NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 92 Y 5.1050 8.0033 118.3114 57.9352 40.1973 173.7264 93 K 4.7759 10.0149 125.6331 54.8578 33.0686 170.4304 94 V 4.5796 8.9747 126.7140 61.0308 34.0817 173.8070 95 L 5.2148 8.2083 129.9609 53.3438 44.4730 174.7187 96 L 5.0992 8.6058 126.5219 53.6019 42.8348 176.0230 97 L 4.4570 10.5607 124.0332 52.1231 45.2304 175.9852 98 G 4.5955 8.4290 109.4912 44.0812 0.0000 172.4786 99 A 4.3346 7.9840 123.1984 51.1276 19.0763 175.7113 100 P 4.4727 0.0000 0.0000 63.9840 31.8563 177.5634 101 G 4.0202 8.9161 109.1782 45.8924 0.0000 174.7182 102 V 3.8028 7.2816 111.1998 61.9158 32.1331 176.9329 103 G 4.2796 8.5431 109.4444 45.6445 0.0000 175.8539 104 K 4.0023 8.6265 121.1060 59.5945 31.9781 179.2849 105 S 4.5292 8.4167 115.8822 61.0090 62.9395 176.4541 106 A 3.9957 8.0012 123.0646 55.1459 18.2139 179.5772 107 L 4.0076 8.1643 117.3046 57.7292 41.6320 179.4969 108 A 4.0395 8.1573 120.7246 55.3668 18.4211 179.8784 109 R 3.1379 8.0775 116.6778 59.2009 30.2209 179.3867 110 I 3.6623 7.5561 119.1600 64.3122 36.8859 178.2200 111 F 4.1662 7.9779 120.4422 61.1878 39.2486 177.0955 112 G 3.2318 7.5663 103.7547 45.4407 0.0000 174.5422 113 G 3.7395 7.3023 108.2778 45.4262 0.0000 173.2337 114 V 3.9247 7.3009 119.5902 62.0184 31.9209 175.5871 115 E 4.2704 8.5835 126.6703 57.2328 29.6960 175.5993 *125 H 4.5469 8.0129 118.2820 56.2845 31.3428 171.9012 126 T 5.0090 8.0358 113.2460 60.1134 72.0791 172.5387 127 Y 4.6841 9.2497 124.0234 57.0283 41.3854 174.6010 128 D 5.4681 8.7228 125.3005 52.4124 41.6954 172.2467 129 R 4.5678 9.3677 122.7581 54.4312 34.1988 173.4849 130 S 5.3573 8.5991 120.8766 56.8351 64.7848 173.4866 131 I 4.6413 9.0155 118.6188 59.1074 40.8501 175.0109 132 V 4.4568 8.4137 117.7029 60.1352 32.6920 175.7149 133 V 4.1423 8.6950 126.8368 61.7495 33.1125 175.2129 134 D 4.4704 9.3234 129.1463 55.9590 37.6012 174.2036 135 G 4.0328 8.2097 101.3669 46.1354 0.0000 172.1112 136 E 4.7417 7.6774 118.7211 53.9528 32.5875 175.3083 137 E 4.5372 8.9297 125.1998 56.3009 30.9432 175.6130 138 A 4.6890 8.9423 128.4458 51.2477 23.2748 175.8862 139 S 5.1486 8.6155 120.2936 57.1804 64.3619 171.6545 140 L 4.9075 9.4929 126.9887 52.7858 44.0905 175.9566 141 M 5.0290 9.2428 123.4701 53.7570 33.8724 173.4424 142 V 4.6632 9.1670 126.3951 62.2402 33.4107 173.9196 143 Y 4.7846 9.5502 126.7497 56.1369 39.5477 175.5965 144 D 5.3790 9.1256 127.9718 53.0520 39.7847 176.4400 145 I 4.5957 7.7239 108.7345 59.7023 39.1648 175.9718 146 W 4.1651 8.4398 131.4158 58.5950 30.7055 174.6657 *161 M 4.4456 8.7418 125.3391 55.4601 33.2411 176.0653 162 G 3.4189 7.2783 104.4946 45.6629 0.0000 172.9363 163 D 4.7498 8.5183 119.1907 54.5899 41.7264 176.3660 164 A 4.6312 6.9021 118.3843 51.2815 22.8163 174.6823 165 Y 4.9447 8.6453 116.6173 56.1635 42.4322 174.8718 166 V 4.6373 9.1095 124.3376 61.3675 33.6433 174.4142 167 I 4.6018 8.5072 130.4953 60.2978 38.6933 175.1511 168 V 4.9471 9.1603 128.2086 61.2599 34.0803 174.0303 169 Y 5.1722 8.8125 124.6090 55.4669 42.4005 173.5121 170 S 5.1149 9.0709 114.9202 56.7002 64.0846 175.4935 171 V 3.9866 8.9296 120.6260 63.6731 31.4863 177.4445 172 T 4.6724 7.6581 108.1552 60.6642 69.2802 174.5301 173 D 4.7642 8.1448 122.2825 51.4696 42.3158 175.2792 174 K 4.0943 9.6741 129.0321 59.2917 32.1448 178.4904 175 G 3.7310 8.1869 106.0929 48.2323 0.0000 175.8726 176 S 4.3038 8.4357 116.1477 60.8698 63.0415 176.4347 177 F 3.9516 8.1316 124.2153 61.1709 38.6637 176.8052 178 E 3.8697 8.3206 118.3280 59.2084 29.1786 179.2506 179 K 3.9841 8.2322 119.4994 59.3257 32.2143 178.6827 180 A 4.0488 7.8445 121.2032 55.2576 18.2381 179.8356 181 S 4.3236 7.5904 112.3622 61.5078 62.8198 176.4182 182 E 3.8664 7.9186 121.6320 59.2603 29.3775 178.8495 183 L 3.8478 8.1954 119.3767 57.7761 41.6510 179.3653 184 R 3.5061 7.7569 118.5465 59.2793 29.7101 178.7777 185 V 3.4163 7.5572 117.8343 66.0687 31.6534 177.9441 186 Q 3.9306 8.0957 117.9211 58.9302 28.3080 178.7498 187 L 3.7082 7.8442 120.6803 58.0249 42.1323 178.7416 188 R 3.9172 7.4912 117.7234 59.3881 30.0880 178.3821 189 R 3.9770 8.1216 117.1614 58.5224 30.0288 178.3188 190 A 4.2427 7.4914 119.1963 52.8886 19.7075 177.7327 *196 V 3.8961 7.1289 114.8395 60.7653 32.6695 173.7348 197 P 4.4750 0.0000 0.0000 62.9819 31.1941 175.2804 198 I 5.2563 8.2790 122.2550 59.7111 41.7847 174.0761 199 I 4.7460 8.6806 126.3990 59.3903 40.6153 174.0734 200 L 5.2077 9.0139 129.1179 53.6661 44.0724 175.0885 201 V 4.6845 9.0026 126.2418 61.0131 34.6100 174.2350 202 G 3.3253 8.4779 115.8713 44.6428 0.0000 172.5277 203 N 5.1139 8.7232 125.7379 51.2687 42.0003 174.4141 204 K 4.2989 8.7422 116.5150 57.7797 28.7691 178.5175 205 S 4.3149 7.9715 114.6224 60.3314 63.1246 175.0109 206 D 4.4133 7.9797 121.0530 55.9488 40.3058 176.4834 207 L 4.5377 7.7283 122.5983 52.8881 40.1462 177.1260 208 V 3.5734 7.8426 123.2502 66.2691 31.8421 177.9116 209 R 4.2075 7.9265 114.9347 57.8013 30.3010 177.1146 210 S 4.6097 8.0232 113.6877 57.8324 63.4029 173.9209 211 R 4.1841 7.4694 120.8936 56.6923 30.1198 175.9057 212 E 4.5409 9.3476 123.6312 55.8307 31.9535 176.1756 213 V 4.2125 7.5985 118.2941 60.6918 33.5208 175.9021 214 S 4.4673 9.0330 122.9098 57.6141 65.3021 175.4700 215 V 3.8643 8.2186 121.6270 66.4576 31.1922 177.9220 216 D 4.3067 8.0013 118.1095 57.2783 40.6203 178.4571 217 E 3.9533 8.1268 119.4811 59.0488 29.3606 179.5803 218 G 3.0632 7.6265 105.4412 47.6443 0.0000 176.0720 219 R 3.5462 7.7156 120.8250 58.6210 29.9523 179.0620 220 A 3.8969 8.0453 120.8982 55.1483 18.2885 179.1833 221 C 3.5867 8.0471 117.0873 62.4375 31.4457 175.7614 222 A 3.8714 7.5558 122.3505 54.8050 17.9082 179.8498 223 V 3.4930 7.5711 117.0387 66.1628 31.4063 178.4443 224 V 3.6322 7.6169 116.9209 65.9494 31.5029 177.3943 225 F 4.5757 8.2771 114.9429 57.1987 40.0678 174.6393 226 D 4.3797 8.0034 118.1293 55.1327 39.6951 170.4580 227 C 4.9568 8.3423 112.7463 56.6033 33.9478 174.8793 228 K 4.3993 8.1701 119.1515 56.2496 33.1263 175.3974 229 F 5.5410 8.6125 126.7267 56.6029 42.4871 173.6877 230 I 4.1086 7.8428 124.4229 59.4222 41.7749 172.9349 231 E 4.9517 8.2275 127.6777 54.8584 30.9785 175.0962 232 T 4.8521 8.7627 113.4908 60.0735 73.2876 172.9226 233 S 4.6697 8.6760 115.9103 57.1059 65.0108 174.6010 234 A 3.8982 8.6783 131.0486 54.6693 18.6355 179.3889 235 A 4.0676 8.0099 118.3543 54.9562 18.5576 178.2355 236 L 4.3943 7.9595 112.6162 54.3479 42.3111 176.0928 237 H 3.9283 7.2468 113.7718 57.0879 26.9459 174.2175 238 H 4.7076 8.4115 118.5381 55.5759 31.4355 174.2307 239 N 4.0393 8.7282 121.7853 54.2105 36.2766 176.2029 240 V 3.7148 7.7429 122.4197 66.7264 31.5329 178.7106 241 Q 4.2528 8.1187 119.8790 60.1164 28.1053 179.9100 242 A 4.1614 8.0213 122.4452 54.8783 18.3633 179.0507 243 L 3.6547 7.8706 118.6635 58.6633 42.2110 179.5098 244 F 4.0124 7.7562 117.1585 60.2171 38.7653 177.7193 245 E 4.2069 8.6897 119.0909 59.2526 29.2428 179.4954 246 G 3.5612 8.4995 106.3662 47.5479 0.0000 175.9472 247 V 3.5097 7.6441 120.5827 65.7012 31.4984 178.2814 248 V 3.4743 7.6334 117.3525 66.1898 31.4227 177.9275 249 R 3.9285 8.0341 117.7216 59.5675 29.6909 179.0551 250 Q 3.9311 7.7862 116.3825 59.1730 28.8538 178.5368 251 I 3.6524 7.3723 119.2261 64.2875 37.2357 178.6179 252 R 4.0598 7.9307 118.8355 59.2001 29.9564 178.7800 253 L 4.1350 8.4228 119.4143 57.3012 41.8462 178.8767 254 R 4.3582 7.7325 125.7732 58.3928 29.7473 181.1997 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 92 Y 8.00 5.11 0.00 3.03 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 93 K 10.01 4.78 0.00 1.62 1.66 0.00 1.71 0.00 0.00 1.91 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.63 7.81 94 V 8.97 4.58 2.19 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 0.99 0.00 0.00 0.99 0.00 0.00 95 L 8.21 5.21 0.00 1.59 1.27 1.12 0.83 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 96 L 8.61 5.10 0.00 1.74 1.69 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 97 L 10.56 4.46 0.00 1.24 0.83 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 98 G 8.43 4.60 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 99 A 7.98 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 0.00 100 P 0.00 4.47 0.00 2.11 2.06 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 101 G 8.92 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 0.00 102 V 7.28 3.80 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 0.86 0.00 0.00 1.11 0.00 0.00 103 G 8.54 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 0.00 0.00 0.00 104 K 8.63 4.00 0.00 1.93 2.11 0.00 1.98 0.00 0.00 2.04 0.00 0.00 3.25 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.61 1.63 7.81 105 S 8.42 4.53 0.00 3.94 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 0.00 106 A 8.00 4.00 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 0.00 107 L 8.16 4.01 0.00 1.96 1.89 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.16 4.04 1.55 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 0.00 0.00 0.00 109 R 8.08 3.14 0.00 1.92 1.88 0.00 3.20 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 110 I 7.56 3.66 2.04 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.20 0.98 0.00 0.00 111 F 7.98 4.17 0.00 2.43 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 0.00 112 G 7.57 3.23 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 0.00 113 G 7.30 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 0.00 114 V 7.30 3.92 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 0.83 0.00 0.00 1.04 0.00 0.00 115 E 8.58 4.27 0.00 1.99 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 2.28 2.22 0.00 *125 H 8.01 4.55 0.00 3.27 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 8.04 5.01 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 1.04 0.00 0.00 127 Y 9.25 4.68 0.00 2.98 2.80 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 0.00 128 D 8.72 5.47 0.00 2.45 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 0.00 129 R 9.37 4.57 0.00 1.39 1.32 0.00 2.53 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 130 S 8.60 5.36 0.00 3.76 3.77 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 0.00 131 I 9.02 4.64 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.13 0.00 0.00 132 V 8.41 4.46 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 0.70 0.00 0.00 0.95 0.00 0.00 133 V 8.69 4.14 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 1.09 0.00 0.00 1.01 0.00 0.00 134 D 9.32 4.47 0.00 2.89 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 0.00 135 G 8.21 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 0.00 136 E 7.68 4.74 0.00 2.09 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 2.23 2.36 0.00 137 E 8.93 4.54 0.00 1.99 1.84 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 2.30 2.32 0.00 138 A 8.94 4.69 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 0.00 139 S 8.62 5.15 0.00 3.38 3.66 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 0.00 140 L 9.49 4.91 0.00 2.00 1.74 0.96 0.75 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 0.00 141 M 9.24 5.03 0.00 2.36 2.02 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 2.19 2.37 0.00 142 V 9.17 4.66 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 1.08 0.00 0.00 0.50 0.00 0.00 143 Y 9.55 4.78 0.00 2.91 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 0.00 144 D 9.13 5.38 0.00 2.94 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 0.00 145 I 7.72 4.60 1.98 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.01 1.11 0.00 0.00 146 W 8.44 4.17 0.00 3.57 3.19 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 *161 M 8.74 4.45 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 162 G 7.28 3.42 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 0.00 163 D 8.52 4.75 0.00 2.52 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 0.00 164 A 6.90 4.63 1.07 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 0.00 0.00 165 Y 8.65 4.94 0.00 2.88 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 0.00 166 V 9.11 4.64 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 0.84 0.00 0.00 0.77 0.00 0.00 167 I 8.51 4.60 1.99 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.49 0.97 0.00 0.00 168 V 9.16 4.95 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 0.96 0.00 0.00 0.97 0.00 0.00 169 Y 8.81 5.17 0.00 3.18 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 0.00 170 S 9.07 5.11 0.00 3.96 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 0.00 171 V 8.93 3.99 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 0.84 0.00 0.00 1.00 0.00 0.00 172 T 7.66 4.67 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 1.23 0.00 0.00 173 D 8.14 4.76 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 174 K 9.67 4.09 0.00 2.00 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.10 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.58 7.81 175 G 8.19 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 0.00 0.00 0.00 176 S 8.44 4.30 0.00 4.24 4.44 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 0.00 177 F 8.13 3.95 0.00 2.79 3.19 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 0.00 178 E 8.32 3.87 0.00 2.24 1.96 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 2.34 2.56 0.00 179 K 8.23 3.98 0.00 2.02 2.05 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.57 7.81 180 A 7.84 4.05 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 0.00 181 S 7.59 4.32 0.00 3.96 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 0.00 182 E 7.92 3.87 0.00 2.04 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 2.31 2.35 0.00 183 L 8.20 3.85 0.00 1.75 1.45 0.80 0.47 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 0.00 184 R 7.76 3.51 0.00 1.45 1.51 0.00 2.71 0.00 0.00 2.62 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 185 V 7.56 3.42 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 1.01 0.00 0.00 0.94 0.00 0.00 186 Q 8.10 3.93 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 187 L 7.84 3.71 0.00 1.46 1.51 0.14 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 188 R 7.49 3.92 0.00 1.77 1.97 0.00 3.23 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 189 R 8.12 3.98 0.00 1.90 1.95 0.00 3.33 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.76 0.00 190 A 7.49 4.24 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 *196 V 7.13 3.90 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 0.83 0.00 0.00 1.20 0.00 0.00 197 P 0.00 4.48 0.00 2.04 1.97 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 198 I 8.28 5.26 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.98 0.00 0.00 199 I 8.68 4.75 1.79 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 1.06 1.17 0.84 0.00 0.00 200 L 9.01 5.21 0.00 2.02 1.96 1.28 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 201 V 9.00 4.68 1.99 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 0.81 0.00 0.00 0.78 0.00 0.00 202 G 8.48 3.33 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 0.00 203 N 8.72 5.11 0.00 2.69 2.74 0.00 0.00 7.12 7.16 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 0.00 204 K 8.74 4.30 0.00 2.03 1.93 0.00 2.02 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.36 7.81 205 S 7.97 4.31 0.00 3.97 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 0.00 206 D 7.98 4.41 0.00 2.83 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 0.00 207 L 7.73 4.54 0.00 1.76 1.67 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 208 V 7.84 3.57 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 0.99 0.00 0.00 0.92 0.00 0.00 209 R 7.93 4.21 0.00 1.84 1.96 0.00 3.40 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 210 S 8.02 4.61 0.00 3.90 3.87 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 0.00 211 R 7.47 4.18 0.00 1.82 1.84 0.00 3.19 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 1.62 1.66 0.00 212 E 9.35 4.54 0.00 1.92 1.93 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 2.23 2.45 0.00 213 V 7.60 4.21 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 -0.18 0.00 0.00 0.83 0.00 0.00 214 S 9.03 4.47 0.00 3.99 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 0.00 215 V 8.22 3.86 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 1.29 0.00 0.00 1.03 0.00 0.00 216 D 8.00 4.31 0.00 2.67 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 0.00 217 E 8.13 3.95 0.00 1.76 1.56 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 2.22 2.18 0.00 218 G 7.63 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 0.00 0.00 0.00 219 R 7.72 3.55 0.00 1.84 1.91 0.00 3.16 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 220 A 8.05 3.90 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 0.00 221 C 8.05 3.59 0.00 2.98 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 0.00 222 A 7.56 3.87 1.47 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 0.00 0.00 223 V 7.57 3.49 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 0.97 0.00 0.00 0.96 0.00 0.00 224 V 7.62 3.63 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 0.99 0.00 0.00 0.92 0.00 0.00 225 F 8.28 4.58 0.00 2.96 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 0.00 226 D 8.00 4.38 0.00 2.78 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 0.00 227 C 8.34 4.96 0.00 3.28 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 0.00 228 K 8.17 4.40 0.00 1.99 1.71 0.00 1.46 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.44 7.81 229 F 8.61 5.54 0.00 2.97 2.91 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 0.00 230 I 7.84 4.11 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.90 0.67 0.00 0.00 231 E 8.23 4.95 0.00 1.74 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 0.00 2.11 2.16 0.00 232 T 8.76 4.85 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 1.11 0.00 0.00 233 S 8.68 4.67 0.00 3.87 3.72 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 0.00 234 A 8.68 3.90 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 0.00 235 A 8.01 4.07 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 0.00 236 L 7.96 4.39 0.00 1.66 1.73 0.88 0.95 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 0.00 237 H 7.25 3.93 0.00 3.32 3.39 0.00 5.82 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 H 8.41 4.71 0.00 3.10 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 N 8.73 4.04 0.00 2.89 2.75 0.00 0.00 6.78 7.68 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 0.00 240 V 7.74 3.71 2.17 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 1.25 0.00 0.00 1.00 0.00 0.00 241 Q 8.12 4.25 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 242 A 8.02 4.16 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 0.00 243 L 7.87 3.65 0.00 1.63 1.64 0.56 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 244 F 7.76 4.01 0.00 3.08 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 0.00 245 E 8.69 4.21 0.00 2.16 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 2.42 2.72 0.00 246 G 8.50 3.56 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 0.00 0.00 0.00 247 V 7.64 3.51 2.22 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 0.93 0.00 0.00 0.72 0.00 0.00 248 V 7.63 3.47 2.31 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 1.08 0.00 0.00 1.09 0.00 0.00 249 R 8.03 3.93 0.00 2.03 1.98 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 250 Q 7.79 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 251 I 7.37 3.65 1.45 0.00 0.00 0.36 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 0.37 -0.07 0.00 0.00 252 R 7.93 4.06 0.00 2.05 1.98 0.00 3.19 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 253 L 8.42 4.14 0.00 1.55 1.74 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 254 R 7.73 4.36 0.00 1.91 1.68 0.00 3.30 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 * Residues marked with a * may have inaccurate shift predictions.