NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *24 K 4.3214 8.3144 122.1404 54.1235 33.7802 175.6174 25 D 4.2367 7.6656 117.0381 53.1962 44.2561 172.7567 26 Y 4.8039 8.6637 123.9718 55.8239 39.2772 174.5753 27 S 5.1296 9.0950 118.6720 56.4654 67.2095 172.6986 28 L 5.0599 8.6966 121.8200 53.6292 45.2082 175.4471 29 T 4.6699 8.4152 122.4894 62.4051 70.9919 172.8072 30 M 4.7874 8.5437 123.3247 54.3727 35.0352 174.3585 31 Q 4.1916 9.0292 123.1262 56.8037 29.3183 177.0107 32 S 4.4932 8.6624 114.2396 60.7788 64.4833 173.5908 33 S 5.3376 7.9558 113.3608 56.4885 65.6995 173.4765 34 V 4.6220 8.9456 124.0733 60.3474 34.9631 174.2808 35 T 5.1328 8.4893 118.7082 62.1164 71.6650 173.5297 36 V 4.6004 8.6252 118.4717 59.4540 36.6100 174.9777 37 Q 4.6448 8.4598 120.6818 54.9309 30.3712 175.3504 38 E 4.1558 8.6344 123.2086 58.4653 29.8990 177.5314 39 G 3.9868 9.1204 115.2533 45.3980 0.0000 173.4360 40 M 4.5132 7.9436 119.5982 55.2239 33.4381 174.9501 41 C 5.4196 8.2685 114.6036 56.8996 32.8870 173.4655 42 V 4.4212 8.5742 118.0572 61.0159 34.6927 172.1304 43 H 5.2593 8.6726 119.6732 54.0814 31.2731 173.5899 44 V 4.2059 8.5768 124.0107 60.7899 33.1221 175.0614 45 R 4.3483 8.5121 127.5893 56.9183 30.8591 176.9075 46 C 5.1546 8.6809 121.6770 55.8098 48.9620 172.7222 47 S 5.3014 8.7134 120.2345 57.2559 67.4567 172.3834 48 F 5.2440 8.1505 114.5557 56.3800 40.2581 173.2673 49 S 4.7931 9.0671 114.2636 57.0930 66.7668 172.1840 50 Y 4.1876 7.6489 115.0302 55.4214 39.8713 171.9290 51 P 4.0439 0.0000 0.0000 63.2605 31.7133 176.1226 *54 S 4.4869 8.7223 117.1345 59.7897 64.5788 176.5766 55 Q 4.1695 8.1595 116.7463 58.2606 28.2977 178.5946 56 T 4.4445 7.8657 115.3404 62.7953 67.8497 177.1127 57 D 4.5173 8.3818 120.3591 56.0734 39.9186 180.3405 58 S 4.2853 8.1114 114.8797 60.5172 62.7549 174.2891 59 D 4.6814 7.4527 118.5684 51.8412 40.2634 180.0092 60 P 4.5754 0.0000 0.0000 61.8628 32.1156 175.6761 61 V 4.2233 8.4486 120.8263 62.4511 32.3854 174.7897 62 H 4.9951 9.2969 125.8155 54.1586 30.9956 174.2284 63 G 4.1957 9.0067 109.1956 44.6291 0.0000 171.4445 64 Y 4.7238 7.4090 118.3849 55.8746 42.7300 173.9801 65 W 5.1255 9.1098 124.1124 55.1117 31.6233 175.2335 66 F 5.1466 8.9885 122.6258 55.3316 42.4271 174.3305 67 R 4.1469 8.7286 122.3729 55.8722 30.5209 175.9933 68 A 4.1939 8.7716 129.2776 52.2735 18.7612 175.2332 69 G 3.5061 9.2980 117.7995 46.1074 0.0000 175.4227 *75 K 4.3616 7.4775 123.1518 53.3604 34.2289 178.7033 76 A 4.5253 7.8565 119.9206 51.2979 19.0998 175.4764 77 P 3.9824 0.0000 0.0000 62.8304 32.0744 177.7777 78 V 3.8249 8.5890 115.0579 64.2057 32.1894 176.4399 79 A 4.7272 7.6689 119.8545 51.3745 22.4067 175.0889 80 T 4.8227 8.4096 112.7527 61.9404 70.1238 172.8167 81 N 4.6574 8.5542 122.8897 53.0067 38.6787 174.2142 82 N 4.5939 7.9460 120.4553 51.5395 38.7649 173.5686 83 P 4.4883 0.0000 0.0000 64.3681 31.6414 177.0163 84 A 4.3189 8.0787 121.0162 53.0205 18.9538 176.9539 85 W 4.7315 8.0574 116.0109 54.3321 31.2144 175.9747 86 A 4.2938 8.5722 125.7232 52.1971 18.6473 177.0446 87 V 4.6530 7.9173 113.3055 59.1530 34.3863 176.1757 88 Q 4.1099 8.7019 121.3360 56.4476 29.1504 178.4367 89 E 4.0546 8.8211 121.4586 59.4163 29.9221 179.2276 90 E 3.9411 8.2422 117.6882 58.7887 29.8318 177.5782 91 T 4.3104 7.3026 105.9317 60.6804 69.4296 174.1931 92 R 4.0376 7.2149 123.2514 58.4015 30.2760 176.1454 93 D 4.6426 8.9201 122.3399 54.9509 38.9782 174.1861 94 R 4.6214 8.1091 118.1612 56.3646 33.4549 175.6207 95 F 5.0614 8.2744 116.8236 56.3063 40.6553 175.4448 96 H 4.8857 9.0129 119.7677 53.9307 33.3419 172.8211 97 L 4.5187 8.7246 124.7179 54.7934 40.9651 175.7819 98 L 4.1529 8.5525 129.0903 57.5435 42.8123 177.6052 99 G 3.7861 8.3068 105.3195 46.2016 0.0000 173.2009 100 D 4.8377 8.5808 122.2186 51.9476 41.5871 175.5329 101 P 4.7851 0.0000 0.0000 65.4223 31.6997 178.6333 102 Q 4.0814 8.3529 119.1921 58.5485 28.9926 176.8193 103 T 4.4259 7.9042 106.4997 60.8964 69.0870 174.3667 104 K 2.8113 8.0533 119.3461 57.7510 29.8811 174.3643 105 N 5.3441 8.3664 116.8858 52.1286 40.5284 172.5379 106 C 4.8165 8.6316 119.2742 55.2160 43.0109 174.0640 107 T 4.1731 8.1310 116.8688 64.9827 69.2566 172.4718 108 L 4.7893 8.4901 128.0211 53.2634 44.4240 174.7106 109 S 5.1105 8.8535 121.0373 56.5202 65.0577 172.5756 110 I 4.6044 8.6293 127.4941 59.2174 40.0993 174.7041 111 R 4.7127 8.6159 123.0797 54.0190 32.3845 174.6156 112 D 4.3806 8.5937 116.8778 54.8407 39.7899 173.9597 113 A 4.2731 8.0053 121.9403 52.8160 19.5343 177.4453 114 R 4.9462 9.1674 120.7587 54.0787 33.5667 176.9031 115 M 4.0274 8.6663 120.0013 58.7988 32.3095 178.3872 116 S 4.3938 7.9896 111.2176 60.2128 63.3436 174.7137 117 D 4.5860 8.2572 120.8607 56.2800 40.9572 176.8191 118 A 4.3297 7.9164 122.6058 51.1633 19.0169 177.7512 119 G 3.9678 7.5656 109.2046 45.5314 0.0000 170.8621 120 R 5.3207 7.6138 117.4476 54.8090 32.9154 175.3775 121 Y 5.5561 9.2901 119.3855 56.4072 42.5497 174.3735 122 F 5.6802 9.5317 116.8995 55.3629 42.0863 173.2548 123 F 4.5247 8.7330 121.8705 56.6864 41.5666 174.2334 124 R 5.1412 7.8269 124.7906 54.5749 33.4326 173.8978 125 M 5.0380 8.7093 122.4338 53.6773 34.7565 174.4658 126 E 5.1793 8.9906 118.6932 54.9520 34.7026 174.9097 127 K 4.6462 9.5721 125.9882 54.6955 34.7257 177.5260 128 G 3.8542 8.8545 119.9962 47.0435 0.0000 174.2386 129 N 4.5807 9.0249 122.2446 53.8726 39.0637 174.7144 130 I 4.2132 7.9047 121.3380 60.7451 37.5987 174.9226 131 K 5.1803 8.3958 123.9669 54.6467 36.3163 175.8884 132 W 4.3968 8.7567 132.2412 56.4740 34.6127 172.6962 133 N 4.8822 7.8700 125.0942 52.0581 39.0527 176.0975 134 Y 4.6861 8.9634 125.2758 57.0187 36.5146 176.3816 135 K 4.1002 7.6814 117.0805 57.2005 32.9486 177.5342 136 Y 4.4872 8.0697 115.5346 58.0675 39.0592 175.2790 137 D 5.1388 7.8757 118.6927 53.0056 41.2253 175.1679 138 Q 4.9050 7.9161 118.2588 55.3421 31.2029 176.5509 139 L 4.9157 9.2822 123.8837 53.7481 44.4028 175.2758 140 S 5.1007 9.3247 123.5693 57.6272 64.5204 173.2027 141 V 4.6455 9.2027 126.3448 61.5505 33.2708 174.1913 142 N 5.4301 9.2895 125.5815 51.4071 41.6208 173.6590 143 V 5.0509 8.4881 122.5600 61.1999 34.4504 175.1964 144 T 4.3139 8.8370 117.3880 61.8667 68.8994 173.7446 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 *24 K 8.31 4.32 0.00 1.51 1.65 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 25 D 7.67 4.24 0.00 2.62 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 0.00 0.00 0.00 0.00 26 Y 8.66 4.80 0.00 2.00 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 0.00 0.00 0.00 27 S 9.09 5.13 0.00 3.97 4.12 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 28 L 8.70 5.06 0.00 1.02 1.59 0.62 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.42 4.67 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 1.23 0.00 0.00 30 M 8.54 4.79 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.55 0.00 31 Q 9.03 4.19 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 32 S 8.66 4.49 0.00 4.00 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 33 S 7.96 5.34 0.00 3.88 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 34 V 8.95 4.62 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 0.87 0.00 0.00 35 T 8.49 5.13 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 1.22 0.00 0.00 36 V 8.63 4.60 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 0.67 0.00 0.00 0.89 0.00 0.00 37 Q 8.46 4.64 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 38 E 8.63 4.16 0.00 2.02 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 2.34 2.41 0.00 39 G 9.12 3.99 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 0.00 40 M 7.94 4.51 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.46 0.00 41 C 8.27 5.42 0.00 2.96 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 42 V 8.57 4.42 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 0.61 0.00 0.00 0.84 0.00 0.00 43 H 8.67 5.26 0.00 2.94 3.15 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.58 4.21 1.85 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 0.90 0.00 0.00 0.77 0.00 0.00 45 R 8.51 4.35 0.00 1.73 1.85 0.00 3.44 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 46 C 8.68 5.15 0.00 3.03 3.04 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 47 S 8.71 5.30 0.00 3.77 3.60 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 0.00 48 F 8.15 5.24 0.00 2.77 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 49 S 9.07 4.79 0.00 3.69 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 0.00 50 Y 7.65 4.19 0.00 2.75 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 51 P 0.00 4.04 0.00 1.89 1.98 0.00 2.82 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 *54 S 8.72 4.49 0.00 3.89 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 55 Q 8.16 4.17 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.74 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 56 T 7.87 4.44 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 1.30 0.00 0.00 57 D 8.38 4.52 0.00 2.74 2.57 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 0.00 0.00 0.00 0.00 58 S 8.11 4.29 0.00 3.84 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 59 D 7.45 4.68 0.00 2.80 2.44 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 60 P 0.00 4.58 0.00 2.02 2.06 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 61 V 8.45 4.22 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 0.98 0.00 0.00 1.02 0.00 0.00 62 H 9.30 5.00 0.00 3.03 2.60 0.00 5.62 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 63 G 9.01 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 0.00 0.00 0.00 64 Y 7.41 4.72 0.00 2.47 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 0.00 0.00 0.00 65 W 9.11 5.13 0.00 3.31 3.17 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 66 F 8.99 5.15 0.00 1.58 2.54 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 67 R 8.73 4.15 0.00 1.65 1.78 0.00 3.16 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.00 68 A 8.77 4.19 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 69 G 9.30 3.51 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 0.00 *75 K 7.48 4.36 0.00 1.81 1.78 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.02 7.81 76 A 7.86 4.53 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 77 P 0.00 3.98 0.00 1.98 1.13 0.00 4.18 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 78 V 8.59 3.82 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 0.64 0.00 0.00 1.12 0.00 0.00 79 A 7.67 4.73 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 80 T 8.41 4.82 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 1.24 0.00 0.00 81 N 8.55 4.66 0.00 2.75 2.88 0.00 0.00 5.95 8.04 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 82 N 7.95 4.59 0.00 2.27 2.48 0.00 0.00 6.93 7.33 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 83 P 0.00 4.49 0.00 2.26 2.20 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 84 A 8.08 4.32 1.46 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 0.00 0.00 0.00 85 W 8.06 4.73 0.00 3.42 3.27 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 86 A 8.57 4.29 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 87 V 7.92 4.65 2.16 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 0.82 0.00 0.00 0.95 0.00 0.00 88 Q 8.70 4.11 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 89 E 8.82 4.05 0.00 1.99 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 2.40 2.28 0.00 90 E 8.24 3.94 0.00 1.88 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 2.35 0.00 91 T 7.30 4.31 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 0.41 0.00 0.00 92 R 7.21 4.04 0.00 1.98 1.90 0.00 3.41 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 93 D 8.92 4.64 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 94 R 8.11 4.62 0.00 1.92 2.21 0.00 3.44 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 95 F 8.27 5.06 0.00 2.63 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 96 H 9.01 4.89 0.00 3.04 3.12 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.72 4.52 0.00 1.87 1.71 1.24 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.55 4.15 0.00 1.58 1.72 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.31 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 0.00 100 D 8.58 4.84 0.00 2.78 2.59 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 0.00 101 P 0.00 4.79 0.00 2.54 2.44 0.00 3.73 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 102 Q 8.35 4.08 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.32 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 103 T 7.90 4.43 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 1.21 0.00 0.00 104 K 8.05 2.81 0.00 1.73 1.58 0.00 1.34 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.04 1.17 7.81 105 N 8.37 5.34 0.00 2.64 2.94 0.00 0.00 7.01 7.65 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 0.00 106 C 8.63 4.82 0.00 1.86 1.30 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 0.00 107 T 8.13 4.17 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 1.18 0.00 0.00 108 L 8.49 4.79 0.00 0.82 0.92 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.85 5.11 0.00 3.69 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 0.00 110 I 8.63 4.60 1.46 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.27 0.48 0.00 0.00 111 R 8.62 4.71 0.00 1.73 1.84 0.00 3.22 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.54 0.00 112 D 8.59 4.38 0.00 2.75 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 0.00 113 A 8.01 4.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 9.17 4.95 0.00 1.87 1.84 0.00 3.18 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 115 M 8.67 4.03 0.00 2.11 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 2.69 2.62 0.00 116 S 7.99 4.39 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.26 4.59 0.00 2.94 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 0.00 118 A 7.92 4.33 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 0.00 119 G 7.57 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 0.00 0.00 0.00 120 R 7.61 5.32 0.00 1.77 2.06 0.00 3.27 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 121 Y 9.29 5.56 0.00 3.12 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 0.00 122 F 9.53 5.68 0.00 3.41 3.27 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 0.00 123 F 8.73 4.52 0.00 1.51 2.51 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 0.00 124 R 7.83 5.14 0.00 2.08 1.74 0.00 3.16 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 125 M 8.71 5.04 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.01 0.00 126 E 8.99 5.18 0.00 2.05 1.92 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 2.27 2.35 0.00 127 K 9.57 4.65 0.00 1.67 1.51 0.00 1.84 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.34 1.46 7.81 128 G 8.85 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 N 9.02 4.58 0.00 2.77 2.93 0.00 0.00 6.81 7.45 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 0.00 130 I 7.90 4.21 1.99 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 1.41 0.72 1.14 0.00 0.00 131 K 8.40 5.18 0.00 1.58 1.63 0.00 2.00 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.46 7.81 132 W 8.76 4.40 0.00 2.98 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.87 4.88 0.00 2.15 2.36 0.00 0.00 7.09 7.46 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 0.00 134 Y 8.96 4.69 0.00 3.31 3.17 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 0.00 135 K 7.68 4.10 0.00 1.28 1.31 0.00 1.15 0.00 0.00 0.80 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.30 0.72 7.81 136 Y 8.07 4.49 0.00 3.07 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 0.00 137 D 7.88 5.14 0.00 2.86 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 0.00 138 Q 7.92 4.90 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.71 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 139 L 9.28 4.92 0.00 1.91 1.73 0.99 0.65 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 0.00 140 S 9.32 5.10 0.00 3.84 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 0.00 141 V 9.20 4.65 2.40 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 1.01 0.00 0.00 0.88 0.00 0.00 142 N 9.29 5.43 0.00 2.64 2.69 0.00 0.00 5.99 7.22 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 0.00 143 V 8.49 5.05 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 0.86 0.00 0.00 1.02 0.00 0.00 144 T 8.84 4.31 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.