NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0231 8.2127 108.0287 46.2945 0.0000 171.7427 3 R 4.8807 8.3190 120.4183 52.7870 31.6458 174.1352 4 F 5.0888 8.1685 120.2366 55.9067 42.2769 172.6976 5 V 4.6017 8.5646 119.2285 60.8670 33.0986 175.3734 6 V 4.7120 9.3858 123.8799 61.0827 33.9149 173.7736 7 W 5.1676 9.5024 135.0000 55.1203 32.1592 175.0582 8 P 4.2036 0.0000 0.0000 65.6771 31.4325 178.7155 9 S 3.7555 6.7523 113.6528 61.0005 62.9087 176.1805 10 E 4.4049 8.3114 119.9764 57.7943 29.4791 178.0137 11 L 4.7377 7.8586 118.7089 55.1076 41.0625 175.0831 12 D 5.1039 7.7919 120.0558 53.3143 41.2125 177.2113 13 S 4.2868 8.5381 122.7158 60.5983 63.2060 175.7774 14 R 4.0550 8.1615 119.1048 57.6847 30.1831 176.1775 15 L 4.7259 7.3803 117.9191 52.5759 43.9528 176.4996 16 S 4.5726 8.3656 116.4028 57.4318 64.4997 175.4062 17 R 4.4630 8.5061 118.8647 58.7457 30.0098 179.1607 18 K 3.6940 7.4255 118.3449 59.4580 32.0820 176.7116 19 Y 4.5385 7.9328 113.3417 57.5609 37.8549 175.2435 20 G 3.9211 8.1533 110.6567 45.5164 0.0000 174.6882 21 R 4.2812 8.1623 122.0119 56.5953 30.7707 176.4714 22 I 4.1368 8.6707 125.7267 62.8105 38.7074 177.0908 23 V 3.9839 7.4286 111.4445 59.7798 32.5030 174.7359 24 P 4.3269 0.0000 0.0000 62.8641 32.8135 177.7578 25 R 3.8687 8.6200 121.2948 59.6470 30.0542 178.7769 26 S 4.2566 8.0160 112.5141 60.6563 63.2565 175.5169 27 I 4.0649 7.4560 121.7266 62.0068 37.9210 175.9854 28 A 4.2922 7.4271 120.3844 52.4463 19.0383 177.4462 29 V 4.5031 8.3775 112.0452 59.1379 35.7437 175.1095 30 E 4.1041 8.7227 122.4696 56.6716 29.6971 177.6772 31 S 3.5848 8.6825 122.6684 58.7102 60.8777 171.3611 32 P 4.4470 0.0000 0.0000 63.0042 32.3261 177.4856 33 R 4.3893 9.1359 121.7759 54.9172 32.5834 177.8188 34 V 3.6350 8.3100 121.0350 66.5896 31.4267 178.3779 35 E 3.9788 8.1897 117.5248 59.4861 29.2341 179.1090 36 E 4.0392 8.0364 118.2395 59.3292 29.5658 179.2303 37 I 3.7945 7.9708 119.9872 64.2943 37.1812 178.5793 38 V 3.6262 8.1475 119.4336 66.0626 31.3810 178.0366 39 R 3.8809 8.3693 118.4343 59.2850 29.8182 178.2888 40 A 4.1350 8.7386 120.7902 55.2223 18.3809 179.3174 41 A 3.8208 8.4152 119.6570 55.5140 18.5876 179.7595 42 E 3.9492 8.3771 116.9532 59.6542 29.3104 179.5106 43 E 4.0671 8.2094 117.6665 59.0003 29.6283 178.5258 44 L 4.0154 7.6421 116.5851 54.0725 41.8055 176.9685 45 K 3.9133 7.4101 116.9290 57.3754 29.9893 175.4059 46 F 5.0277 8.0862 117.6412 56.7958 40.1792 175.6891 47 K 4.2128 8.6879 124.9015 56.1678 33.3713 175.6194 48 V 4.3049 8.3991 127.7162 62.4031 31.7300 175.0736 49 I 4.2329 8.9003 129.5692 63.0887 38.4256 176.4488 50 R 4.7053 7.6437 120.2673 54.7619 33.8490 173.9214 51 V 4.8567 8.3911 124.1589 61.2038 34.2908 173.9086 52 E 4.9412 9.3647 129.4697 54.3167 32.4252 174.3361 53 E 5.3027 8.7120 123.2862 55.0161 33.1398 173.9134 54 D 4.8739 9.8177 121.4404 52.6333 44.6262 173.9775 55 K 5.2306 8.9534 124.9079 54.7323 35.0162 175.4045 56 L 4.8663 9.6962 128.2447 53.1414 45.1553 176.4130 57 N 4.4957 9.2595 122.9670 53.6343 36.9092 171.3793 58 P 5.2000 0.0000 0.0000 62.4507 32.4820 171.1302 *68 R 5.1111 7.0110 116.8130 56.0952 32.2100 174.6098 69 T 5.1138 7.2919 113.2227 61.6605 71.5479 173.1747 70 F 4.8909 9.3054 123.4621 55.7613 43.8618 174.5209 71 G 4.2856 8.6218 107.2109 47.7456 0.0000 171.4307 72 M 5.2024 8.2317 114.8983 54.5064 34.9454 173.8929 73 I 5.0023 8.8279 121.0938 59.6786 41.3195 174.4012 74 V 4.6078 8.8837 127.3674 61.5402 33.0962 174.6676 75 L 5.2124 8.6075 126.8107 52.9215 46.4549 174.9987 76 E 4.8642 9.0726 120.4890 54.6998 32.0992 175.2843 77 S 4.6117 8.5918 118.3006 55.7412 65.4374 172.3092 78 P 4.2202 0.0000 0.0000 64.1842 31.5514 175.5758 79 Y 4.7940 7.2019 116.7119 55.8502 40.4628 175.9024 80 G 3.7934 8.3251 107.9068 44.2028 0.0000 174.6294 81 K 2.6820 7.9108 120.7068 58.9227 32.0645 178.6812 82 S 3.9828 7.7687 112.8376 61.3195 62.3650 175.9473 83 K 3.9187 7.8995 121.7256 59.6004 32.0057 178.7527 84 S 4.4389 8.1705 115.4846 61.6769 62.7082 176.6400 85 L 4.1128 8.4782 122.0940 57.7721 41.3095 179.7552 86 K 3.9634 7.9472 117.8924 59.5164 32.0123 179.4429 87 L 3.9755 8.1474 119.2591 57.7403 41.4716 179.7147 88 I 3.6907 8.1383 119.6543 64.2434 37.0839 178.2381 89 A 3.9690 8.1854 121.7314 55.4515 18.2436 179.7928 90 Q 3.8893 8.2486 116.5903 58.7588 28.6367 178.8373 91 K 3.5684 8.0149 120.8221 59.2938 32.0607 179.0226 92 I 3.6267 7.6616 120.1632 64.1824 37.0140 178.1844 93 R 3.8359 7.9516 119.6099 59.4897 29.7621 178.1247 94 E 3.8613 8.0603 118.8272 59.2005 29.5791 178.5303 95 F 4.5266 8.0676 118.1719 61.1178 39.0616 178.0285 96 R 4.0037 8.4355 117.6455 59.2142 29.9045 179.4870 97 R 3.9939 8.2114 120.4831 59.8611 29.8810 179.8014 98 R 3.9882 8.0943 119.5979 61.5403 29.8009 180.2294 99 S 4.4153 8.3781 113.9162 61.2036 62.1630 176.1325 100 A 4.1374 7.9195 122.5916 54.9434 18.2539 179.1070 101 G 3.7960 7.7562 100.7422 44.9159 0.0000 173.8863 102 T 4.0770 7.2362 120.9995 64.6338 69.3272 175.4805 103 L 4.0999 8.5905 125.0096 54.5487 40.7061 171.3138 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 G 8.21 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 3 R 8.32 4.88 0.00 1.85 1.80 0.00 3.25 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 4 F 8.17 5.09 0.00 3.06 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 5 V 8.56 4.60 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 0.80 0.00 0.00 1.08 0.00 0.00 6 V 9.39 4.71 2.23 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 1.13 0.00 0.00 1.22 0.00 0.00 7 W 9.50 5.17 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 8 P 0.00 4.20 0.00 2.04 2.15 0.00 3.74 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 9 S 6.75 3.76 0.00 2.72 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 10 E 8.31 4.40 0.00 2.16 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 0.00 2.55 2.56 0.00 11 L 7.86 4.74 0.00 1.78 1.81 0.93 0.93 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 12 D 7.79 5.10 0.00 2.56 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 13 S 8.54 4.29 0.00 3.99 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 14 R 8.16 4.05 0.00 1.83 1.98 0.00 3.13 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 15 L 7.38 4.73 0.00 1.71 1.60 0.74 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.37 4.57 0.00 4.07 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 17 R 8.51 4.46 0.00 1.90 2.03 0.00 3.43 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.59 0.00 18 K 7.43 3.69 0.00 1.79 1.70 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.76 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.97 1.25 7.81 19 Y 7.93 4.54 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 3.92 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 0.00 0.00 0.00 21 R 8.16 4.28 0.00 1.94 1.92 0.00 3.26 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.79 0.00 22 I 8.67 4.14 2.00 0.00 0.00 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 1.35 0.98 0.91 0.00 0.00 23 V 7.43 3.98 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 0.70 0.00 0.00 0.97 0.00 0.00 24 P 0.00 4.33 0.00 2.14 1.97 0.00 3.59 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 2.14 0.00 25 R 8.62 3.87 0.00 1.79 1.96 0.00 3.23 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 26 S 8.02 4.26 0.00 4.05 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 27 I 7.46 4.06 1.96 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 1.55 0.57 0.89 0.00 0.00 28 A 7.43 4.29 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 29 V 8.38 4.50 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 0.74 0.00 0.00 0.91 0.00 0.00 30 E 8.72 4.10 0.00 1.83 1.87 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 2.29 2.32 0.00 31 S 8.68 3.58 0.00 3.93 3.81 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 P 0.00 4.45 0.00 2.15 2.05 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 33 R 9.14 4.39 0.00 1.85 2.16 0.00 3.26 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 34 V 8.31 3.64 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 1.21 0.00 0.00 0.98 0.00 0.00 35 E 8.19 3.98 0.00 2.09 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 2.40 2.47 0.00 36 E 8.04 4.04 0.00 2.23 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 2.45 2.42 0.00 37 I 7.97 3.79 2.09 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 1.46 0.73 1.00 0.00 0.00 38 V 8.15 3.63 2.25 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 1.02 0.00 0.00 0.98 0.00 0.00 39 R 8.37 3.88 0.00 1.89 2.05 0.00 2.73 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.43 0.00 40 A 8.74 4.13 1.43 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 0.00 0.00 0.00 41 A 8.42 3.82 1.53 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 0.00 0.00 42 E 8.38 3.95 0.00 2.19 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 2.35 2.46 0.00 43 E 8.21 4.07 0.00 2.18 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 0.00 2.43 2.70 0.00 44 L 7.64 4.02 0.00 0.65 0.53 0.67 0.92 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 45 K 7.41 3.91 0.00 2.00 1.96 0.00 1.72 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.55 7.81 46 F 8.09 5.03 0.00 2.96 2.95 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 0.00 0.00 0.00 0.00 47 K 8.69 4.21 0.00 1.90 1.66 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.39 7.81 48 V 8.40 4.30 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 0.87 0.00 0.00 0.97 0.00 0.00 49 I 8.90 4.23 1.94 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 1.05 0.92 0.89 0.00 0.00 50 R 7.64 4.71 0.00 1.84 1.70 0.00 3.13 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 51 V 8.39 4.86 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 0.87 0.00 0.00 0.96 0.00 0.00 52 E 9.36 4.94 0.00 2.04 1.79 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 2.21 2.39 0.00 53 E 8.71 5.30 0.00 2.01 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 2.21 2.34 0.00 54 D 9.82 4.87 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 55 K 8.95 5.23 0.00 1.68 1.72 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.47 7.81 56 L 9.70 4.87 0.00 1.67 1.61 0.87 0.57 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 57 N 9.26 4.50 0.00 2.74 2.65 0.00 0.00 6.57 7.75 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 58 P 0.00 5.20 0.00 2.12 1.89 0.00 3.74 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.32 0.00 *68 R 7.01 5.11 0.00 1.93 1.89 0.00 3.47 0.00 0.00 3.30 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 69 T 7.29 5.11 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 1.17 0.00 0.00 70 F 9.31 4.89 0.00 3.03 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 71 G 8.62 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 72 M 8.23 5.20 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.60 0.00 73 I 8.83 5.00 1.95 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 1.18 0.93 0.96 0.00 0.00 74 V 8.88 4.61 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 0.86 0.00 0.00 0.94 0.00 0.00 75 L 8.61 5.21 0.00 1.00 1.22 1.08 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 76 E 9.07 4.86 0.00 1.75 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 2.11 2.11 0.00 77 S 8.59 4.61 0.00 2.72 3.49 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 78 P 0.00 4.22 0.00 1.50 1.90 0.00 3.06 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.93 0.00 79 Y 7.20 4.79 0.00 3.01 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 80 G 8.33 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 81 K 7.91 2.68 0.00 0.79 1.36 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.26 1.01 7.81 82 S 7.77 3.98 0.00 3.86 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 83 K 7.90 3.92 0.00 1.80 1.78 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.22 1.34 7.81 84 S 8.17 4.44 0.00 4.23 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 0.00 85 L 8.48 4.11 0.00 1.81 1.75 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.95 3.96 0.00 1.97 1.83 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.59 7.81 87 L 8.15 3.98 0.00 2.01 1.74 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 88 I 8.14 3.69 2.12 0.00 0.00 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 1.59 0.95 0.97 0.00 0.00 89 A 8.19 3.97 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 90 Q 8.25 3.89 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 91 K 8.01 3.57 0.00 1.81 1.50 0.00 1.28 0.00 0.00 1.46 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.12 0.57 7.81 92 I 7.66 3.63 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.73 0.96 0.00 0.00 93 R 7.95 3.84 0.00 1.84 2.11 0.00 3.26 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 94 E 8.06 3.86 0.00 1.97 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 2.30 2.33 0.00 95 F 8.07 4.53 0.00 3.29 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 96 R 8.44 4.00 0.00 1.87 2.00 0.00 3.14 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 1.70 1.94 0.00 97 R 8.21 3.99 0.00 2.02 1.98 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 98 R 8.09 3.99 0.00 1.89 1.85 0.00 3.27 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 99 S 8.38 4.42 0.00 3.89 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 0.00 100 A 7.92 4.14 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 0.00 101 G 7.76 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 0.00 0.00 0.00 102 T 7.24 4.08 4.40 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 0.00 0.00 0.00 1.21 0.00 0.00 103 L 8.59 4.10 0.00 1.82 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.