NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0569 8.0549 120.3926 62.3817 32.7227 174.6988 2 L 4.1478 8.2159 123.2299 52.5528 42.5518 175.9483 3 S 4.7671 9.1812 118.2866 56.2249 67.4656 173.3470 4 P 4.2231 0.0000 0.0000 65.7880 30.9766 178.8816 5 A 3.9918 7.9018 119.0426 55.2248 18.3843 179.1639 6 D 4.6127 8.1863 118.9592 56.8524 40.7541 179.3426 7 K 3.9114 8.0427 118.9513 59.7471 32.0860 179.3986 8 T 3.8403 7.7924 115.9475 66.8711 68.3352 176.4101 9 N 4.3404 8.2055 118.2671 56.1487 38.4842 177.7092 10 V 3.4928 7.8545 119.6974 65.9484 31.6049 178.2310 11 K 3.9550 8.2511 118.2408 59.2834 31.8422 179.2970 12 A 3.9554 8.0780 120.7831 55.0534 18.4068 179.4298 13 A 3.9588 8.1214 119.3258 55.3168 18.3294 179.7590 14 W 4.0905 8.7520 127.1190 60.3768 30.4478 178.3942 15 G 3.6162 7.9909 105.3443 47.5818 0.0000 175.6678 16 K 4.1435 7.8596 120.0058 58.7986 32.4303 179.2661 17 V 3.6117 7.5207 118.9953 65.4354 31.5732 176.2683 18 G 3.5985 7.9918 107.4663 46.5213 0.0000 176.7989 19 A 3.8698 8.4227 125.3629 54.9649 18.5536 179.0068 20 H 4.0070 7.3722 111.0298 57.0314 28.4245 177.0613 21 A 3.7160 7.2256 123.9928 55.4253 18.1227 179.6442 22 G 3.7354 8.0456 102.9341 48.2147 0.0000 175.1450 23 E 4.0195 7.9421 120.9410 59.0516 29.6361 178.4137 24 Y 4.4327 8.0235 117.2806 60.8690 38.0325 177.9932 25 G 3.8133 8.7829 106.9030 48.1018 0.0000 175.5435 26 A 4.0720 8.1186 123.2714 54.6473 18.3668 179.3326 27 E 3.8662 8.3762 117.7609 59.3225 29.6399 178.8114 28 A 3.9720 8.2179 120.9205 55.1955 18.3769 179.6158 29 L 3.5094 7.7450 117.2395 57.6616 41.6655 179.3578 30 E 3.9915 8.0258 119.1078 59.4056 29.6206 178.8677 31 R 3.8577 8.2942 118.4769 59.4835 30.0981 178.4576 32 M 4.0886 8.1237 117.9897 58.9849 32.1319 178.1432 33 F 4.5845 7.8345 117.7361 60.7052 38.8372 177.8186 34 L 4.1432 7.8223 117.4574 57.9635 41.7268 179.3937 35 S 4.1061 8.1776 114.0596 59.9070 64.0006 174.7300 36 F 4.9997 8.3095 120.3575 53.8457 39.4822 173.3282 37 P 4.6429 0.0000 0.0000 64.5249 31.5783 177.7235 38 T 4.0592 8.1403 108.6660 64.6514 68.8098 176.3013 39 T 4.3078 8.4660 112.8044 64.4615 68.6523 176.4606 40 K 4.1670 8.3995 121.7576 59.0603 31.7696 178.9346 41 T 3.8353 7.6826 109.0295 64.2830 68.5640 175.1324 42 Y 4.2098 7.7668 117.4425 58.3156 39.2844 175.1062 43 F 4.8317 8.3682 119.5402 55.9823 39.6136 174.9744 44 P 4.3565 0.0000 0.0000 65.5834 31.8320 177.0709 45 H 4.7406 8.4870 112.4516 55.5730 28.8589 174.7089 46 F 4.8728 7.8749 118.9763 56.1644 40.6815 174.7398 47 D 4.6403 9.0005 123.2695 53.6958 41.1667 176.1746 48 L 4.6642 8.2920 126.1626 54.3223 42.4278 176.9128 49 S 4.2988 8.0831 114.2585 57.9533 63.5164 173.1473 50 H 4.3425 8.6008 121.7938 58.0389 29.8283 175.7291 51 G 3.7975 8.8021 114.8121 45.1122 0.0000 173.8541 52 S 4.0213 7.8764 113.8577 59.1451 63.9301 174.9866 53 A 4.0146 8.5437 129.4574 55.1520 18.3042 180.0843 54 Q 3.7818 7.8743 116.4362 58.9075 28.7040 178.8967 55 V 3.7998 7.9112 119.2984 65.9719 31.2827 178.1319 56 K 4.0440 8.3147 118.5152 59.6313 32.0632 179.5394 57 G 3.6434 8.6622 106.1661 47.9974 0.0000 175.1386 58 H 4.7350 8.4969 120.5546 58.6756 29.9772 177.4056 59 G 3.7445 8.4653 108.0967 47.8156 0.0000 175.5353 60 K 4.0407 7.8760 121.5140 59.1384 32.1843 179.1262 61 K 4.0123 7.6884 117.6424 59.4450 31.9738 179.5239 62 V 3.6213 7.9212 118.3845 65.8582 31.4453 178.0071 63 A 4.2583 8.2622 120.6281 55.3835 18.2031 179.3741 64 D 4.4187 8.5768 117.5002 57.3955 40.7821 178.8180 65 A 4.0094 8.1116 121.3761 55.2410 18.3233 179.7352 66 L 3.8179 7.9919 117.4686 58.0352 41.6379 179.7895 67 T 3.7224 8.1058 115.7698 66.6652 68.4306 176.0958 68 N 4.2950 8.4679 118.8220 56.6425 38.7443 176.7130 69 A 4.0311 7.9643 121.4805 55.1683 18.5122 179.4923 70 V 3.5375 7.7806 115.8695 66.0209 31.6509 177.9290 71 A 4.0989 7.9697 119.5029 54.0809 18.9304 177.3970 72 H 5.0304 7.9872 115.3345 54.8246 29.3883 176.4769 73 V 3.8476 7.9275 120.0482 64.6564 31.3900 176.6942 74 D 4.6993 7.9881 117.4621 54.8183 41.6600 175.7800 75 D 4.8113 8.3597 120.6665 52.2667 41.7578 176.8219 76 M 4.0729 8.3614 120.7053 58.1767 32.0578 176.3366 77 P 4.2529 0.0000 0.0000 65.1961 31.6021 177.5062 78 N 4.6274 8.0113 113.8282 54.8515 39.0430 177.1278 79 A 4.0419 7.9731 121.7099 54.3451 18.6225 178.4187 80 L 4.5286 8.0896 116.9051 54.9400 42.6578 179.0077 81 S 4.0246 7.7192 116.0696 61.6599 62.3338 175.8542 82 A 4.0518 7.9195 122.8888 55.1054 18.1381 179.4620 83 L 4.0586 7.8765 117.1657 57.7136 41.7551 179.4225 84 S 4.0182 8.3813 113.6397 61.4335 62.3089 175.9189 85 D 4.2494 7.9164 121.0889 57.1678 40.4805 178.3887 86 L 3.9364 7.8838 120.6976 58.7108 42.1266 178.8961 87 H 4.0833 8.5467 115.8149 58.7632 28.5148 177.6141 88 A 4.1704 7.9458 121.0786 54.0755 18.6831 177.7697 89 H 4.8097 8.2408 112.7900 56.1302 30.9063 175.4451 90 K 4.3026 8.1122 118.7086 57.7465 32.9786 177.0403 91 L 4.1734 8.2191 117.5113 54.8784 42.6814 176.8841 92 R 3.7456 7.8662 115.7995 57.0631 27.1669 176.5623 93 V 3.6412 7.8008 116.4609 61.6055 32.6786 175.1242 94 D 4.5033 8.7748 127.5145 53.9049 41.8508 175.2364 95 P 4.5270 0.0000 0.0000 66.0332 31.6527 178.8721 96 V 3.6969 8.1309 111.2971 64.4842 31.2809 178.2502 97 N 4.2701 8.2748 116.1807 56.0824 38.2452 177.4078 98 F 3.9252 8.2936 119.4800 60.2372 38.8855 177.7271 99 K 4.0992 7.9405 118.2483 59.2960 31.7892 179.4668 100 L 3.6951 7.5146 118.7527 57.5836 41.6515 178.9266 101 L 3.9262 7.7330 120.2457 58.2947 42.0082 179.0507 102 S 4.1588 8.5468 115.4273 62.0176 62.7718 176.2604 103 H 4.2708 8.5456 120.9638 59.6091 29.6365 177.1711 104 C 4.1366 8.3595 118.5166 62.5551 27.8009 176.1155 105 L 4.0287 8.1813 120.8899 57.7639 41.2294 179.4195 106 L 4.0383 8.0597 118.9465 57.8549 41.5961 179.7568 107 V 3.3903 7.8290 118.1704 66.1692 31.2773 178.2968 108 T 3.7141 7.7983 115.4753 66.5757 68.2135 176.8071 109 L 3.7059 8.0181 120.9215 57.4692 41.3542 179.4089 110 A 3.0082 7.1641 119.8441 54.6361 18.2091 179.2187 111 A 3.9223 7.4596 118.2424 54.7233 18.5656 178.7312 112 H 4.4615 7.5621 113.0468 55.8710 30.9788 175.7263 113 L 4.8148 7.7794 121.2021 52.2942 41.4118 175.1046 114 P 4.2195 0.0000 0.0000 65.8234 31.7979 178.6508 115 A 4.1945 7.9238 120.4315 54.3164 18.7128 178.2166 116 E 4.1822 8.1671 114.4665 58.9815 30.5002 177.6025 117 F 4.3086 8.0237 122.1122 57.5917 37.5795 174.6686 118 T 4.3144 7.2017 115.4368 60.0663 71.7428 173.7242 119 P 4.1052 0.0000 0.0000 65.8323 31.2766 178.7512 120 A 3.9197 7.8441 118.7421 55.1996 18.3179 179.7221 121 V 3.4829 7.4960 116.4580 66.2422 31.5958 177.6638 122 H 3.7169 8.0563 118.0047 58.9866 29.5688 177.0955 123 A 3.9204 8.1123 122.8374 55.2750 18.2274 179.7878 124 S 4.1896 8.1421 113.6321 61.8680 62.8469 176.9727 125 L 4.2014 8.1919 121.7601 57.8162 41.3468 179.2003 126 D 4.4021 8.2350 118.0422 57.3581 41.1716 178.4830 127 K 4.0465 8.1623 119.1302 59.2010 31.9284 179.1689 128 F 4.2192 8.6480 121.3126 61.4766 39.3183 177.1924 129 L 3.6593 8.3497 118.5833 57.6236 41.3142 179.4857 130 A 3.9329 8.0132 120.7620 55.2113 18.4295 179.8953 131 S 3.9766 8.1158 113.8736 61.5965 62.9014 177.1192 132 V 3.3598 7.7326 121.3108 65.9829 31.0917 178.2645 133 S 3.7703 8.0889 115.0888 61.7082 62.3906 176.7466 134 T 3.6913 7.5988 117.4883 66.5940 68.5442 176.4926 135 V 3.6249 7.4616 119.7021 65.9262 31.3933 177.8662 136 L 4.0555 7.4492 116.5483 56.4028 41.5653 177.9858 137 T 4.2369 6.7990 111.5465 61.7252 67.8719 175.4944 138 S 4.1967 7.6436 115.4237 61.1764 64.0093 174.7737 139 K 4.4987 7.8548 124.6991 56.7663 32.0349 177.7768 *140 Y 4.3034 7.8525 116.1862 57.7830 37.4633 178.1324 141 R 4.2308 7.4822 119.6697 57.9321 29.7991 174.3310 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 V 8.05 4.06 2.08 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 0.99 0.00 0.00 0.93 0.00 0.00 2 L 8.22 4.15 0.00 1.78 1.60 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.18 4.77 0.00 4.07 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 4 P 0.00 4.22 0.00 2.17 2.15 0.00 3.59 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 2.11 2.16 0.00 5 A 7.90 3.99 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 0.00 0.00 6 D 8.19 4.61 0.00 2.94 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 7 K 8.04 3.91 0.00 1.97 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.66 7.81 8 T 7.79 3.84 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 1.20 0.00 0.00 9 N 8.21 4.34 0.00 2.90 2.84 0.00 0.00 6.68 7.30 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 10 V 7.85 3.49 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 0.00 0.00 0.82 0.00 0.00 11 K 8.25 3.96 0.00 1.81 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.65 7.81 12 A 8.08 3.96 1.33 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 13 A 8.12 3.96 1.50 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 0.00 0.00 14 W 8.75 4.09 0.00 3.53 3.14 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 0.00 0.00 0.00 0.00 15 G 7.99 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 16 K 7.86 4.14 0.00 1.92 1.89 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.78 7.81 17 V 7.52 3.61 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 0.29 0.00 0.00 0.67 0.00 0.00 18 G 7.99 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 0.00 0.00 0.00 19 A 8.42 3.87 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 20 H 7.37 4.01 0.00 2.60 2.26 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.23 3.72 1.26 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 22 G 8.05 3.74 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 0.00 0.00 0.00 23 E 7.94 4.02 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 24 Y 8.02 4.43 0.00 3.05 2.81 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 25 G 8.78 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 26 A 8.12 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 3.87 0.00 2.22 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 0.00 2.30 2.35 0.00 28 A 8.22 3.97 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 29 L 7.74 3.51 0.00 1.83 1.42 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.03 3.99 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 2.37 2.46 0.00 31 R 8.29 3.86 0.00 1.98 1.93 0.00 3.13 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 32 M 8.12 4.09 0.00 1.76 2.02 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 2.71 2.61 0.00 33 F 7.83 4.58 0.00 3.20 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 34 L 7.82 4.14 0.00 1.61 1.68 0.92 1.00 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 35 S 8.18 4.11 0.00 3.22 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 36 F 8.31 5.00 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.64 0.00 2.21 2.16 0.00 3.97 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 38 T 8.14 4.06 4.31 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 1.28 0.00 0.00 39 T 8.47 4.31 4.55 0.00 0.00 0.00 0.00 0.00 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 40 K 8.40 4.17 0.00 1.94 1.81 0.00 1.54 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.21 1.67 7.81 41 T 7.68 3.84 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 1.19 0.00 0.00 42 Y 7.77 4.21 0.00 2.89 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 43 F 8.37 4.83 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.36 0.00 2.20 2.18 0.00 3.89 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 2.02 1.93 0.00 45 H 8.49 4.74 0.00 3.40 3.49 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.87 4.87 0.00 3.03 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.00 4.64 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 48 L 8.29 4.66 0.00 1.50 1.35 0.40 0.50 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 49 S 8.08 4.30 0.00 4.03 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 0.00 50 H 8.60 4.34 0.00 3.11 3.30 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.80 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 52 S 7.88 4.02 0.00 4.06 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 53 A 8.54 4.01 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 54 Q 7.87 3.78 0.00 1.91 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.87 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 55 V 7.91 3.80 2.28 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 1.22 0.00 0.00 1.15 0.00 0.00 56 K 8.31 4.04 0.00 1.95 1.86 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.61 7.81 57 G 8.66 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 0.00 0.00 0.00 58 H 8.50 4.74 0.00 3.79 3.59 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.47 3.74 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 0.00 0.00 0.00 60 K 7.88 4.04 0.00 1.86 2.01 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 61 K 7.69 4.01 0.00 2.12 1.90 0.00 1.89 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.52 7.81 62 V 7.92 3.62 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 1.06 0.00 0.00 0.95 0.00 0.00 63 A 8.26 4.26 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.58 4.42 0.00 2.88 2.79 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 65 A 8.11 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.99 3.82 0.00 1.81 1.18 1.03 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.11 3.72 4.56 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 N 8.47 4.30 0.00 2.85 2.98 0.00 0.00 7.14 8.51 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 69 A 7.96 4.03 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 70 V 7.78 3.54 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 0.72 0.00 0.00 0.29 0.00 0.00 71 A 7.97 4.10 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 72 H 7.99 5.03 0.00 3.20 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.93 3.85 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 0.72 0.00 0.00 0.94 0.00 0.00 74 D 7.99 4.70 0.00 2.70 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 75 D 8.36 4.81 0.00 2.65 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 76 M 8.36 4.07 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.66 0.00 77 P 0.00 4.25 0.00 1.99 2.09 0.00 3.58 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 2.14 0.00 78 N 8.01 4.63 0.00 3.03 2.82 0.00 0.00 7.06 7.54 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 79 A 7.97 4.04 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 80 L 8.09 4.53 0.00 1.70 1.62 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.72 4.02 0.00 4.06 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 82 A 7.92 4.05 1.34 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 0.00 0.00 0.00 83 L 7.88 4.06 0.00 1.84 1.75 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.38 4.02 0.00 3.91 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 85 D 7.92 4.25 0.00 2.92 2.73 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 86 L 7.88 3.94 0.00 1.94 1.86 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.55 4.08 0.00 3.51 3.54 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.95 4.17 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 89 H 8.24 4.81 0.00 3.29 3.31 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.11 4.30 0.00 1.72 1.96 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.44 7.81 91 L 8.22 4.17 0.00 1.72 1.63 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.87 3.75 0.00 1.98 2.01 0.00 3.23 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 93 V 7.80 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 0.12 0.00 0.00 0.52 0.00 0.00 94 D 8.77 4.50 0.00 2.88 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.24 2.09 0.00 3.70 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 2.12 2.12 0.00 96 V 8.13 3.70 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 0.82 0.00 0.00 0.99 0.00 0.00 97 N 8.27 4.27 0.00 2.63 2.67 0.00 0.00 6.93 8.27 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 98 F 8.29 3.93 0.00 3.30 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 99 K 7.94 4.10 0.00 1.92 1.82 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 100 L 7.51 3.70 0.00 1.58 1.11 0.62 -0.26 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 0.00 101 L 7.73 3.93 0.00 1.64 1.57 0.84 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 0.00 102 S 8.55 4.16 0.00 4.07 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 0.00 103 H 8.55 4.27 0.00 3.27 3.60 0.00 5.78 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 0.00 104 C 8.36 4.14 0.00 3.17 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 0.00 105 L 8.18 4.03 0.00 1.94 1.85 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.06 4.04 0.00 1.94 1.82 1.11 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 0.00 107 V 7.83 3.39 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 0.92 0.00 0.00 0.74 0.00 0.00 108 T 7.80 3.71 4.30 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 1.01 0.00 0.00 109 L 8.02 3.71 0.00 1.56 1.72 1.21 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.16 3.01 0.50 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 0.00 0.00 111 A 7.46 3.92 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 0.00 112 H 7.56 4.46 0.00 2.56 3.21 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.78 4.81 0.00 1.94 1.65 0.97 0.86 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 0.00 114 P 0.00 4.22 0.00 2.18 2.19 0.00 3.81 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 1.99 1.95 0.00 115 A 7.92 4.19 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 0.00 116 E 8.17 4.18 0.00 2.08 2.08 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 2.35 2.28 0.00 117 F 8.02 4.31 0.00 3.16 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 0.00 118 T 7.20 4.31 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 1.26 0.00 0.00 119 P 0.00 4.11 0.00 2.14 2.12 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 120 A 7.84 3.92 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 0.00 121 V 7.50 3.48 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 1.08 0.00 0.00 0.94 0.00 0.00 122 H 8.06 3.72 0.00 2.24 3.18 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.11 3.92 1.34 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 0.00 0.00 0.00 124 S 8.14 4.19 0.00 4.01 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 0.00 125 L 8.19 4.20 0.00 1.87 1.93 1.17 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 0.00 126 D 8.23 4.40 0.00 2.93 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 0.00 127 K 8.16 4.05 0.00 2.05 1.88 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.64 7.81 128 F 8.65 4.22 0.00 3.00 3.28 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 0.00 129 L 8.35 3.66 0.00 1.76 1.70 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.01 3.93 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 0.00 131 S 8.12 3.98 0.00 3.93 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 0.00 132 V 7.73 3.36 1.80 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 0.84 0.00 0.00 0.24 0.00 0.00 133 S 8.09 3.77 0.00 3.91 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 0.00 134 T 7.60 3.69 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 1.12 0.00 0.00 135 V 7.46 3.62 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 0.95 0.00 0.00 0.92 0.00 0.00 136 L 7.45 4.06 0.00 1.18 1.50 0.88 0.76 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 0.00 137 T 6.80 4.24 3.74 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 1.06 0.00 0.00 138 S 7.64 4.20 0.00 4.04 4.04 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 0.00 139 K 7.85 4.50 0.00 1.67 1.94 0.00 1.63 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.36 7.81 *140 Y 7.85 4.30 0.00 2.33 2.20 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 0.00 141 R 7.48 4.23 0.00 1.93 1.86 0.00 3.07 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.