NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15A A 4.3776 8.1233 122.4674 51.7989 20.8379 175.2166 15B N 4.8977 8.6096 117.0945 52.0324 40.0583 173.2774 16 I 4.2106 9.4086 126.3720 60.1204 38.8844 174.6671 17 V 4.7176 8.1269 126.8223 60.3484 34.6308 175.4251 18 G 3.5717 8.5405 114.6226 47.4073 0.0000 174.4599 19 G 4.3547 9.5061 112.3701 46.0606 0.0000 173.1184 *29 I 4.0261 7.2961 111.9211 60.5740 39.3086 174.6167 30 E 4.8452 8.6261 123.8477 56.4726 30.5634 175.1332 31 Y 5.2129 8.5351 122.3635 55.6892 42.0855 173.8758 32 S 5.1241 9.2006 115.5377 56.7703 66.6187 172.7095 33 I 5.0046 8.1442 121.2232 60.0325 39.3680 175.7890 34 N 4.0684 9.9250 126.5816 55.1355 36.7127 173.9228 35 N 4.0010 8.0689 108.2567 54.2502 36.9224 176.3478 *39 A 4.6572 7.6711 117.6058 52.2297 19.9158 178.7045 40 S 4.3152 8.4031 109.6440 57.3963 65.1975 173.8014 41 L 5.0562 8.2007 120.9492 53.5099 44.6676 176.3073 42 C 4.8668 8.2321 118.1980 55.9639 45.4511 172.6322 43 S 5.4154 8.6275 115.1452 56.6910 65.6814 174.9963 44 V 2.8913 8.8526 124.0038 63.5061 31.8533 175.4047 45 G 3.8176 8.7678 115.3337 47.9943 0.0000 173.2227 46 F 5.1304 7.8331 115.4664 54.9269 44.7024 174.1393 47 S 4.9259 8.9116 118.5418 59.0667 64.1038 173.6849 48 V 5.0595 9.0628 116.6160 60.3663 36.7967 173.6071 48A T 4.9505 9.1103 111.4321 60.2537 72.6565 173.0964 48B R 4.3642 8.8462 122.6741 54.3265 30.4241 176.1214 48C G 3.7713 8.5261 116.3254 46.1213 0.0000 172.6709 48D A 4.1962 8.6372 125.9299 53.3769 18.9091 177.4818 49 T 4.3286 8.0627 114.9297 62.7931 69.5429 174.1931 50 K 4.7062 8.4896 125.2056 56.0233 34.4939 175.8931 51 G 4.7560 8.6278 109.2051 46.9151 0.0000 171.6494 52 F 5.6526 8.0700 113.1531 55.3956 41.6562 174.2237 53 V 4.7355 8.9191 114.4651 61.3659 33.6984 175.3611 54 T 5.2588 8.5858 116.1625 61.6942 71.2934 172.0246 55 A 4.5756 8.8728 123.9255 51.4130 19.2814 179.0375 56 G 3.8516 8.9404 111.1023 48.8893 0.0000 175.3880 57 H 3.7043 8.5566 114.5581 57.1857 28.4907 176.0354 58 C 4.2797 7.7533 118.0210 59.7433 40.1445 173.2456 59 G 3.0081 7.0163 105.2321 44.4291 0.0000 171.8904 58 T 4.0797 7.5833 113.0210 63.3433 76.4400 173.3456 59 V 3.1681 6.7163 115.6321 61.5291 35.2647 173.2904 64 N 4.2756 9.1730 122.1603 53.4281 37.0950 174.5259 65 A 4.2179 7.5295 120.4726 52.3603 20.1257 176.7430 65A T 4.8208 9.2978 117.4307 62.5946 70.3243 173.7982 66 A 5.5304 8.8906 128.3160 50.5657 21.5139 175.8620 67 R 5.7228 8.7512 120.0449 53.5437 34.5214 175.0666 *80 I 4.1590 8.2614 122.2635 62.3180 38.3572 176.1976 81 G 4.0403 9.8456 115.5201 46.6369 0.0000 174.2383 82 G 3.9427 8.4168 105.7736 44.9899 0.0000 173.6365 83 A 4.6743 7.6653 122.9302 49.9690 20.8495 176.5131 84 V 4.2517 8.2773 121.2363 63.1501 32.2117 176.2934 85 V 4.3473 8.9968 119.4141 60.6095 34.2730 175.7222 86 G 3.9002 7.0708 105.2339 46.1228 0.0000 171.1549 87 T 5.1669 7.1789 108.1636 59.6867 72.9998 173.4480 88 F 3.7044 9.2303 121.8535 57.8827 39.2132 176.1339 89 A 3.8791 8.0624 126.1659 53.7835 19.3802 177.1064 90 A 4.5000 6.8756 115.5225 51.5421 22.3924 174.5737 91 R 5.2361 8.0741 113.6715 56.5006 32.8239 173.8798 *93 V 4.5804 7.9839 118.9628 63.3840 32.9108 173.8769 94 F 5.6533 8.9193 126.0390 58.2104 42.0588 171.6420 *99A P 3.3793 0.0000 0.0000 63.2616 31.6585 174.4957 100 G 4.2351 8.5261 111.8468 45.0008 0.0000 173.8923 101 N 5.1861 7.5775 114.7577 50.8949 43.1443 172.9967 102 D 5.7282 9.3874 118.0412 53.3804 41.9849 174.4721 103 R 5.2153 9.5460 118.6956 54.7456 34.0116 174.0314 104 A 5.2451 8.8815 120.6561 51.3606 23.5629 175.1133 105 W 5.4305 8.2768 115.5673 54.8685 32.1791 174.1235 106 V 3.8907 7.8413 122.5759 60.7311 33.3438 174.3665 107 S 4.7454 8.1127 123.3196 57.3821 64.5733 173.7076 108 L 5.0652 8.9587 124.8186 53.1285 43.9623 176.4634 109 T 4.2222 8.6026 111.2234 61.1964 69.5191 176.0929 110 S 4.1488 8.5369 117.7678 61.3061 62.8857 175.6654 111 A 4.2202 7.3145 121.3097 53.5248 18.5211 177.6035 112 Q 4.4138 7.7222 114.9606 55.9016 29.9552 176.0059 113 T 4.5072 8.5566 119.4497 61.8798 70.5187 173.6550 114 L 4.6443 8.5043 127.2062 54.1909 42.6300 176.5603 115 L 4.9073 8.3176 122.5916 51.4808 45.5085 174.9025 116 P 4.8814 0.0000 0.0000 63.0156 30.8799 175.2411 117 R 5.2982 7.7903 117.0880 55.5629 35.6746 175.5225 118 V 4.9722 8.8751 120.2748 60.8472 34.8029 174.6934 119 A 4.2840 9.1033 130.3786 52.2268 19.0997 177.6134 120 N 4.3730 8.4378 120.2576 52.0194 40.3562 175.7805 120B G 4.1528 7.6858 116.7267 46.6599 0.0000 173.6880 120C S 4.1381 8.6199 120.9607 58.6050 63.3092 172.9191 120D S 4.3286 7.5624 116.3142 56.1245 64.6216 171.9121 121 F 5.3905 7.9980 116.9874 55.8980 43.0994 174.4151 122 V 4.4423 8.9352 121.3743 61.4740 33.5451 174.7847 123 T 4.6918 8.4900 124.5065 63.1712 70.2045 173.7916 124 V 4.3446 9.0657 127.0444 62.7959 32.1321 176.3337 125 R 4.4010 9.4666 126.8100 55.6473 32.0620 176.3548 126 G 3.9420 6.8726 105.0763 46.0472 0.0000 172.2283 127 S 5.0602 8.0176 111.4190 56.7700 63.3833 174.4137 128 T 3.9210 8.2090 118.1990 64.6309 68.7328 174.1506 129 E 4.2953 8.6739 127.3628 55.5883 30.4367 175.9995 130 A 4.3143 9.2427 129.4479 51.4940 19.7868 176.6820 131 A 4.4891 8.1243 122.8673 50.3980 20.3899 177.2354 132 V 3.7905 7.9994 119.3810 64.6220 31.8440 176.4586 133 G 3.9648 8.9146 115.2346 45.0312 0.0000 173.6473 134 A 4.3610 8.0088 121.6867 51.6728 19.6942 176.8108 135 A 4.8610 8.5279 121.9680 51.9409 19.7425 177.3200 136 V 4.6178 9.0295 119.6472 60.8626 35.5704 172.5654 137 C 5.2340 9.1975 118.6964 55.1045 45.7210 173.0960 138 R 4.5818 7.9334 115.6526 54.5180 32.5814 173.9423 139 S 4.9744 8.5117 115.3969 56.7671 65.4504 172.9261 140 G 4.2228 8.4893 112.0920 45.3315 0.0000 174.4312 141 R 4.1692 8.7591 116.9351 58.5199 29.4948 178.1963 142 T 4.2052 8.5695 116.2079 65.6232 69.1716 176.3447 143 T 4.3786 8.0795 108.7406 61.8790 70.4851 174.0382 *156 G 4.3108 7.4692 108.5457 46.6058 0.0000 172.1566 157 Y 4.8315 8.6761 127.1096 56.4597 39.6831 175.6674 158 Q 4.6509 8.4398 125.5924 54.2223 32.8585 174.0139 159 C 5.1565 8.1984 118.2258 55.3726 41.7242 174.0997 160 G 4.0580 8.8173 107.7237 46.8225 0.0000 172.5700 161 T 5.3311 9.3293 113.2689 59.8716 73.2653 173.7495 162 I 4.6733 8.8602 124.3775 61.6676 37.6624 176.7433 163 T 4.4978 8.9649 116.9748 62.1976 70.6862 174.1811 164 A 4.4509 7.2871 121.0488 51.2685 22.2904 175.0667 165 K 4.5624 8.2820 117.8454 54.1592 36.2356 175.1531 166 N 3.9921 8.2539 116.4001 54.7527 37.0952 173.9793 167 V 4.1908 8.3949 118.3887 62.0839 33.9851 174.8508 168 T 4.9192 8.3183 122.5479 62.0114 70.0813 173.7509 169 A 4.5175 8.7145 128.0999 50.1111 21.9603 175.3147 170 N 4.7983 8.4463 118.9814 51.9551 39.5757 174.3690 171 Y 4.7843 8.1559 121.6885 56.0939 39.5659 176.9861 172 A 3.9258 8.8037 123.8369 55.6417 18.3680 179.5847 *174 E 4.5115 7.4895 111.8948 55.3363 31.7662 175.5922 175 G 4.2485 7.1005 106.2182 43.1221 0.0000 171.8767 176 A 4.4883 7.8267 121.8529 51.6594 20.0170 176.7995 177 V 4.5057 8.5444 120.3392 61.3189 34.1754 175.2566 178 R 4.5562 8.9785 127.3715 54.7541 32.7270 176.2261 179 G 3.8335 8.5081 105.5323 46.5697 0.0000 173.8950 180 L 4.2779 7.8623 119.4916 54.4309 43.2946 176.0756 181 T 4.4487 7.6724 118.3901 61.9422 70.7421 173.3723 182 Q 4.8631 9.0122 127.1097 54.4079 31.6143 174.5253 183 G 4.6778 9.0285 112.3041 44.3499 0.0000 172.0247 184 N 4.9271 8.9448 113.9114 52.6569 38.5197 173.9282 *190 A 4.7663 8.2310 119.5557 52.5440 19.6902 176.2794 191 C 5.0074 8.6907 115.6324 55.8151 37.7481 171.9738 192 M 4.8681 9.2228 116.2959 54.6134 34.8925 173.2797 192A G 4.6098 9.8750 106.0713 44.1398 0.0000 172.3602 192B R 4.1729 8.4817 119.4952 57.9011 30.3220 177.3944 193 G 4.1270 8.8557 110.0726 46.7602 0.0000 174.3585 194 D 4.4699 8.4434 119.3884 56.3366 41.3831 176.8271 195 S 4.5419 7.9635 115.6599 60.3498 63.0606 175.1841 196 G 4.1515 9.0312 112.5522 46.5390 0.0000 173.8492 197 G 3.9245 7.7401 106.6650 45.4212 0.0000 173.2918 198 S 4.5461 8.3057 115.9783 58.0163 64.3548 173.4665 199 W 4.7320 9.0873 123.2253 54.9249 31.6443 174.5753 200 I 5.1714 9.1048 124.2867 59.8900 41.4268 173.9828 201 T 4.7866 8.7642 117.3414 60.6416 70.1424 176.0463 202 S 4.0756 8.8380 116.5757 61.1337 63.1570 174.9765 203 A 4.1721 7.6653 122.8051 53.1736 18.5209 178.5412 *207 G 4.0524 7.7909 104.2153 44.7637 0.0000 172.1603 208 Q 4.8444 7.9330 119.8340 53.9813 29.6928 175.1194 209 A 4.3644 8.8085 128.1140 52.4147 18.9221 177.6234 210 Q 4.2141 9.6117 122.1198 55.9167 31.3183 176.0681 211 G 4.4350 7.0280 102.7735 46.8915 0.0000 171.4474 212 V 5.4277 8.2324 112.4104 59.0315 35.3284 175.7189 213 A 4.5935 9.3274 126.8292 53.2628 18.8672 176.7410 214 S 4.4687 9.2549 117.0477 58.3454 64.1817 174.1475 215 G 4.2041 7.0049 103.4345 47.0141 0.0000 170.9085 216 G 4.5348 8.4286 106.3675 45.6173 0.0000 174.4226 217 N 4.9393 8.6625 119.1735 51.5823 34.9113 175.8292 217A V 3.7995 7.6890 116.3511 62.3279 33.0923 176.6110 217B Q 4.6357 8.6306 122.7896 54.3179 30.9842 176.4565 217C S 4.1096 8.6246 112.4062 61.8113 62.8405 174.7683 217D N 4.4915 8.0859 115.8459 53.1145 37.4926 175.7584 217E G 3.9576 9.7263 109.3373 45.4613 0.0000 172.4602 218 N 5.5158 8.4039 116.4060 51.8438 40.5171 174.3298 219 N 5.0973 8.3728 112.5551 52.9750 37.4002 175.0873 220 C 4.4236 8.9561 118.5536 59.5811 40.4768 174.7566 221 G 3.8882 8.0493 106.9601 45.1828 0.0000 173.1198 221A I 4.6305 7.2247 112.4795 57.5803 40.6447 173.6047 221B P 4.3785 0.0000 0.0000 62.3785 32.1020 176.9658 221C A 4.0672 8.8815 122.7083 55.8092 17.8985 180.2560 222 S 4.0822 8.1583 110.8912 61.1358 62.9369 175.6385 223 Q 4.4178 8.2194 119.0204 54.8342 29.3615 175.6294 224 R 4.5117 7.5151 120.1482 55.3292 31.5318 176.1766 225 S 4.5647 9.6246 115.9798 56.9265 65.4533 172.6805 226 S 5.3190 9.0285 124.2578 56.8425 65.5757 173.4279 227 L 5.1752 9.7230 126.4256 52.8282 44.5495 175.6774 228 F 5.3274 8.0431 116.3641 54.9379 41.6428 173.2280 229 E 4.7155 9.5293 122.4275 55.0790 30.9273 176.0521 230 R 4.5961 8.6695 126.0766 56.5483 31.0894 177.1344 231 L 4.2125 9.0256 124.3668 58.2306 42.1031 178.9308 232 Q 3.9880 8.2565 117.9316 58.9185 28.7122 177.7551 233 P 4.2808 0.0000 0.0000 65.8032 31.1622 178.5326 234 I 3.6983 7.5867 119.1979 64.3561 37.1663 178.0796 235 L 4.0108 8.0615 120.1011 57.7623 41.2613 179.8194 235A S 4.0990 8.0997 114.3159 61.3090 62.9152 176.2612 236 Q 3.7843 7.8696 122.2914 58.3950 28.8279 176.9704 237 Y 4.7761 7.5026 114.4566 56.6190 38.7282 175.4992 238 G 3.7796 7.5548 107.9823 46.6353 0.0000 173.8640 239 L 4.6281 7.9081 118.4658 53.2116 43.8522 176.8798 240 S 4.7724 8.9333 117.4813 56.3644 65.9062 173.5803 241 L 4.3450 8.4342 126.3144 55.0220 42.8196 176.2125 242 V 4.0992 8.4102 126.7504 62.7029 31.9680 175.1504 243 T 4.9085 8.5661 117.1550 59.9568 72.3047 174.2680 244 G 3.7071 8.7205 110.0885 46.0162 0.0000 172.6661 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 15A A 8.12 4.38 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 15B N 8.61 4.90 0.00 2.67 2.73 0.00 0.00 6.91 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 16 I 9.41 4.21 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.43 0.88 0.00 0.00 17 V 8.13 4.72 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 0.98 0.00 0.00 0.93 0.00 0.00 18 G 8.54 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.51 4.35 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 0.00 *29 I 7.30 4.03 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.75 0.91 0.00 0.00 30 E 8.63 4.85 0.00 1.98 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 2.25 2.23 0.00 31 Y 8.54 5.21 0.00 3.33 2.92 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 32 S 9.20 5.12 0.00 3.87 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 33 I 8.14 5.00 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.78 0.00 0.00 34 N 9.93 4.07 0.00 2.73 2.83 0.00 0.00 7.18 8.03 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 35 N 8.07 4.00 0.00 2.88 2.85 0.00 0.00 6.83 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 *39 A 7.67 4.66 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 40 S 8.40 4.32 0.00 3.71 3.70 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 41 L 8.20 5.06 0.00 1.39 1.41 0.87 0.76 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 42 C 8.23 4.87 0.00 2.24 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 43 S 8.63 5.42 0.00 3.81 3.71 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 44 V 8.85 2.89 1.89 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 0.32 0.00 0.00 0.15 0.00 0.00 45 G 8.77 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 46 F 7.83 5.13 0.00 3.06 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 47 S 8.91 4.93 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 48 V 9.06 5.06 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 0.76 0.00 0.00 0.95 0.00 0.00 48A T 9.11 4.95 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 1.21 0.00 0.00 48B R 8.85 4.36 0.00 1.18 1.63 0.00 3.37 0.00 0.00 3.12 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.14 0.00 48C G 8.53 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 0.00 0.00 0.00 48D A 8.64 4.20 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 49 T 8.06 4.33 4.46 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 0.00 0.00 0.00 1.43 0.00 0.00 50 K 8.49 4.71 0.00 1.75 1.76 0.00 1.86 0.00 0.00 1.97 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.47 7.81 51 G 8.63 4.76 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 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.07 5.65 0.00 3.12 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 53 V 8.92 4.74 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 0.99 0.00 0.00 1.30 0.00 0.00 54 T 8.59 5.26 4.57 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 0.00 0.00 0.00 1.29 0.00 0.00 55 A 8.87 4.58 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 56 G 8.94 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 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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 67 R 8.75 5.72 0.00 1.82 1.88 0.00 3.28 0.00 0.00 3.29 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 *80 I 8.26 4.16 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.70 0.93 0.00 0.00 81 G 9.85 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 0.00 0.00 0.00 82 G 8.42 3.94 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 0.00 0.00 0.00 83 A 7.67 4.67 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 84 V 8.28 4.25 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 0.84 0.00 0.00 0.95 0.00 0.00 85 V 9.00 4.35 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 0.83 0.00 0.00 1.10 0.00 0.00 86 G 7.07 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.64 1.84 0.00 100 G 8.53 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 0.00 0.00 0.00 0.00 101 N 7.58 5.19 0.00 2.72 3.09 0.00 0.00 6.30 8.08 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 0.00 102 D 9.39 5.73 0.00 3.05 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 0.00 103 R 9.55 5.22 0.00 2.14 2.14 0.00 3.05 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.93 0.00 104 A 8.88 5.25 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 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.28 5.43 0.00 3.26 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 0.00 106 V 7.84 3.89 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 0.29 0.00 0.00 -0.73 0.00 0.00 107 S 8.11 4.75 0.00 3.73 3.39 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.43 0.00 0.00 0.00 0.00 0.00 2.13 2.44 0.00 159 C 8.20 5.16 0.00 2.76 2.89 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 0.00 160 G 8.82 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 0.00 161 T 9.33 5.33 4.41 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 1.26 0.00 0.00 162 I 8.86 4.67 1.96 0.00 0.00 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 1.53 0.95 0.95 0.00 0.00 163 T 8.96 4.50 4.26 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 1.30 0.00 0.00 164 A 7.29 4.45 1.16 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 0.00 165 K 8.28 4.56 0.00 1.54 1.60 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.21 1.33 7.81 166 N 8.25 3.99 0.00 2.78 2.80 0.00 0.00 6.88 7.71 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 0.00 167 V 8.39 4.19 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 0.90 0.00 0.00 0.87 0.00 0.00 168 T 8.32 4.92 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 1.11 0.00 0.00 169 A 8.71 4.52 0.47 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 0.00 170 N 8.45 4.80 0.00 2.53 2.74 0.00 0.00 6.97 7.46 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 0.00 171 Y 8.16 4.78 0.00 3.33 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 0.00 172 A 8.80 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 *174 E 7.49 4.51 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 175 G 7.10 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 0.00 0.00 0.00 0.00 176 A 7.83 4.49 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 0.00 177 V 8.54 4.51 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.24 0.00 0.00 178 R 8.98 4.56 0.00 1.65 1.79 0.00 3.28 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 179 G 8.51 3.83 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 0.00 0.00 0.00 180 L 7.86 4.28 0.00 1.59 1.41 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 181 T 7.67 4.45 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 1.03 0.00 0.00 182 Q 9.01 4.86 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 183 G 9.03 4.68 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 0.00 0.00 0.00 184 N 8.94 4.93 0.00 3.07 3.06 0.00 0.00 7.27 6.66 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 *190 A 8.23 4.77 1.09 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 0.00 0.00 191 C 8.69 5.01 0.00 3.24 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 M 9.22 4.87 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 192A G 9.88 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 0.00 0.00 0.00 0.00 192B R 8.48 4.17 0.00 1.80 1.89 0.00 3.12 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 193 G 8.86 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 D 8.44 4.47 0.00 2.96 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 0.00 195 S 7.96 4.54 0.00 3.89 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 0.00 196 G 9.03 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 0.00 197 G 7.74 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 S 8.31 4.55 0.00 3.64 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 0.00 199 W 9.09 4.73 0.00 2.88 2.50 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 0.00 200 I 9.10 5.17 2.16 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.77 1.04 0.00 0.00 201 T 8.76 4.79 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 1.35 0.00 0.00 202 S 8.84 4.08 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 A 7.67 4.17 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 *207 G 7.79 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 Q 7.93 4.84 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 209 A 8.81 4.36 0.56 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 0.00 210 Q 9.61 4.21 0.00 1.62 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 211 G 7.03 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 0.00 0.00 0.00 212 V 8.23 5.43 2.43 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 0.95 0.00 0.00 1.19 0.00 0.00 213 A 9.33 4.59 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 0.00 214 S 9.25 4.47 0.00 4.03 4.14 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 0.00 215 G 7.00 4.20 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 0.00 216 G 8.43 4.53 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 0.00 217 N 8.66 4.94 0.00 2.79 2.91 0.00 0.00 7.02 6.98 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 217A V 7.69 3.80 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 0.77 0.00 0.00 0.96 0.00 0.00 217B Q 8.63 4.64 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 217C S 8.62 4.11 0.00 3.98 4.01 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 217D N 8.09 4.49 0.00 2.86 2.97 0.00 0.00 6.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217E G 9.73 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 0.00 0.00 0.00 218 N 8.40 5.52 0.00 3.07 2.91 0.00 0.00 6.44 7.02 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 0.00 219 N 8.37 5.10 0.00 2.84 3.14 0.00 0.00 7.04 8.04 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 0.00 220 C 8.96 4.42 0.00 3.08 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 0.00 221 G 8.05 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 0.00 0.00 0.00 221A I 7.22 4.63 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.81 0.92 0.00 0.00 221B P 0.00 4.38 0.00 2.33 2.23 0.00 3.61 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 2.09 0.00 221C A 8.88 4.07 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 0.00 222 S 8.16 4.08 0.00 4.05 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 0.00 223 Q 8.22 4.42 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 224 R 7.52 4.51 0.00 1.95 1.92 0.00 3.32 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 225 S 9.62 4.56 0.00 3.82 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 0.00 226 S 9.03 5.32 0.00 4.37 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 0.00 227 L 9.72 5.18 0.00 1.62 1.48 0.92 0.65 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 0.00 228 F 8.04 5.33 0.00 2.89 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 0.00 0.00 0.00 0.00 229 E 9.53 4.72 0.00 2.21 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 0.00 2.57 2.46 0.00 230 R 8.67 4.60 0.00 1.88 1.93 0.00 3.20 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 231 L 9.03 4.21 0.00 1.86 1.66 1.05 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 232 Q 8.26 3.99 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 233 P 0.00 4.28 0.00 2.25 2.30 0.00 3.70 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 2.23 2.07 0.00 234 I 7.59 3.70 2.11 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.76 1.20 0.00 0.00 235 L 8.06 4.01 0.00 1.78 1.83 0.87 0.71 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 235A S 8.10 4.10 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 Q 7.87 3.78 0.00 1.83 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 1.26 2.09 0.00 237 Y 7.50 4.78 0.00 2.78 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 0.00 238 G 7.55 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 0.00 239 L 7.91 4.63 0.00 1.40 1.41 0.69 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 240 S 8.93 4.77 0.00 3.65 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 0.00 241 L 8.43 4.35 0.00 1.56 1.50 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 242 V 8.41 4.10 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 0.86 0.00 0.00 0.99 0.00 0.00 243 T 8.57 4.91 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 244 G 8.72 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.