NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *18 L 4.3399 8.1849 120.7749 53.9716 43.4700 177.0225 19 R 4.1157 8.0334 117.3189 54.2968 31.7574 174.3366 20 H 4.7876 7.6274 115.8890 55.8970 31.3213 173.5552 21 T 4.6904 8.1202 111.0765 61.0280 71.6548 172.8882 22 F 5.4502 9.1000 122.4782 57.3527 43.3754 173.1977 23 V 4.3326 8.0792 116.9074 59.5648 36.7293 174.1634 24 V 4.7219 8.4842 121.0247 61.2172 34.4235 173.8549 25 A 5.0546 9.0843 130.2021 50.2998 21.6416 175.1801 26 D 4.8808 9.5031 122.8895 53.3230 41.3717 176.7686 27 A 4.4043 8.6269 128.8819 54.2423 18.5494 178.6132 28 T 3.9575 8.3169 105.1626 63.3685 69.4093 174.4236 29 L 4.6841 7.4932 123.5862 52.1011 43.5328 175.1676 30 P 4.1874 0.0000 0.0000 66.2528 30.7924 176.6522 31 D 4.5159 8.1052 114.8587 53.0545 41.5971 175.3140 32 C 4.2605 7.7782 113.6533 60.7802 25.9931 171.2371 33 P 4.6986 0.0000 0.0000 62.6331 33.2156 176.9318 34 L 4.6917 9.3410 122.3738 54.7812 42.6178 177.8290 35 V 4.4697 9.1824 115.8844 61.2115 33.2672 175.0239 36 Y 4.7599 7.4930 119.5808 56.6665 42.0306 172.6877 37 A 4.4942 7.0913 126.5773 49.8037 22.2582 176.0520 38 S 4.4048 8.7708 117.4428 57.7235 64.3863 175.3559 39 E 4.3131 9.0012 118.5886 59.2921 29.2077 179.4081 40 G 3.6208 8.0802 106.8294 47.4348 0.0000 175.3096 41 F 3.9942 7.9530 122.9410 61.3996 39.4214 176.8631 42 Y 4.6957 8.0638 116.8726 60.5653 37.5443 178.3425 43 A 3.9865 7.7414 120.0788 55.3382 18.6298 178.9832 44 M 3.8657 8.1570 115.8043 59.1469 32.5793 178.4044 45 T 4.0017 7.7979 109.8396 62.8362 68.8379 176.0416 46 G 3.8627 8.2433 108.9100 45.1408 0.0000 172.5931 47 Y 4.7229 7.7389 116.9714 56.3003 40.1288 175.2047 48 G 3.8841 8.5315 111.0115 42.9544 0.0000 173.1664 49 P 3.8224 0.0000 0.0000 65.4524 31.0043 178.0234 50 D 4.4731 7.9345 117.1849 56.0238 41.0022 176.5252 51 E 4.4989 8.7358 117.4571 56.1302 30.6715 176.7662 52 V 4.1908 7.4836 111.4171 62.1943 34.2258 176.1313 53 L 4.1991 7.7094 119.6621 56.3220 41.6802 177.2805 54 G 3.8117 9.5949 111.9801 45.9186 0.0000 172.2149 55 H 4.9892 7.9304 115.6370 53.7849 33.1580 171.5941 56 N 5.1642 8.5879 118.8504 52.1338 40.0717 176.0372 57 C 3.5777 8.5840 118.7263 58.3966 29.2154 175.1020 58 R 4.2459 8.7448 117.5046 57.9851 29.3434 177.5542 59 F 4.5109 7.4562 112.9165 58.1123 38.5844 175.8593 60 L 4.3645 7.0682 120.8570 55.2579 41.9699 176.5719 61 Q 4.6302 7.3294 117.7882 55.2998 30.4158 175.7695 62 G 3.6857 9.4772 107.1205 45.5893 0.0000 172.5015 63 E 3.6622 8.3932 117.6106 60.2204 29.8804 179.8046 64 G 3.7812 9.2471 110.3283 48.1868 0.0000 173.9300 65 T 3.6410 7.7489 117.1885 64.0350 68.8923 173.8905 66 D 4.5753 8.6982 125.9936 52.8257 41.6446 174.7439 67 P 4.3010 0.0000 0.0000 65.7133 30.7675 178.1666 68 K 3.9591 8.1064 119.0552 59.3364 32.3759 178.3002 69 E 4.1061 8.0508 118.5022 59.2951 29.4112 179.3331 70 V 3.5256 7.7497 118.2394 66.2320 31.5236 177.7731 71 Q 4.0342 8.2966 119.1423 58.8347 28.6513 178.5803 72 K 4.0494 8.0919 119.5684 59.2090 32.2630 179.2335 73 I 3.6408 7.7768 120.1860 64.1914 36.9381 177.9969 74 R 3.7652 7.9965 119.0609 59.8084 29.6646 177.7711 75 D 4.3867 7.8244 117.9778 57.3985 40.8213 178.5983 76 A 4.1295 8.0735 121.0910 55.4369 18.3402 179.6369 77 I 3.8216 8.1077 118.2480 64.4884 36.9657 178.5004 78 K 3.8944 8.5767 118.8235 59.8076 32.1472 179.1246 79 K 4.2261 8.9553 116.7459 56.2449 32.9345 176.8678 80 G 4.1102 8.5307 107.7008 47.0611 0.0000 173.4440 81 E 4.9109 9.0244 116.7844 53.8099 33.2450 177.6959 82 A 4.5030 8.7807 124.4703 52.8359 19.5639 176.1290 83 C 4.7432 8.7947 116.6070 58.8775 35.7442 172.6247 84 S 5.2186 8.7116 118.3580 56.9053 65.2483 173.0855 85 V 4.5574 8.6994 117.8940 60.4384 36.8533 172.7512 86 R 5.1267 8.5355 122.2141 54.7937 31.8172 174.9047 87 L 4.9962 8.9556 125.5163 52.7710 46.1997 175.1974 88 L 3.8498 8.2349 123.8264 54.0548 42.7649 175.4310 89 N 4.9891 8.2150 123.1416 51.3595 42.6457 172.8102 90 Y 5.0353 8.7121 118.2277 56.1619 40.8168 176.5945 91 R 4.5622 9.4313 123.6578 55.5838 31.1104 177.4927 92 K 3.6618 8.4289 119.4144 58.5686 31.8733 177.1835 93 D 4.5019 7.8440 115.9371 53.3881 39.9729 176.0354 94 G 4.1587 8.1321 108.5704 45.7010 0.0000 174.5843 95 T 4.0804 8.9999 111.4844 61.7011 69.3806 172.8523 96 P 4.6411 0.0000 0.0000 62.1544 33.1753 174.9168 97 F 4.5825 7.7258 112.2292 55.7987 41.3924 173.0453 98 W 4.5733 8.7162 121.5841 56.2254 30.6127 174.7532 99 N 5.1777 9.5057 124.1462 51.9683 40.2881 173.3871 100 L 4.7326 9.3795 130.8661 54.1227 42.1647 174.6138 101 L 4.8445 8.6076 127.5717 53.9952 44.4226 175.2363 102 T 5.0354 8.5426 120.4135 62.0224 72.4002 172.7933 103 V 4.8499 9.3895 128.1980 61.5259 33.9044 174.5785 104 T 5.1666 9.8334 125.0340 61.1396 71.7813 171.8160 105 P 3.9201 0.0000 0.0000 62.2361 33.1278 175.9145 106 I 4.3593 8.0540 121.6742 59.7336 39.7816 174.6821 107 K 4.9662 8.4325 126.6536 54.7314 34.0361 177.1270 108 T 4.1840 9.2404 114.8609 60.3357 69.5631 173.8547 109 P 4.3125 0.0000 0.0000 65.3033 31.4660 176.2675 110 D 4.7507 7.8270 117.7109 53.2548 39.8894 178.5550 111 G 4.1533 8.1553 112.9706 47.0508 0.0000 175.7575 112 R 3.9946 7.4960 118.0221 56.0593 30.6533 176.0056 113 V 4.1731 8.0902 121.0434 62.6512 32.8281 174.7430 114 S 4.6418 9.3629 120.8279 59.4311 64.6026 173.6255 115 K 5.1812 7.6553 116.4094 54.7881 37.1571 174.8428 116 F 5.1192 9.1686 119.6578 55.7382 42.3962 174.5235 117 V 4.8433 9.6594 123.8601 61.0624 34.3215 174.4819 118 G 4.3286 8.8340 114.0167 44.3668 0.0000 171.4088 119 V 4.9765 8.9168 123.9586 61.1699 33.8666 174.4819 120 Q 4.8995 8.8933 127.3332 54.8983 31.3310 175.3006 121 V 4.6191 8.3023 120.6041 61.6272 35.0915 173.7708 122 D 5.4358 8.9091 128.3318 53.2076 40.4153 175.2907 123 V 4.4125 8.1185 120.3337 61.4991 32.5095 178.0588 124 T 4.1034 8.9352 119.1062 64.7728 68.6016 174.8435 125 S 4.0613 7.6694 122.6989 59.0067 63.6370 171.7710 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 *18 L 8.18 4.34 0.00 1.68 1.45 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.03 4.12 0.00 1.88 1.87 0.00 3.40 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 20 H 7.63 4.79 0.00 3.38 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.12 4.69 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 1.31 0.00 0.00 22 F 9.10 5.45 0.00 3.25 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 23 V 8.08 4.33 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.74 0.00 0.00 24 V 8.48 4.72 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 0.98 0.00 0.00 0.88 0.00 0.00 25 A 9.08 5.05 1.32 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 0.00 0.00 26 D 9.50 4.88 0.00 2.72 2.60 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 27 A 8.63 4.40 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 28 T 8.32 3.96 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 1.25 0.00 0.00 29 L 7.49 4.68 0.00 1.86 1.61 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.19 0.00 2.18 2.22 0.00 3.77 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 2.01 2.00 0.00 31 D 8.11 4.52 0.00 2.65 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 32 C 7.78 4.26 0.00 3.15 2.94 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 33 P 0.00 4.70 0.00 2.06 2.18 0.00 3.93 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 34 L 9.34 4.69 0.00 1.54 1.47 0.69 0.84 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 35 V 9.18 4.47 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 0.66 0.00 0.00 1.00 0.00 0.00 36 Y 7.49 4.76 0.00 3.05 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 37 A 7.09 4.49 0.20 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 38 S 8.77 4.40 0.00 3.99 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 0.00 39 E 9.00 4.31 0.00 2.32 2.37 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 2.43 2.43 0.00 40 G 8.08 3.62 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 0.00 0.00 0.00 41 F 7.95 3.99 0.00 2.96 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 42 Y 8.06 4.70 0.00 3.20 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 7.74 3.99 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 44 M 8.16 3.87 0.00 1.81 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 45 T 7.80 4.00 4.45 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 0.57 0.00 0.00 46 G 8.24 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 0.00 0.00 0.00 47 Y 7.74 4.72 0.00 3.36 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 48 G 8.53 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 0.00 0.00 0.00 49 P 0.00 3.82 0.00 2.12 2.11 0.00 3.18 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 50 D 7.93 4.47 0.00 2.63 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 51 E 8.74 4.50 0.00 2.04 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 2.27 2.27 0.00 52 V 7.48 4.19 2.46 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 1.47 0.00 0.00 1.28 0.00 0.00 53 L 7.71 4.20 0.00 1.77 1.64 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.59 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 0.00 0.00 0.00 55 H 7.93 4.99 0.00 3.30 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.59 5.16 0.00 2.88 2.75 0.00 0.00 6.62 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 57 C 8.58 3.58 0.00 2.87 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 58 R 8.74 4.25 0.00 1.94 2.35 0.00 2.78 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.60 0.00 59 F 7.46 4.51 0.00 3.08 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 60 L 7.07 4.36 0.00 1.58 1.59 0.81 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 7.33 4.63 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 62 G 9.48 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.39 3.66 0.00 1.81 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 2.32 2.34 0.00 64 G 9.25 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 0.00 0.00 0.00 65 T 7.75 3.64 4.33 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 1.17 0.00 0.00 66 D 8.70 4.58 0.00 2.86 2.64 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 67 P 0.00 4.30 0.00 2.30 2.31 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 68 K 8.11 3.96 0.00 1.80 2.16 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.62 7.81 69 E 8.05 4.11 0.00 2.27 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 2.58 2.64 0.00 70 V 7.75 3.53 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 0.96 0.00 0.00 0.91 0.00 0.00 71 Q 8.30 4.03 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 72 K 8.09 4.05 0.00 1.99 1.83 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.82 7.81 73 I 7.78 3.64 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.78 0.00 0.00 74 R 8.00 3.77 0.00 1.83 2.06 0.00 3.18 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 75 D 7.82 4.39 0.00 2.72 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 76 A 8.07 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 77 I 8.11 3.82 1.93 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.38 0.71 0.00 0.00 78 K 8.58 3.89 0.00 1.85 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.65 7.81 79 K 8.96 4.23 0.00 1.83 2.01 0.00 2.01 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.61 7.81 80 G 8.53 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 0.00 0.00 0.00 0.00 81 E 9.02 4.91 0.00 1.80 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 2.26 2.30 0.00 82 A 8.78 4.50 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 83 C 8.79 4.74 0.00 2.94 2.74 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 0.00 0.00 0.00 84 S 8.71 5.22 0.00 3.89 3.68 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 85 V 8.70 4.56 2.30 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 0.71 0.00 0.00 0.94 0.00 0.00 86 R 8.54 5.13 0.00 1.81 1.85 0.00 3.13 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 87 L 8.96 5.00 0.00 1.54 1.41 0.89 0.23 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 88 L 8.23 3.85 0.00 0.27 1.06 -0.50 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.22 4.99 0.00 1.44 2.18 0.00 0.00 6.35 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 90 Y 8.71 5.04 0.00 2.71 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 91 R 9.43 4.56 0.00 2.07 1.97 0.00 3.07 0.00 0.00 3.00 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.90 0.00 92 K 8.43 3.66 0.00 0.79 1.28 0.00 1.45 0.00 0.00 1.50 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.20 0.94 7.81 93 D 7.84 4.50 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 94 G 8.13 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 95 T 9.00 4.08 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 1.34 0.00 0.00 96 P 0.00 4.64 0.00 1.42 1.27 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.87 0.00 97 F 7.73 4.58 0.00 2.93 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.72 4.57 0.00 3.39 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 99 N 9.51 5.18 0.00 2.62 2.74 0.00 0.00 6.45 6.57 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 0.00 100 L 9.38 4.73 0.00 1.82 1.78 0.95 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.61 4.84 0.00 2.03 1.52 1.04 0.64 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 0.00 102 T 8.54 5.04 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 1.25 0.00 0.00 103 V 9.39 4.85 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 0.97 0.00 0.00 0.89 0.00 0.00 104 T 9.83 5.17 4.33 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 1.24 0.00 0.00 105 P 0.00 3.92 0.00 1.74 1.64 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 106 I 8.05 4.36 1.84 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 1.31 1.11 0.87 0.00 0.00 107 K 8.43 4.97 0.00 1.56 1.94 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 108 T 9.24 4.18 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 1.23 0.00 0.00 109 P 0.00 4.31 0.00 2.19 2.23 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 110 D 7.83 4.75 0.00 2.91 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 0.00 111 G 8.16 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 0.00 112 R 7.50 3.99 0.00 1.91 1.85 0.00 3.11 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 113 V 8.09 4.17 2.03 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 0.41 0.00 0.00 0.82 0.00 0.00 114 S 9.36 4.64 0.00 3.83 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 0.00 115 K 7.66 5.18 0.00 1.63 1.72 0.00 1.69 0.00 0.00 1.87 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.39 7.81 116 F 9.17 5.12 0.00 2.96 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 0.00 117 V 9.66 4.84 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 1.31 0.00 0.00 1.05 0.00 0.00 118 G 8.83 4.33 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 0.00 0.00 0.00 119 V 8.92 4.98 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 0.97 0.00 0.00 1.09 0.00 0.00 120 Q 8.89 4.90 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 121 V 8.30 4.62 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 0.97 0.00 0.00 1.00 0.00 0.00 122 D 8.91 5.44 0.00 2.72 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 0.00 123 V 8.12 4.41 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 0.81 0.00 0.00 1.02 0.00 0.00 124 T 8.94 4.10 4.38 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 1.38 0.00 0.00 125 S 7.67 4.06 0.00 3.91 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 * Residues marked with a * may have inaccurate shift predictions.