NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15A A 4.3786 8.1233 122.4678 51.7765 20.8063 175.3072 15B N 4.8152 8.6328 117.4984 52.1183 39.7915 173.1848 16 I 4.2076 9.5397 126.8525 60.1707 38.8810 174.7313 17 V 4.6578 8.1437 126.7782 60.3879 34.7219 175.3986 18 G 3.5263 8.5162 114.5003 47.3192 0.0000 174.5677 19 G 4.3708 9.7229 113.1420 46.0937 0.0000 173.0696 *29 I 3.9927 7.2819 111.9531 60.6051 39.2871 174.6564 30 E 4.8487 8.6251 123.6915 56.4402 30.6040 175.0084 31 Y 5.2244 8.4949 121.6239 55.6972 42.0920 173.7835 32 S 5.1409 9.1820 115.1328 56.6823 66.6733 172.6715 33 I 5.0152 8.2971 121.7162 60.1289 39.3247 175.6081 34 N 4.0781 9.7617 125.8065 54.9080 36.9374 173.9968 35 N 3.9676 8.1429 108.8851 54.3357 36.1808 176.1614 *39 A 4.8505 7.2964 117.8110 52.3567 19.6584 178.2843 40 S 4.3148 8.0017 108.4265 57.6662 65.0638 173.2948 41 L 5.0022 8.2171 121.1045 53.4965 44.5706 176.4085 42 C 4.8860 8.3342 118.4870 55.8955 45.2484 172.6386 43 S 5.4298 8.7575 115.1162 56.8876 65.6030 174.8680 44 V 3.0318 8.6363 123.2173 63.1851 31.9184 175.6757 45 G 3.8537 8.7895 115.2659 48.0015 0.0000 173.1683 46 F 5.0961 7.7009 115.7144 54.7398 44.4726 174.0625 47 S 4.8327 8.9250 118.7720 59.1965 64.1127 173.6488 48 V 5.0101 9.0125 116.2897 60.4775 36.8226 173.4657 48A T 4.9651 9.1299 111.4476 60.2612 72.6719 173.2221 48B R 4.3531 8.6164 122.8810 54.4022 31.0322 175.9197 48C G 3.7720 8.6326 117.1590 46.1128 0.0000 172.9577 48D A 4.1794 8.6165 125.4498 53.6485 18.8873 177.6890 49 T 4.2835 7.9252 114.4445 62.9612 69.5880 174.0891 50 K 4.7613 8.4379 124.8456 55.8604 34.6817 175.7272 51 G 4.6335 8.5422 109.0749 45.9604 0.0000 171.7067 52 F 5.6647 8.3189 113.2220 55.2713 41.6693 174.4852 53 V 4.7137 9.0152 114.3963 61.5286 33.4520 175.5088 54 T 5.1711 8.6533 116.3816 61.7546 71.2267 172.0583 55 A 4.5722 8.8863 123.5481 51.4882 19.4526 179.1470 56 G 3.8584 8.9029 110.7503 48.7917 0.0000 175.3536 57 H 3.6841 8.5350 114.5400 57.1604 28.5519 176.0207 58 C 4.3100 7.7643 117.8845 59.5836 40.2422 173.5471 59 G 3.0557 7.1133 105.9012 44.1908 0.0000 172.0717 58 T 4.1100 7.5943 112.8845 63.1836 76.4400 173.6471 59 V 3.2157 6.8133 116.3012 61.2908 35.1663 173.4717 64 N 4.3815 9.2299 122.1942 53.2305 37.4843 174.7093 65 A 4.2651 7.5154 120.4107 52.3912 19.9488 176.5810 65A T 4.7537 9.3434 117.8106 62.8238 70.3248 173.7796 66 A 5.5097 9.0779 128.3489 50.5320 21.6891 175.8537 67 R 5.7141 8.7942 119.6301 53.3947 34.6652 175.0265 *80 I 4.1613 8.2634 122.1659 62.2575 38.4175 176.2210 81 G 4.0236 9.7045 115.7371 46.6900 0.0000 174.2170 82 G 3.8728 8.2740 103.5860 45.3607 0.0000 173.2563 83 A 4.6948 7.6821 123.3110 49.7461 20.9607 176.6098 84 V 4.1308 8.3540 121.9473 63.2443 32.1622 176.1380 85 V 4.3362 9.0627 119.4345 60.4019 34.1433 175.7480 86 G 4.2192 7.0058 105.1952 46.1057 0.0000 170.9528 87 T 5.1433 7.2281 108.1362 59.6264 73.0636 173.4353 88 F 3.8592 9.2063 121.8094 57.8917 39.1418 176.0264 89 A 4.2028 7.8904 125.6338 53.1926 19.9929 176.7874 90 A 4.5545 7.1291 114.0805 51.6786 22.6064 175.4452 91 R 5.2712 8.1289 114.4233 56.0902 33.3739 173.9725 *93 V 4.4929 8.1110 118.5962 63.4244 32.8507 174.0953 94 F 5.4985 8.9068 125.7084 57.8355 42.5852 171.5291 *99A P 3.4437 0.0000 0.0000 63.6727 31.4470 174.5702 100 G 4.1767 8.5512 111.1615 44.8313 0.0000 174.0316 101 N 5.3570 7.4909 115.0847 51.0176 43.0675 172.9947 102 D 5.6206 9.4914 117.8334 53.6553 42.1383 174.6430 103 R 5.2126 9.3588 118.6679 54.7391 33.9232 174.0463 104 A 4.9747 8.7013 119.9850 51.3008 23.4787 175.1698 105 W 5.3255 8.2752 115.1182 54.7234 32.2769 174.1957 106 V 3.8713 7.8142 122.4670 60.7593 33.1009 174.5023 107 S 4.7414 8.1017 123.4533 57.5382 64.6037 173.6985 108 L 5.0660 8.6504 123.8903 53.1608 44.0947 176.3931 109 T 4.2547 8.5065 110.9874 61.1653 69.5920 176.1770 110 S 4.1530 8.4966 117.7226 61.3070 62.9227 175.6277 111 A 4.2041 7.3263 121.3107 53.5023 18.3628 177.5898 112 Q 4.4360 7.7045 114.7644 55.8628 30.0434 175.9978 113 T 4.5150 8.5736 118.8901 61.8604 70.5634 173.7202 114 L 4.6516 8.5135 127.2087 54.3132 42.5691 176.6013 115 L 4.8997 8.2736 122.5204 51.4859 45.6021 175.0121 116 P 4.7925 0.0000 0.0000 62.4896 30.5232 175.1785 117 R 5.2534 7.6766 117.3843 55.4857 35.7026 175.7367 118 V 4.9767 8.8115 120.7573 60.8703 34.5714 174.7518 119 A 4.2705 9.1267 130.1553 52.1882 19.2669 177.5715 120 N 4.3714 8.3981 119.9454 52.2520 40.4954 175.5544 120B G 4.2166 7.7978 117.0438 46.8053 0.0000 173.1793 120C S 4.1389 8.5400 120.3854 58.5324 63.3454 173.3036 120D S 4.3857 7.6140 116.8548 56.5387 64.3866 171.9740 121 F 5.3422 8.0437 117.1071 56.0205 43.0834 174.2956 122 V 4.4315 8.8705 121.7168 61.4213 34.0423 174.8458 123 T 4.6004 8.4815 124.6103 63.3447 69.9801 173.6975 124 V 4.0588 9.0168 127.3836 62.7441 32.1786 176.2996 125 R 4.3970 9.5880 126.5226 55.4381 32.3100 176.3201 126 G 3.9289 6.8523 105.0132 46.0443 0.0000 171.8672 127 S 5.1068 7.9434 110.3589 56.7077 63.2501 174.5875 128 T 3.9272 8.2094 117.8815 64.5045 68.8119 174.3877 129 E 4.2427 8.6897 127.5713 55.7244 30.3567 176.1128 130 A 4.2819 8.9807 129.3647 51.6089 19.7214 176.6573 131 A 4.5011 8.1261 122.9441 50.2989 20.5197 177.1640 132 V 3.8841 8.0233 119.2919 64.7719 31.8227 175.9858 133 G 4.0187 8.8825 115.1228 45.1526 0.0000 173.8644 134 A 4.3503 7.9574 121.2488 51.7662 19.6311 176.8144 135 A 4.9267 8.5184 121.7513 51.8373 19.8669 177.2574 136 V 4.6059 8.9829 119.2140 60.8415 35.6428 172.5580 137 C 5.2186 9.3538 118.7552 55.0813 45.6047 173.0251 138 R 4.5871 8.2147 115.3956 54.6511 32.3712 173.9950 139 S 4.9658 8.4942 114.6723 56.8388 65.8439 172.8839 140 G 4.1716 8.1532 111.8711 45.4830 0.0000 173.8855 141 R 4.1781 8.9047 117.0897 58.1525 29.9312 177.8078 142 T 4.2665 8.7678 116.2198 65.5225 69.5151 176.2678 143 T 4.3640 8.1178 108.7428 61.8646 70.1393 174.0703 *156 G 4.1771 7.4770 108.4503 46.9229 0.0000 171.8354 157 Y 4.8107 8.6644 126.4875 56.4903 39.7448 175.9194 158 Q 4.6323 8.3975 125.8738 54.2085 32.5549 174.1465 159 C 5.0484 8.1922 118.4645 55.1152 40.8309 174.0083 160 G 4.1059 8.3282 106.4292 47.0818 0.0000 172.5018 161 T 5.3566 9.0818 112.6932 59.8453 73.2178 173.7411 162 I 4.6860 8.9698 124.6045 61.6490 37.7001 176.6716 163 T 4.5369 8.9343 116.7005 62.0224 70.6181 174.1275 164 A 4.4750 7.3354 121.1466 51.2329 22.3157 175.0567 165 K 4.5654 8.2567 117.9866 54.3278 36.3701 174.9633 166 N 4.0369 8.4106 116.1320 54.7630 37.1992 174.0054 167 V 4.0753 8.0818 116.4327 62.1219 33.5062 174.5128 168 T 4.8695 8.3230 122.9390 62.1534 70.0853 173.7151 169 A 4.3660 8.6787 128.5432 50.3607 21.3210 175.8631 170 N 5.0217 8.4427 120.9437 52.1397 37.5804 174.6893 171 Y 4.6952 8.1148 120.1639 56.6828 39.1559 176.8124 172 A 3.9395 8.7509 123.9718 55.4961 18.5240 179.6520 *174 E 4.5185 7.4943 112.4240 55.1343 31.3638 175.5958 175 G 4.2778 7.0508 106.0962 43.1214 0.0000 171.9380 176 A 4.3268 7.8632 122.1294 51.7107 20.0441 176.7362 177 V 4.5086 8.3415 119.9883 61.2856 34.0872 175.3072 178 R 4.5143 8.8553 127.2878 54.8324 32.6057 176.2983 179 G 3.8203 8.5009 105.7175 46.5511 0.0000 173.9781 180 L 4.2929 7.8986 119.6025 54.4394 43.2380 176.0305 181 T 4.5362 7.7854 117.6741 61.8355 71.0757 173.3350 182 Q 4.7597 9.1116 127.1963 54.3469 31.7986 174.6113 183 G 4.7360 9.2627 112.9237 44.2683 0.0000 172.3360 184 N 5.0713 8.8200 113.2234 52.6680 38.6262 173.8718 *190 A 4.4630 8.2160 119.6672 52.4480 19.7077 176.1918 191 C 4.9800 8.6570 115.8862 55.6836 38.5371 171.9727 192 M 4.7820 8.9150 115.3592 54.9313 34.6045 173.4356 192A G 4.5861 9.4997 106.3748 44.3024 0.0000 172.1479 192B R 4.1284 8.4525 119.6854 57.6089 29.7149 176.9644 193 G 4.2310 9.1110 111.5514 46.9422 0.0000 174.5901 194 D 4.4808 8.5204 119.1431 56.0733 41.3161 176.7024 195 S 4.5728 7.9720 115.9384 60.3996 63.4793 175.4392 196 G 4.1357 9.0021 112.6671 46.4622 0.0000 173.7753 197 G 4.2237 7.8188 106.9344 45.2275 0.0000 173.4564 198 S 4.5515 8.3364 115.8580 58.0874 64.4660 173.5219 199 W 4.7013 9.1741 122.6177 54.9521 31.9303 174.4833 200 I 5.1920 9.1201 124.4961 59.8574 41.2860 174.0204 201 T 4.8290 8.5916 117.5411 60.4662 70.4504 176.0165 202 S 3.9490 8.7971 116.2588 60.7704 63.0341 174.8489 203 A 4.1718 7.6654 123.3103 53.2453 18.5317 178.5812 *207 G 4.0388 7.7962 104.2560 44.8232 0.0000 172.0750 208 Q 4.8855 7.9041 119.6307 54.0486 30.0754 175.1191 209 A 4.2960 8.9964 128.0636 52.3001 19.0180 177.5875 210 Q 4.2197 9.7175 121.8212 55.8762 31.4882 176.0215 211 G 4.4682 6.9767 102.6568 46.8657 0.0000 171.5395 212 V 5.3834 8.1476 112.3987 59.2502 35.6230 175.4780 213 M 4.4569 9.4014 124.7117 57.0572 32.6109 175.0974 214 S 4.5863 9.1837 120.7239 58.1611 63.9586 174.8201 215 G 4.2685 6.5801 103.7608 48.7343 0.0000 170.3599 216 G 4.1264 8.3770 105.4100 46.5148 0.0000 173.0332 217 N 4.9317 8.1126 116.5745 51.5340 35.2407 175.3850 217A V 3.7372 7.7654 117.6941 62.3727 33.0253 176.4930 217B Q 4.5744 8.7102 123.7008 54.2548 30.7962 176.5714 217C S 4.1782 8.5306 112.5202 61.4099 62.9755 174.6232 217D N 4.5597 8.1482 116.7253 52.8049 37.3947 175.8745 217E G 3.9564 9.3331 108.4059 45.6307 0.0000 172.6776 218 N 5.4462 8.3733 116.3582 51.7481 40.4023 174.4715 219 N 5.1357 8.4025 113.9379 53.0664 37.5126 175.0001 220 C 4.4145 9.1201 118.6106 59.7104 40.4559 174.7346 221 G 3.9972 8.0562 107.2764 44.9371 0.0000 173.0652 221A I 4.6245 7.2543 112.2566 57.4832 40.6020 173.5952 221B P 4.3817 0.0000 0.0000 62.4075 32.1490 176.9638 221C A 4.0592 8.8676 123.4075 55.6109 18.3068 180.2534 222 S 4.2042 8.1404 108.7036 60.8331 63.0739 174.9605 223 Q 4.5297 8.4018 118.1391 55.4894 28.9008 175.4479 224 R 4.5325 7.7149 117.7945 55.3113 31.4106 176.0660 225 S 4.6131 9.9382 116.1814 56.8528 65.4538 172.7850 226 S 5.0596 8.9524 124.0137 56.8663 65.5097 173.2708 227 L 5.1882 9.4375 125.7560 52.7515 44.2646 175.7493 228 F 5.2894 8.2186 117.5015 54.8528 41.6113 173.3340 229 E 4.6006 9.2909 122.3794 55.0218 30.9087 176.0371 230 R 4.5458 8.6977 125.7629 56.7186 31.1324 177.4443 231 L 4.1075 9.0378 124.2342 58.1807 42.0966 178.9751 232 Q 3.9982 8.2581 118.0121 58.8851 28.6063 177.8123 233 P 4.2805 0.0000 0.0000 65.7328 31.2999 178.5350 234 I 3.6733 7.2387 120.2601 64.2757 37.0662 178.2272 235 L 3.9929 8.0102 120.0740 57.8443 41.3052 179.8551 235A S 4.1107 8.0556 114.2075 61.2890 62.8872 176.1304 236 Q 3.7897 7.9777 122.5695 58.5480 28.7821 177.1976 237 Y 4.7899 7.3933 113.9710 56.6593 38.5452 175.5787 238 G 3.7990 7.5538 107.8923 46.7227 0.0000 173.9336 239 L 4.6714 7.9738 118.4680 53.0157 44.0985 176.7258 240 S 4.7703 8.9269 117.0891 56.4184 66.0305 173.5957 241 L 4.3824 8.4369 126.1814 54.9759 42.8144 176.2008 242 V 4.1205 8.3048 126.6028 62.7398 32.0751 175.1456 243 T 4.9171 8.5551 116.9004 59.9223 72.4020 174.1528 244 G 3.7046 8.8200 110.2888 45.9654 0.0000 172.5673 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 8.63 4.82 0.00 2.68 2.74 0.00 0.00 6.93 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 9.54 4.21 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.88 0.00 0.00 17 V 8.14 4.66 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 0.99 0.00 0.00 0.94 0.00 0.00 18 G 8.52 3.53 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 19 G 9.72 4.37 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 0.00 *29 I 7.28 3.99 1.85 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 1.37 1.41 0.90 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 2.26 2.24 0.00 31 Y 8.49 5.22 0.00 3.36 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 32 S 9.18 5.14 0.00 3.87 3.97 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 33 I 8.30 5.02 1.82 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 1.46 0.91 0.76 0.00 0.00 34 N 9.76 4.08 0.00 2.76 2.84 0.00 0.00 7.16 8.10 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 35 N 8.14 3.97 0.00 2.88 2.86 0.00 0.00 6.84 7.95 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 *39 A 7.30 4.85 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 8.00 4.31 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 8.22 5.00 0.00 1.39 1.41 0.87 0.81 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 8.33 4.89 0.00 2.20 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 43 S 8.76 5.43 0.00 3.91 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 44 V 8.64 3.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.20 0.00 0.00 45 G 8.79 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 0.00 0.00 0.00 46 F 7.70 5.10 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.92 4.83 0.00 3.95 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 9.01 5.01 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 0.77 0.00 0.00 0.96 0.00 0.00 48A T 9.13 4.97 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 1.22 0.00 0.00 48B R 8.62 4.35 0.00 1.24 1.63 0.00 3.33 0.00 0.00 3.11 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 0.00 48C G 8.63 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 8.62 4.18 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 7.93 4.28 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 1.44 0.00 0.00 50 K 8.44 4.76 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.85 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.46 7.81 51 G 8.54 4.63 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 0.00 52 F 8.32 5.66 0.00 3.14 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 53 V 9.02 4.71 2.32 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 0.89 0.00 0.00 1.31 0.00 0.00 54 T 8.65 5.17 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 1.30 0.00 0.00 55 A 8.89 4.57 1.31 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 0.00 0.00 56 G 8.90 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 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1.36 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 0.00 0.00 0.00 67 R 8.79 5.71 0.00 1.82 1.84 0.00 3.30 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 1.56 1.47 0.00 *80 I 8.26 4.16 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.71 0.93 0.00 0.00 81 G 9.70 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 82 G 8.27 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 0.00 0.00 0.00 83 A 7.68 4.69 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 8.35 4.13 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 0.84 0.00 0.00 0.95 0.00 0.00 85 V 9.06 4.34 2.15 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 0.79 0.00 0.00 1.09 0.00 0.00 86 G 7.01 4.22 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 1.67 1.88 0.00 100 G 8.55 4.18 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 0.00 0.00 0.00 101 N 7.49 5.36 0.00 2.72 3.10 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 9.49 5.62 0.00 3.05 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 0.00 103 R 9.36 5.21 0.00 2.16 2.15 0.00 3.04 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 104 A 8.70 4.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 W 8.28 5.33 0.00 3.33 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 7.81 3.87 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 0.25 0.00 0.00 -0.74 0.00 0.00 107 S 8.10 4.74 0.00 3.76 3.54 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 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.39 0.00 0.00 0.00 0.00 0.00 2.12 2.44 0.00 159 C 8.19 5.05 0.00 2.73 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 0.00 160 G 8.33 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 T 9.08 5.36 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 1.25 0.00 0.00 162 I 8.97 4.69 1.97 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 1.59 0.85 0.99 0.00 0.00 163 T 8.93 4.54 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 1.26 0.00 0.00 164 A 7.34 4.48 1.17 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 0.00 0.00 165 K 8.26 4.57 0.00 1.54 1.61 0.00 1.87 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.20 1.33 7.81 166 N 8.41 4.04 0.00 2.79 2.82 0.00 0.00 6.90 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 8.08 4.08 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 0.90 0.00 0.00 0.89 0.00 0.00 168 T 8.32 4.87 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 1.10 0.00 0.00 169 A 8.68 4.37 0.42 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 0.00 170 N 8.44 5.02 0.00 2.57 2.76 0.00 0.00 7.11 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 8.11 4.70 0.00 3.30 3.04 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 0.00 172 A 8.75 3.94 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 *174 E 7.49 4.52 0.00 2.03 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 0.00 2.53 2.47 0.00 175 G 7.05 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 0.00 176 A 7.86 4.33 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 0.00 177 V 8.34 4.51 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 1.14 0.00 0.00 1.17 0.00 0.00 178 R 8.86 4.51 0.00 1.66 1.78 0.00 3.28 0.00 0.00 3.18 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 8.50 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 0.00 180 L 7.90 4.29 0.00 1.58 1.41 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 181 T 7.79 4.54 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 0.97 0.00 0.00 182 Q 9.11 4.76 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 183 G 9.26 4.74 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 0.00 184 N 8.82 5.07 0.00 3.11 3.06 0.00 0.00 7.27 6.93 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 *190 A 8.22 4.46 1.01 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 0.00 0.00 191 C 8.66 4.98 0.00 3.15 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 8.91 4.78 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.71 0.00 192A G 9.50 4.59 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 0.00 192B R 8.45 4.13 0.00 1.70 1.88 0.00 3.13 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 193 G 9.11 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 0.00 0.00 0.00 0.00 194 D 8.52 4.48 0.00 2.98 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 0.00 195 S 7.97 4.57 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 9.00 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 0.00 0.00 0.00 197 G 7.82 4.22 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 0.00 198 S 8.34 4.55 0.00 3.66 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 0.00 199 W 9.17 4.70 0.00 2.79 2.52 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 0.00 200 I 9.12 5.19 2.14 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 1.40 1.27 1.06 0.00 0.00 201 T 8.59 4.83 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 1.31 0.00 0.00 202 S 8.80 3.95 0.00 4.05 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 0.00 203 A 7.67 4.17 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 *207 G 7.80 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 0.00 208 Q 7.90 4.89 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 209 A 9.00 4.30 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 0.00 210 Q 9.72 4.22 0.00 1.80 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 2.45 2.48 0.00 211 G 6.98 4.47 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 0.00 212 V 8.15 5.38 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 0.95 0.00 0.00 1.19 0.00 0.00 213 M 9.40 4.46 0.00 2.55 2.32 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.74 0.00 214 S 9.18 4.59 0.00 4.09 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 0.00 215 G 6.58 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 0.00 0.00 0.00 0.00 216 G 8.38 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 0.00 217 N 8.11 4.93 0.00 2.80 2.91 0.00 0.00 6.99 7.72 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 217A V 7.77 3.74 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 0.80 0.00 0.00 0.95 0.00 0.00 217B Q 8.71 4.57 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 217C S 8.53 4.18 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 8.15 4.56 0.00 2.85 2.96 0.00 0.00 6.19 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 9.33 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 8.37 5.45 0.00 3.10 2.91 0.00 0.00 6.43 7.07 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 0.00 219 N 8.40 5.14 0.00 2.86 3.14 0.00 0.00 7.03 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 0.00 220 C 9.12 4.41 0.00 3.04 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 8.06 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 221A I 7.25 4.62 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 1.65 0.81 0.92 0.00 0.00 221B P 0.00 4.38 0.00 2.25 2.23 0.00 3.89 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 1.97 0.00 221C A 8.87 4.06 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 0.00 222 S 8.14 4.20 0.00 4.00 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 8.40 4.53 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 224 R 7.71 4.53 0.00 2.00 1.92 0.00 3.34 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 1.79 1.81 0.00 225 S 9.94 4.61 0.00 3.83 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 0.00 226 S 8.95 5.06 0.00 4.39 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 0.00 227 L 9.44 5.19 0.00 1.67 1.47 0.91 0.71 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 0.00 228 F 8.22 5.29 0.00 2.79 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 0.00 0.00 0.00 229 E 9.29 4.60 0.00 2.23 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 2.55 2.45 0.00 230 R 8.70 4.55 0.00 1.94 1.91 0.00 3.12 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 231 L 9.04 4.11 0.00 1.85 1.66 1.03 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 232 Q 8.26 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 233 P 0.00 4.28 0.00 2.24 2.29 0.00 3.71 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 2.22 2.06 0.00 234 I 7.24 3.67 2.10 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 1.67 0.90 1.22 0.00 0.00 235 L 8.01 3.99 0.00 1.81 1.82 0.87 0.65 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 235A S 8.06 4.11 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 7.98 3.79 0.00 1.79 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 1.40 2.12 0.00 237 Y 7.39 4.79 0.00 2.78 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 0.00 238 G 7.55 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 0.00 239 L 7.97 4.67 0.00 1.39 1.41 0.70 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 240 S 8.93 4.77 0.00 3.64 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 8.44 4.38 0.00 1.57 1.51 0.77 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 242 V 8.30 4.12 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 0.86 0.00 0.00 0.99 0.00 0.00 243 T 8.56 4.92 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 8.82 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.