NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4504 8.1927 115.2990 58.1238 63.6747 174.3828 3 Q 3.8888 8.6217 128.1993 56.7606 28.9773 176.2373 4 S 4.3348 8.8054 116.1123 60.9034 64.1261 175.5206 5 N 4.6328 7.9446 118.9265 56.0571 38.1271 177.2966 6 R 3.9927 7.9090 120.3976 59.3636 30.1826 178.2303 7 E 3.9227 8.1904 119.1540 59.3383 29.6865 178.7990 8 L 3.9681 8.4751 119.4368 57.6907 41.6012 179.6686 9 V 4.0065 8.1962 118.3989 66.0273 31.4805 178.3145 10 V 3.7905 7.7042 118.1190 65.7434 31.4303 177.3119 11 D 4.3151 8.0689 117.8658 57.4865 41.0374 178.2351 12 F 4.1201 8.3999 120.8505 61.4097 39.4886 177.1429 13 L 4.1780 8.5396 118.9919 57.8471 41.3996 179.6782 14 S 4.4646 8.9994 114.7866 61.5519 63.0003 175.9507 15 Y 4.1110 8.1601 123.3537 60.3493 38.3518 178.1353 16 K 3.6601 7.9485 119.5340 59.1074 32.1266 179.1367 17 L 4.0117 7.9373 119.2546 57.9670 41.5429 179.4152 18 S 4.2627 8.2940 114.4360 61.0311 62.1292 175.8143 19 Q 3.5206 7.5157 120.4851 58.9449 28.6452 177.8562 20 K 4.2785 7.5465 116.3325 55.8161 32.2887 177.2008 21 G 3.6235 8.5908 108.2004 46.0690 0.0000 172.7679 22 Y 4.9725 7.8430 117.8772 55.7898 40.8332 174.3730 23 S 4.6835 8.2008 113.9106 56.5127 66.3010 174.0615 24 W 3.9652 9.0410 130.0051 59.9263 30.7036 175.5647 25 S 4.7635 8.3648 112.9485 55.7629 64.3884 174.6927 26 Q 4.0326 8.3430 123.5889 58.2439 28.1487 176.8212 27 F 5.1026 7.2598 113.9234 56.7097 38.3191 175.5721 28 S 4.4743 8.3725 116.1216 60.2111 63.4405 174.4126 29 D 4.4170 7.9098 121.2321 54.5380 38.8148 175.4504 *73 S 4.2005 7.9918 117.5087 57.2365 63.8762 173.4268 74 S 3.4828 8.0385 110.9536 59.4581 62.1298 175.0966 75 L 5.2373 7.3363 119.5480 53.1192 43.4159 172.7237 76 D 4.6785 8.2683 119.8566 54.0034 42.2009 176.5143 77 A 4.6263 7.6306 122.0458 50.2521 20.4758 176.4007 78 R 4.2143 7.7415 120.1138 57.8666 34.7873 173.3308 79 E 5.9800 7.9436 131.5471 57.5829 31.0738 176.3774 80 V 4.5226 7.4902 116.5342 59.4896 35.7027 175.2302 81 I 3.8627 8.2245 120.5106 62.7836 38.1139 173.3984 82 P 5.0479 0.0000 0.0000 60.5263 34.2538 175.3639 83 M 3.9850 8.6273 119.5842 58.8647 32.2082 178.5657 84 A 3.9162 7.9397 120.0740 54.7287 18.6960 179.1941 85 A 4.0187 7.6614 118.2904 54.8784 18.4674 180.0403 86 V 3.6050 7.6115 116.4866 66.1273 31.6751 178.2870 87 K 3.8059 8.1399 118.4994 59.2629 31.8537 179.1965 88 Q 3.7735 7.8742 119.3199 59.1861 28.9755 178.0909 89 A 4.0426 7.8539 121.3586 54.9982 18.3753 179.4041 90 L 4.0502 8.4191 119.1362 58.3526 42.1912 178.9841 91 R 3.9778 7.9048 118.1383 59.7464 29.9383 178.8164 92 E 4.0688 8.3587 117.5174 59.4654 29.4523 179.3510 93 A 4.3905 8.6466 121.3378 55.2216 18.4995 179.9509 94 G 4.0279 9.0514 104.7847 48.1160 0.0000 175.8076 95 D 4.5577 8.6172 121.2487 57.2924 41.0476 178.4982 96 E 4.0435 8.7127 119.4706 59.5496 29.6635 179.1017 97 F 4.1498 8.9150 120.9280 61.5689 39.2754 176.8578 98 E 4.1879 8.4336 117.5141 59.3179 29.5676 178.3572 99 L 4.1032 8.1441 118.4477 57.5330 41.6916 178.8805 100 R 4.0062 7.4770 117.0790 57.0225 30.4636 176.0644 101 Y 4.5531 7.0814 115.9501 55.1154 37.7523 175.8269 102 R 4.0956 8.2121 121.8817 59.3656 31.0993 178.5135 103 R 3.9166 8.1295 113.3111 58.8824 29.6370 176.0824 104 A 3.7097 6.6477 121.9345 52.8915 18.6593 177.3340 105 F 4.5008 8.9395 118.9734 58.1623 37.8728 177.2890 106 S 4.2987 7.7304 115.9414 61.8004 62.3807 176.3956 107 D 4.3567 8.0905 120.7085 57.3932 40.7046 178.6149 108 L 3.9669 7.8878 119.0471 58.0971 41.6217 179.6577 109 T 4.1392 10.3480 109.2779 65.1101 68.6066 176.7809 110 S 4.1922 8.0865 116.7568 60.8330 62.8169 176.0214 111 Q 4.1385 7.6311 122.0943 58.7297 28.8763 177.2996 112 L 4.0356 8.1080 120.8347 56.8670 43.6140 176.6344 113 H 3.9889 8.2395 115.1823 57.0825 28.2194 173.5533 114 I 3.8902 7.3683 121.7677 60.9974 39.1651 174.5676 115 T 4.7333 8.9880 116.7323 58.9479 71.8479 172.7372 116 P 4.3207 0.0000 0.0000 65.0573 31.2358 178.0244 117 G 3.8231 8.0594 106.0743 47.1584 0.0000 174.4544 118 T 4.0447 7.8360 117.1495 63.3615 68.7755 173.9539 119 A 4.7415 8.0679 127.5123 50.3770 21.8229 177.0795 120 Y 2.7444 8.3956 119.8376 60.7389 38.5643 178.4869 121 Q 3.7375 8.0311 118.1992 59.4056 28.9164 179.9239 122 S 4.0238 7.4647 115.0316 61.2816 62.8010 176.4516 123 F 4.0647 7.5730 122.8471 61.3546 39.1638 176.4542 124 E 3.8910 7.9988 119.2255 59.3535 29.0201 178.6980 125 Q 3.8588 7.7293 118.6275 59.0409 29.3968 177.9679 126 V 3.5857 7.4411 118.8220 65.9897 31.6309 178.2249 127 V 3.1404 7.4750 118.0058 65.7740 30.7245 177.4076 128 N 4.5008 8.1050 117.6298 55.8700 38.3451 177.1124 129 E 3.9229 7.9263 119.4167 59.2479 29.3037 179.1213 130 L 3.7733 7.2178 117.6372 56.9780 41.7436 178.5100 131 F 4.7268 7.2999 116.0014 57.0420 39.4547 178.1142 132 R 3.8947 7.6595 118.4614 59.5196 29.2010 177.1712 133 D 4.5290 7.9325 115.5964 54.0215 40.6553 175.9308 134 G 3.7874 8.0025 106.0602 44.8382 0.0000 173.1682 135 V 4.1120 7.3337 117.7358 61.2460 33.0851 174.1801 136 N 4.2192 7.3358 121.0061 50.6994 39.9041 174.9881 137 W 4.7184 8.9413 117.2659 59.5738 29.1418 179.0147 138 G 3.9469 8.6328 105.4396 47.9446 0.0000 175.4309 139 A 3.8801 8.0472 122.7976 54.8465 18.4538 179.6133 140 I 4.0447 7.8426 117.9711 64.7191 37.1988 178.8883 141 V 3.6949 8.1966 118.9778 65.8304 31.2734 178.0168 142 A 3.0765 8.1285 120.7586 54.4328 18.2132 179.2184 143 F 3.9480 8.4234 119.6675 61.6278 39.4285 177.3071 144 F 3.4428 8.1173 117.0597 60.5861 38.5383 177.9285 145 S 4.5414 8.1241 114.6919 61.3980 62.5210 176.4227 146 F 3.6057 8.0983 123.7206 60.9852 39.0484 177.2192 147 G 3.5168 7.6729 105.0852 47.7408 0.0000 175.3026 148 G 4.0558 8.6016 109.1097 47.8150 0.0000 175.5083 149 A 4.1077 8.3215 123.7408 54.5840 18.3268 179.7384 150 L 3.8349 7.8846 117.7495 57.8817 41.5764 179.2417 151 C 3.8203 7.9250 116.7290 62.7452 28.0025 176.0676 152 V 3.4374 7.7981 119.3877 66.1647 31.0902 177.4767 153 E 3.8590 8.0339 118.7394 59.5856 29.3746 178.9296 154 S 3.9615 8.0631 115.0261 61.5883 62.8027 176.9267 155 V 3.2330 7.4494 120.6892 65.8580 30.9212 177.3945 156 D 4.2887 7.5950 116.7075 57.0601 41.0607 177.5256 157 K 4.3062 7.7028 115.9763 55.7585 32.2775 176.3676 158 E 3.7596 8.3393 117.8484 58.0711 27.3150 174.4097 159 M 4.7597 8.0742 114.4244 53.5489 33.1553 177.2842 160 Q 3.7336 8.0455 120.8783 59.1598 28.2119 177.5228 161 V 3.5662 7.5577 119.1815 64.2762 31.3364 177.9016 162 L 3.9169 7.8098 119.8241 56.7503 41.3411 178.9597 163 V 3.0499 6.9880 118.4700 66.2726 31.2806 178.3683 164 S 4.0463 7.4444 113.8073 61.2261 62.6656 176.8260 165 R 3.1715 6.8770 121.2438 58.9439 29.6960 178.7881 166 I 2.9616 7.0181 119.4607 64.1982 37.0338 178.2587 167 A 3.9875 7.7672 121.4010 55.1785 18.2237 179.6370 168 S 4.0327 7.8226 111.4828 61.3954 62.4851 176.2134 169 W 4.6559 8.3177 121.9619 60.2975 28.7394 178.4086 170 M 4.6188 8.6250 118.6205 58.6742 31.4521 178.6915 171 A 4.2808 8.4087 120.9601 55.5165 18.4408 179.9301 172 T 3.8655 8.2013 114.3462 66.7979 68.1835 176.3288 173 Y 4.1116 9.1586 121.8923 60.7283 38.8911 177.9550 174 L 4.0498 8.7744 121.5072 58.4640 42.0403 178.7793 175 N 4.4623 8.0348 115.0033 56.3468 38.5371 176.9705 176 D 4.3574 8.1549 119.5500 57.1341 41.0708 177.6503 177 H 4.3812 8.0971 114.9567 56.8020 29.9106 176.5084 178 L 4.3209 7.4242 119.0082 55.5743 42.9974 178.3135 179 E 4.0039 8.5102 119.2146 59.2603 29.3519 177.6507 180 P 4.2317 0.0000 0.0000 65.1231 31.3566 178.2894 181 W 3.9522 8.0955 126.6621 60.6127 30.5366 177.7446 182 I 3.3282 7.8791 119.5266 64.5744 36.2893 178.5209 183 Q 3.9703 7.8525 117.8869 58.7607 28.6206 178.2212 184 E 4.0380 7.5986 117.9156 58.5010 29.7100 177.5799 185 N 4.4800 6.9864 116.1255 53.2125 39.3761 175.9294 186 G 4.4774 8.0031 108.1997 45.2163 0.0000 176.0145 187 G 4.0030 8.3188 109.4840 44.8937 0.0000 174.1371 188 W 4.3546 8.7815 117.2462 59.4881 28.5826 177.9141 189 D 4.5430 8.5252 118.9655 56.8323 38.4400 178.7816 190 T 4.1014 7.8949 116.5350 65.9628 68.7492 176.6614 191 F 3.2669 7.5224 122.1010 60.9488 39.2043 177.0430 192 V 3.4764 7.9001 117.8225 66.2419 31.0913 177.7496 193 D 3.9063 7.4809 115.8486 56.5545 40.6776 177.9624 194 L 4.2596 7.5289 118.5594 55.8692 42.2097 176.9401 195 Y 4.4861 7.8251 113.2084 57.2202 39.0119 175.8974 196 G 3.6880 8.6688 115.9683 45.8128 0.0000 173.8089 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 S 8.19 4.45 0.00 3.94 3.90 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 3 Q 8.62 3.89 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 4 S 8.81 4.33 0.00 4.08 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 5 N 7.94 4.63 0.00 3.01 3.16 0.00 0.00 6.59 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 6 R 7.91 3.99 0.00 2.02 2.18 0.00 3.13 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 7 E 8.19 3.92 0.00 2.31 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 0.00 2.26 2.31 0.00 8 L 8.48 3.97 0.00 1.85 1.50 -0.07 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.20 4.01 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 1.15 0.00 0.00 1.17 0.00 0.00 10 V 7.70 3.79 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 0.34 0.00 0.00 0.89 0.00 0.00 11 D 8.07 4.32 0.00 2.82 2.67 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 0.00 0.00 0.00 0.00 12 F 8.40 4.12 0.00 3.14 3.34 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 13 L 8.54 4.18 0.00 2.24 1.86 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.00 4.46 0.00 4.13 4.39 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 15 Y 8.16 4.11 0.00 3.02 3.09 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 0.00 0.00 0.00 16 K 7.95 3.66 0.00 1.70 1.76 0.00 1.79 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.90 1.21 7.81 17 L 7.94 4.01 0.00 1.99 1.80 0.82 0.58 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 18 S 8.29 4.26 0.00 3.91 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 19 Q 7.52 3.52 0.00 1.64 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.19 0.00 20 K 7.55 4.28 0.00 1.74 1.73 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.63 7.81 21 G 8.59 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 22 Y 7.84 4.97 0.00 3.10 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.68 0.00 4.00 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 24 W 9.04 3.97 0.00 3.49 3.18 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 0.00 0.00 0.00 0.00 25 S 8.36 4.76 0.00 4.01 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 26 Q 8.34 4.03 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.30 0.00 0.00 0.00 0.00 0.00 1.16 1.49 0.00 27 F 7.26 5.10 0.00 2.99 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 28 S 8.37 4.47 0.00 4.08 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 29 D 7.91 4.42 0.00 2.72 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 *73 S 7.99 4.20 0.00 4.00 3.91 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 0.00 0.00 0.00 74 S 8.04 3.48 0.00 3.85 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 75 L 7.34 5.24 0.00 1.74 1.77 0.92 1.17 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 76 D 8.27 4.68 0.00 2.69 2.69 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 77 A 7.63 4.63 1.23 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 0.00 0.00 78 R 7.74 4.21 0.00 1.79 1.89 0.00 3.43 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 79 E 7.94 5.98 0.00 2.06 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 2.10 2.14 0.00 80 V 7.49 4.52 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 0.71 0.00 0.00 0.95 0.00 0.00 81 I 8.22 3.86 2.02 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 0.96 0.00 0.00 82 P 0.00 5.05 0.00 2.21 2.11 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 83 M 8.63 3.98 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.77 0.00 84 A 7.94 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 85 A 7.66 4.02 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 86 V 7.61 3.61 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 0.35 0.00 0.00 0.93 0.00 0.00 87 K 8.14 3.81 0.00 1.74 1.75 0.00 1.80 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.38 7.81 88 Q 7.87 3.77 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 89 A 7.85 4.04 1.44 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 0.00 0.00 90 L 8.42 4.05 0.00 1.63 1.74 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.90 3.98 0.00 1.98 1.56 0.00 2.82 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.61 0.00 92 E 8.36 4.07 0.00 2.11 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 2.36 2.56 0.00 93 A 8.65 4.39 1.63 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 0.00 0.00 94 G 9.05 4.03 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 0.00 0.00 0.00 95 D 8.62 4.56 0.00 3.08 2.88 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 96 E 8.71 4.04 0.00 2.34 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 0.00 2.61 2.58 0.00 97 F 8.92 4.15 0.00 3.50 3.59 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 98 E 8.43 4.19 0.00 2.46 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 0.00 2.44 2.54 0.00 99 L 8.14 4.10 0.00 1.82 1.72 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.48 4.01 0.00 1.54 1.69 0.00 2.90 0.00 0.00 2.85 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 101 Y 7.08 4.55 0.00 2.55 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 0.00 102 R 8.21 4.10 0.00 1.77 2.03 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 103 R 8.13 3.92 0.00 1.96 2.18 0.00 3.02 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 104 A 6.65 3.71 0.38 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 0.00 105 F 8.94 4.50 0.00 3.42 3.61 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 0.00 106 S 7.73 4.30 0.00 4.04 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 0.00 107 D 8.09 4.36 0.00 2.73 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 0.00 108 L 7.89 3.97 0.00 1.87 1.55 0.76 0.43 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 0.00 109 T 10.35 4.14 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 1.60 0.00 0.00 110 S 8.09 4.19 0.00 3.99 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 0.00 111 Q 7.63 4.14 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 112 L 8.11 4.04 0.00 2.02 1.78 1.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.24 3.99 0.00 3.39 3.38 0.00 5.81 0.00 0.00 0.00 0.00 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.37 3.89 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.88 0.00 0.00 115 T 8.99 4.73 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 1.20 0.00 0.00 116 P 0.00 4.32 0.00 2.05 2.15 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 117 G 8.06 3.82 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 0.00 0.00 0.00 118 T 7.84 4.04 4.54 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 1.17 0.00 0.00 119 A 8.07 4.74 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.40 2.74 0.00 2.69 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 0.00 121 Q 8.03 3.74 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 122 S 7.46 4.02 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 0.00 123 F 7.57 4.06 0.00 2.70 2.56 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 0.00 124 E 8.00 3.89 0.00 1.16 1.76 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 2.28 2.34 0.00 125 Q 7.73 3.86 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 126 V 7.44 3.59 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 0.88 0.00 0.00 0.97 0.00 0.00 127 V 7.48 3.14 1.18 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 0.08 0.00 0.00 0.05 0.00 0.00 128 N 8.10 4.50 0.00 2.97 2.88 0.00 0.00 6.68 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 0.00 129 E 7.93 3.92 0.00 1.95 1.88 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 2.43 2.41 0.00 130 L 7.22 3.77 0.00 0.98 0.97 0.45 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.30 4.73 0.00 2.98 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 0.00 132 R 7.66 3.89 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 133 D 7.93 4.53 0.00 2.66 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 0.00 134 G 8.00 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 0.00 135 V 7.33 4.11 0.67 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 -0.60 0.00 0.00 0.40 0.00 0.00 136 N 7.34 4.22 0.00 2.96 2.88 0.00 0.00 6.19 8.88 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 0.00 137 W 8.94 4.72 0.00 3.90 3.63 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 0.00 138 G 8.63 3.95 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 0.00 0.00 0.00 139 A 8.05 3.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.84 4.04 2.26 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.86 1.37 0.00 0.00 141 V 8.20 3.69 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 1.14 0.00 0.00 1.03 0.00 0.00 142 A 8.13 3.08 1.25 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 0.00 143 F 8.42 3.95 0.00 2.94 3.37 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 0.00 144 F 8.12 3.44 0.00 2.60 1.64 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 0.00 145 S 8.12 4.54 0.00 3.85 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 0.00 146 F 8.10 3.61 0.00 2.04 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 0.00 147 G 7.67 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.60 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 0.00 0.00 0.00 149 A 8.32 4.11 1.59 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 0.00 0.00 150 L 7.88 3.83 0.00 1.65 1.50 0.58 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 151 C 7.93 3.82 0.00 3.14 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 0.00 152 V 7.80 3.44 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 1.22 0.00 0.00 1.03 0.00 0.00 153 E 8.03 3.86 0.00 2.14 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 0.00 2.28 2.36 0.00 154 S 8.06 3.96 0.00 3.85 3.90 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 0.00 155 V 7.45 3.23 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 0.32 0.00 0.00 0.62 0.00 0.00 156 D 7.59 4.29 0.00 2.86 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 0.00 157 K 7.70 4.31 0.00 1.74 1.76 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.53 7.81 158 E 8.34 3.76 0.00 2.06 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 0.00 2.17 2.38 0.00 159 M 8.07 4.76 0.00 1.86 1.85 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 2.43 2.36 0.00 160 Q 8.05 3.73 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 161 V 7.56 3.57 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 0.73 0.00 0.00 0.83 0.00 0.00 162 L 7.81 3.92 0.00 1.60 1.49 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 163 V 6.99 3.05 1.51 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 -0.52 0.00 0.00 0.52 0.00 0.00 164 S 7.44 4.05 0.00 3.77 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 0.00 165 R 6.88 3.17 0.00 1.38 0.66 0.00 2.93 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.49 0.00 166 I 7.02 2.96 1.49 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.06 0.68 0.00 0.00 167 A 7.77 3.99 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 0.00 168 S 7.82 4.03 0.00 3.90 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 0.00 169 W 8.32 4.66 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 0.00 170 M 8.62 4.62 0.00 2.00 2.34 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.48 0.00 171 A 8.41 4.28 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 0.00 172 T 8.20 3.87 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 0.84 0.00 0.00 173 Y 9.16 4.11 0.00 3.73 3.47 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 0.00 174 L 8.77 4.05 0.00 2.24 1.98 1.27 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.03 4.46 0.00 2.89 2.89 0.00 0.00 7.15 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 0.00 176 D 8.15 4.36 0.00 2.46 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 0.00 0.00 0.00 0.00 177 H 8.10 4.38 0.00 2.39 2.83 0.00 5.62 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.42 4.32 0.00 1.68 1.48 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 179 E 8.51 4.00 0.00 2.23 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 0.00 2.47 2.61 0.00 180 P 0.00 4.23 0.00 2.13 2.07 0.00 3.51 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 181 W 8.10 3.95 0.00 3.20 3.11 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 0.00 182 I 7.88 3.33 1.92 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 1.16 0.51 0.62 0.00 0.00 183 Q 7.85 3.97 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 184 E 7.60 4.04 0.00 1.93 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 1.99 2.02 0.00 185 N 6.99 4.48 0.00 1.44 1.96 0.00 0.00 7.25 7.25 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 0.00 186 G 8.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.32 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 0.00 0.00 0.00 188 W 8.78 4.35 0.00 3.48 3.22 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 0.00 0.00 0.00 0.00 189 D 8.53 4.54 0.00 2.95 3.02 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 0.00 190 T 7.89 4.10 4.61 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 1.47 0.00 0.00 191 F 7.52 3.27 0.00 1.51 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 0.00 192 V 7.90 3.48 2.27 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 0.97 0.00 0.00 1.09 0.00 0.00 193 D 7.48 3.91 0.00 2.82 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 0.00 194 L 7.53 4.26 0.00 1.72 1.46 1.15 0.79 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 0.00 195 Y 7.83 4.49 0.00 1.80 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 0.00 196 G 8.67 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 * Residues marked with a * may have inaccurate shift predictions.