26 4.32 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 2 P 0.00 4.33 0.00 2.14 2.09 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.31 0.00 3 Q 8.81 4.49 0.00 1.93 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 4 N 7.31 4.62 0.00 2.96 2.87 0.00 0.00 5.87 7.79 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 5 I 8.05 3.83 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.92 0.00 0.00 6 T 7.87 3.83 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 1.18 0.00 0.00 7 E 8.40 3.93 0.00 2.05 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 2.33 2.50 0.00 8 L 7.89 4.11 0.00 1.75 1.90 0.95 0.95 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 9 C 8.47 4.38 0.00 3.21 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 10 S 7.90 3.94 0.00 4.06 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 11 E 7.82 3.97 0.00 1.34 1.54 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 2.20 2.55 0.00 12 Y 6.68 4.92 0.00 2.99 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 13 H 8.99 4.55 0.00 3.20 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.72 4.28 0.00 3.18 3.02 0.00 0.00 6.60 7.05 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 15 T 7.92 5.31 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 0.95 0.00 0.00 16 Q 8.90 4.59 0.00 1.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.28 1.98 0.00 17 I 8.13 4.66 1.79 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.86 0.00 0.00 18 Y 9.12 4.55 0.00 2.72 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 19 E 8.85 4.58 0.00 1.95 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 2.22 2.30 0.00 20 L 8.86 4.33 0.00 1.41 1.19 0.17 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.94 4.22 0.00 2.88 2.84 0.00 0.00 6.89 7.79 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 22 K 7.32 4.80 0.00 1.82 1.83 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.65 7.81 23 E 8.58 4.78 0.00 2.09 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 2.32 2.37 0.00 24 I 8.16 3.38 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.61 0.93 0.00 0.00 25 K 8.54 4.50 0.00 1.80 1.98 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.41 7.81 26 T 7.60 4.62 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 1.18 0.00 0.00 27 Y 8.01 4.81 0.00 2.33 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 0.00 0.00 0.00 28 T 8.18 4.46 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 1.07 0.00 0.00 29 E 8.47 4.94 0.00 1.70 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 2.19 2.35 0.00 30 S 8.62 4.91 0.00 3.71 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 31 L 8.39 4.15 0.00 1.63 1.60 0.92 0.79 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 32 A 8.30 4.07 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 33 G 8.79 3.25 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 0.00 *37 M 7.73 4.22 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 38 V 8.25 4.70 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 0.94 0.00 0.00 39 I 8.61 5.15 1.74 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 1.24 0.60 0.87 0.00 0.00 40 I 9.01 5.10 1.75 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 1.42 1.19 1.00 0.00 0.00 41 S 8.86 5.13 0.00 3.87 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 42 F 8.93 5.20 0.00 3.28 3.06 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 43 A 9.03 4.08 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 44 N 8.31 4.63 0.00 2.88 2.99 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.37 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 46 A 8.19 3.92 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 47 T 7.58 4.86 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 1.16 0.00 0.00 48 F 9.28 5.33 0.00 2.95 2.87 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 49 Q 9.27 5.11 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 50 V 8.37 4.27 2.13 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 0.80 0.00 0.00 1.00 0.00 0.00 51 E 9.10 3.89 0.00 2.03 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 2.25 2.30 0.00 *62 K 7.37 4.21 0.00 1.75 1.67 0.00 1.89 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 63 R 7.94 3.97 0.00 1.81 2.00 0.00 3.24 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.34 0.00 64 P 0.00 4.46 0.00 2.17 2.18 0.00 3.58 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 65 L 8.19 4.07 0.00 1.89 1.74 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.14 4.00 0.00 2.16 2.02 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 2.41 2.32 0.00 67 R 8.36 3.86 0.00 1.87 2.11 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.12 4.03 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 69 K 8.29 4.05 0.00 2.06 1.94 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.65 7.81 70 D 8.18 4.37 0.00 2.92 2.71 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 71 T 8.29 3.89 4.43 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 1.24 0.00 0.00 72 L 8.24 4.08 0.00 2.00 1.90 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.32 3.43 0.00 1.75 1.95 0.00 2.99 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.37 0.00 74 A 8.18 3.96 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 0.00 0.00 0.00 0.00 0.00 75 A 8.47 3.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.08 3.85 0.00 2.99 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 77 F 8.44 3.95 0.00 2.95 3.08 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 78 T 7.90 4.35 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 1.29 0.00 0.00 79 G 7.78 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.59 3.91 1.89 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 1.35 0.86 0.94 0.00 0.00 81 K 8.67 4.38 0.00 1.70 1.76 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.40 7.81 82 V 8.98 4.20 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 0.91 0.00 0.00 1.15 0.00 0.00 83 S 8.92 4.33 0.00 3.96 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 84 K 7.79 5.12 0.00 1.64 1.56 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.42 7.81 85 L 8.72 5.04 0.00 1.19 1.18 0.06 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.92 5.10 0.00 2.88 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 87 V 8.66 4.96 2.36 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 0.55 0.00 0.00 1.40 0.00 0.00 88 W 9.22 4.96 0.00 3.47 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 89 N 8.95 5.23 0.00 2.85 3.06 0.00 0.00 6.99 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 90 N 8.40 4.89 0.00 2.88 3.01 0.00 0.00 5.98 7.13 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 91 K 7.79 4.76 0.00 1.85 1.73 0.00 1.62 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.36 7.81 92 T 8.17 4.78 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 1.20 0.00 0.00 93 P 0.00 4.45 0.00 1.93 2.03 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 94 N 8.66 4.89 0.00 2.98 3.05 0.00 0.00 7.18 7.57 0.00 0.00 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 S 8.80 5.24 0.00 4.02 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 0.00 96 I 8.51 4.35 1.93 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 1.06 0.89 0.86 0.00 0.00 97 A 8.68 4.19 -0.04 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 98 A 7.30 4.60 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 99 I 8.19 4.90 1.86 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 1.24 0.98 0.92 0.00 0.00 100 E 9.22 4.69 0.00 2.00 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 2.17 2.23 0.00 101 L 8.17 5.02 0.00 1.55 1.57 0.94 0.89 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 0.00 102 S 7.99 4.23 0.00 3.81 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 * Residues marked with a * may have inaccurate shift predictions.