NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15A A 4.3747 8.1233 122.4676 51.7951 20.8123 175.2927 15B N 4.8315 8.6181 117.5117 52.0146 39.9903 173.2128 16 I 4.1766 9.5658 127.0904 60.2822 38.8021 174.8065 17 V 4.7188 8.1372 126.6794 60.3552 34.8457 175.3582 18 G 3.6461 8.4553 114.6249 47.1420 0.0000 174.3301 19 G 4.3530 9.6086 113.0084 46.0761 0.0000 173.1726 *29 I 3.9316 7.4173 112.0783 60.5321 39.2569 174.7377 30 E 4.8540 8.6418 124.0029 56.4902 30.5649 175.0837 31 Y 5.2006 8.6225 122.0592 55.6275 42.1491 173.8135 32 S 5.1475 9.0341 114.9469 56.7505 66.4514 172.7359 33 I 4.8940 8.2998 122.2423 60.0961 38.9334 175.5835 34 N 4.0898 9.8596 126.2737 54.9985 36.8120 173.8852 35 N 3.9679 8.1150 108.6868 54.2774 36.3017 176.3012 *39 A 4.7957 7.3807 117.6115 52.3693 19.7230 178.5166 40 S 4.3647 8.0266 108.4808 57.4815 65.1882 173.3808 41 L 5.0030 8.1860 120.5908 53.4683 44.9449 176.4139 42 C 4.9028 8.3678 118.3409 55.8708 45.3679 172.6259 43 S 5.4845 8.6741 115.2268 56.7233 65.5007 174.9892 44 V 2.8882 8.8385 123.8127 63.7346 31.8022 175.1593 45 G 3.7409 8.9758 114.9696 47.0644 0.0000 172.9280 46 F 5.2025 8.0278 115.1809 54.8655 44.6532 174.5528 47 S 4.8520 8.9023 118.7859 59.0562 64.1080 173.6703 48 V 5.0410 9.2156 116.8103 60.3149 36.8491 173.7355 48A T 4.9897 8.9851 111.2830 60.2169 72.5456 173.1546 48B R 4.3753 8.9678 123.2866 54.2975 30.9388 176.0811 48C G 3.8927 8.5938 117.4724 46.3260 0.0000 172.7787 48D A 4.2152 8.6329 126.0095 53.2547 18.9184 177.5073 49 T 4.3199 8.1306 115.0187 62.8548 69.6408 174.1095 50 K 4.7644 8.4302 124.9954 55.8463 34.7282 175.8766 51 G 4.5442 8.6605 109.0698 46.0154 0.0000 171.6892 52 F 5.6932 8.3273 113.4125 55.2920 41.8034 174.4749 53 V 4.7103 8.9674 114.0473 61.4536 33.4175 175.4415 54 T 5.3061 8.7040 116.5438 61.5384 71.3325 172.2257 55 A 4.4549 8.9037 123.8460 51.6473 19.4411 179.1065 56 G 3.8309 8.9585 110.8456 48.8654 0.0000 175.4130 57 H 3.7272 8.6010 114.4201 57.0067 28.4747 175.9807 58 C 4.2761 7.7378 118.0063 59.7583 40.1734 173.4216 59 G 3.0144 6.9873 104.8081 44.3053 0.0000 171.9216 58 T 4.0761 7.5678 113.0063 63.3583 76.4400 173.5216 59 V 3.1744 6.6873 115.2081 61.4053 35.2345 173.3216 64 N 4.2549 9.2461 121.5623 53.4216 37.4721 174.6745 65 A 4.2659 7.4936 120.4399 52.3229 20.1161 176.6377 65A T 4.8393 9.3232 117.7548 62.8360 70.1888 173.8080 66 A 5.5365 8.9334 128.4960 50.6144 21.6079 175.8895 67 R 5.6876 8.8544 119.6756 53.3905 34.7994 175.0512 *80 I 4.2505 8.2521 121.9121 62.1676 38.1442 176.2083 81 G 4.0507 9.5435 115.5203 46.7678 0.0000 174.2494 82 G 3.8541 8.4765 104.7782 45.2468 0.0000 173.6135 83 A 4.6992 7.6590 123.2013 49.6397 20.9873 176.7131 84 V 4.1283 8.3925 122.4157 63.2320 32.2042 176.0632 85 V 4.3216 9.1862 119.6442 60.2925 34.0600 175.8567 86 G 4.1511 7.0188 105.2352 46.1962 0.0000 170.8522 87 T 5.1516 7.1359 107.9422 59.7349 73.0777 173.4038 88 F 3.7153 9.1321 121.6990 57.8456 39.1488 176.0973 89 A 4.1388 7.9386 125.9142 53.5644 19.6367 176.8487 90 A 4.6465 6.9588 114.3912 51.5548 22.8379 175.4727 91 R 5.3678 8.2740 113.5632 56.4018 32.9939 173.8699 *93 V 4.6952 8.0425 119.1386 63.3802 32.9678 174.1267 94 F 5.6902 8.9217 124.7642 57.8723 42.5584 171.4353 *99A P 3.4013 0.0000 0.0000 63.7716 31.3837 174.4165 100 G 4.0825 8.3954 110.4789 44.4728 0.0000 174.0152 101 N 5.2326 7.5477 113.8178 50.6433 43.0712 173.2625 102 D 5.8500 9.4483 118.6441 52.9896 41.4974 174.1758 103 R 5.2114 9.2426 118.2503 54.7068 34.0957 174.2291 104 A 5.2181 8.6700 120.1127 51.4552 23.5699 175.0768 105 W 5.3444 8.2000 115.3026 54.9042 32.1775 174.1675 106 V 3.8797 7.8317 122.7270 60.7209 33.3579 174.3847 107 S 4.7920 8.0148 123.2687 57.4951 64.5762 173.8162 108 L 5.1316 8.7417 124.5028 53.0744 43.9114 176.4416 109 T 4.1778 8.4450 110.4972 61.1901 69.4767 175.9377 110 S 4.1073 8.5945 116.9719 61.1562 62.5036 175.2758 111 A 4.1795 7.8580 121.3412 54.0315 18.5025 177.4372 112 Q 4.4238 7.7987 114.9365 56.0049 29.9489 176.1115 113 T 4.4944 8.4420 119.0505 61.9166 70.3699 173.7937 114 L 4.6508 8.4899 127.1709 54.2725 42.6194 176.6215 115 L 4.8976 8.3315 122.4426 51.4758 45.5219 175.0189 116 P 4.8790 0.0000 0.0000 62.5620 30.5878 175.1707 117 R 5.2463 7.6914 117.2484 55.5770 35.7629 175.6309 118 V 4.9814 8.8017 120.5089 60.8668 34.5571 174.7428 119 A 4.2287 9.0541 130.4593 52.1703 19.2140 177.4442 120 N 4.3204 8.2683 119.9282 51.9620 40.3049 175.6240 120B G 4.2044 7.7419 116.8459 46.7950 0.0000 172.6671 120C S 4.2373 8.5688 120.8271 58.0862 63.1836 172.9669 120D S 4.4553 7.6106 117.0479 56.2319 64.6820 172.0378 121 F 5.3179 8.0837 116.9106 55.9802 43.0969 174.3268 122 V 4.4309 9.0400 121.3365 61.4288 33.7446 174.8759 123 T 4.5849 8.5280 124.7757 63.3494 69.4948 174.2511 124 V 4.0978 8.9418 127.6294 62.8624 32.1076 176.3526 125 R 4.4260 9.8181 126.8168 55.3762 32.2213 176.5630 126 G 3.9164 6.7877 104.7694 45.9790 0.0000 171.7215 127 S 5.0490 7.8582 110.4233 56.7645 63.3080 174.5228 128 T 3.9526 8.3177 117.9170 64.5089 68.8692 174.3295 129 E 4.2945 8.6703 127.2907 55.5940 30.3778 176.1207 130 A 4.2766 9.3488 129.4838 51.6335 19.6935 176.5243 131 A 4.5240 8.0910 122.8175 50.2667 20.7346 177.0517 132 V 3.8963 7.9705 119.1853 64.5855 31.8805 176.1990 133 G 3.9808 8.9507 115.3422 45.0870 0.0000 173.7409 134 A 4.3666 7.8559 121.3102 51.6913 19.6625 176.8665 135 A 4.9015 8.5147 121.5254 51.9844 19.7627 177.3492 136 V 4.6059 9.1360 118.9276 60.8140 35.4571 172.6174 137 C 5.2298 9.3158 119.1828 55.0443 44.5149 173.0361 138 R 4.6430 8.0143 115.8428 54.4540 32.3020 173.9880 139 S 4.9879 8.5846 114.6849 56.9118 65.9979 172.8756 140 G 4.1529 8.3001 111.5826 45.5418 0.0000 173.7644 141 R 4.1579 8.7989 116.7329 58.3682 29.8375 177.9663 142 T 4.2406 8.6565 116.2345 65.4942 69.1553 176.2848 143 T 4.4139 8.0673 108.7515 61.8924 70.5528 174.0263 *156 G 4.3174 7.4589 108.5464 46.9126 0.0000 172.1248 157 Y 5.1047 8.6768 126.7951 56.1089 40.1784 175.5324 158 Q 4.5994 8.4902 125.3586 54.2338 32.9903 173.8382 159 C 5.1162 8.1723 118.3008 55.3873 40.3940 174.1266 160 G 4.0942 8.3371 106.1523 46.9818 0.0000 172.3600 161 T 5.3130 9.0835 111.8374 59.7934 73.1613 173.6968 162 I 4.6317 8.6892 123.9410 61.6830 37.7113 176.7544 163 T 4.5289 9.0026 116.4557 62.0008 70.8495 173.9686 164 A 4.4780 7.3701 120.9358 51.1706 22.3219 175.0882 165 K 4.5416 8.3154 118.1170 54.0561 36.2827 174.9629 166 N 4.0076 8.3454 116.1702 54.7210 37.3561 174.0201 167 V 4.0830 8.2694 117.0705 62.2537 33.6700 174.5783 168 T 4.9702 8.3121 122.3739 61.9055 70.1866 173.6204 169 A 4.4091 8.6912 128.5568 50.3118 21.5210 175.6939 170 N 4.7639 8.4239 120.4098 52.0746 37.6868 174.5231 171 Y 4.6970 8.1256 120.0157 56.7066 39.2178 176.6901 172 A 3.9281 8.8335 124.6952 55.5701 18.5167 179.7153 *174 E 4.5254 7.5193 112.5278 54.8505 31.1640 175.7333 175 G 4.2550 7.1463 106.9831 43.4798 0.0000 171.6911 176 A 4.2295 7.7984 122.1583 51.7138 20.0085 176.7107 177 V 4.5265 8.4938 120.5025 61.2430 34.1608 175.1704 178 R 4.5641 9.1182 127.0532 54.9925 32.8329 176.4662 179 G 3.8111 8.6002 106.0947 46.1957 0.0000 173.8621 180 L 4.3053 8.0262 119.9550 54.4972 43.3512 175.9529 181 T 4.4937 7.8267 117.7331 61.8559 70.9150 173.4061 182 Q 4.8761 9.2062 127.4621 54.3038 31.9713 174.5321 183 G 4.7357 9.1171 112.4546 44.2580 0.0000 172.1703 184 N 5.0712 8.8565 113.6447 52.6245 38.6246 173.8243 *190 A 4.6931 8.2380 119.5859 52.4777 19.6491 176.2887 191 C 4.8761 8.6692 115.5412 55.8275 37.8384 172.1054 192 M 4.9157 9.0909 118.1244 54.7362 36.0022 173.1772 192A G 4.5549 9.8563 109.4191 43.8860 0.0000 171.9799 192B R 4.1601 8.4464 119.5636 57.7726 29.6985 177.2433 193 G 4.2605 9.1227 111.6695 46.6845 0.0000 174.2338 194 D 4.5257 8.4659 118.9710 55.6890 41.4569 176.8123 195 S 4.5305 7.8920 116.0374 60.1701 63.2726 175.3203 196 G 4.1304 8.9976 112.4561 46.5750 0.0000 174.0697 197 G 4.0749 7.9032 106.9308 45.1035 0.0000 173.3205 198 S 4.3854 8.3454 116.0251 58.1320 64.3135 173.5382 199 W 4.9662 9.2097 123.6446 54.9264 31.6126 174.5942 200 I 5.1627 9.2245 124.4099 59.9454 41.1543 173.9043 201 T 4.8120 8.7145 117.3108 60.5086 70.3145 176.0981 202 S 4.2833 8.8100 116.5936 61.0395 62.9858 175.0014 203 A 4.1179 7.6369 123.5505 53.4974 18.5158 178.6126 *207 G 3.9239 7.8043 104.0480 44.9010 0.0000 172.1375 208 Q 4.8015 8.0041 120.0577 54.1405 29.5757 175.1474 209 A 4.3169 9.0444 128.2425 52.2828 18.9315 177.6250 210 Q 4.2417 9.9693 122.0756 55.4654 31.4524 176.3570 211 G 4.3433 6.9757 104.3949 45.8980 0.0000 170.5542 212 V 5.3049 7.9168 111.6906 59.0496 35.2206 175.6938 213 A 4.6738 9.3456 126.7947 53.1583 18.9086 176.7251 214 S 4.5605 9.1927 116.7916 58.5271 64.2859 174.1540 215 G 4.2179 6.6947 103.2274 48.5944 0.0000 170.7429 216 G 4.4148 8.3577 105.9009 46.5562 0.0000 173.7979 217 N 5.0187 8.5960 117.7186 51.1849 35.5269 174.8449 217A V 3.6907 7.8746 125.1642 62.7044 32.6455 177.2024 217B Q 4.5375 8.5949 123.2590 54.2647 30.7426 176.4622 217C S 4.1165 8.5435 112.5714 61.4097 62.9637 174.6201 217D N 4.5762 8.1626 116.6826 52.6648 37.4346 175.8530 217E G 3.9522 9.4578 108.1772 45.7158 0.0000 172.7579 218 N 5.2914 8.3065 116.2725 51.8260 40.3158 174.5745 219 N 5.1768 8.2946 114.2382 53.0761 37.5455 174.9462 220 C 4.4129 8.9685 118.6943 59.7092 40.4320 174.6973 221 G 4.0053 8.0568 107.2517 44.9528 0.0000 173.0335 221A I 4.6194 7.2587 112.2481 57.4852 40.5958 173.5768 221B P 4.3848 0.0000 0.0000 62.3769 32.1476 176.9713 221C A 4.0536 8.8798 123.5949 55.6039 18.3081 180.1887 222 S 4.1390 8.1620 108.6748 60.8663 62.9609 174.9731 223 Q 4.5229 8.3654 117.8118 55.4810 29.0803 175.5332 224 R 4.4916 7.8077 117.9014 55.2932 31.4342 176.1171 225 S 4.6125 9.8884 116.0993 56.8668 65.1981 172.7145 226 S 5.2858 8.9352 124.0455 56.8521 65.4478 173.4618 227 L 5.1695 9.6884 126.3361 52.8217 44.5911 175.6788 228 F 5.2993 8.0771 116.0931 54.9583 41.8212 173.1151 229 E 4.6123 9.5331 122.1917 55.1775 30.8287 175.8135 230 R 4.4971 8.7665 125.9260 57.0634 30.4039 177.2774 231 L 4.2039 9.1231 125.0800 58.0773 42.1808 178.9632 232 Q 3.9728 8.2630 118.0452 58.8789 28.6507 177.7900 233 P 4.2955 0.0000 0.0000 65.7023 31.3367 178.5334 234 I 3.7031 7.6097 119.4097 64.2299 37.1602 178.0274 235 L 3.9916 7.9408 120.1271 57.8476 41.3263 179.8239 235A S 4.1239 8.0068 114.1344 61.2910 62.8981 176.0918 236 Q 3.7946 7.9216 122.4119 58.4634 28.7519 177.1788 237 Y 4.7930 7.3581 113.9259 56.6133 38.5560 175.6085 238 G 3.8178 7.5606 107.7821 46.6928 0.0000 174.0444 239 L 4.6409 7.9692 118.5274 53.1596 43.8778 176.7075 240 S 4.7709 8.8542 116.9321 56.4491 65.9694 173.6924 241 L 4.3877 8.4433 126.0595 54.9746 42.8987 176.1187 242 V 4.1428 8.3546 126.1668 62.5701 32.0490 175.1891 243 T 4.9010 8.5676 117.1224 59.9412 72.2727 174.2626 244 G 3.7022 8.6378 110.0317 46.0025 0.0000 172.6407 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 4.37 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 8.62 4.83 0.00 2.68 2.74 0.00 0.00 6.94 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 9.57 4.18 1.88 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 1.53 0.85 0.00 0.00 17 V 8.14 4.72 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 0.98 0.00 0.00 0.95 0.00 0.00 18 G 8.46 3.65 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 0.00 0.00 0.00 19 G 9.61 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 7.42 3.93 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 1.42 1.02 0.90 0.00 0.00 30 E 8.64 4.85 0.00 1.99 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 8.62 5.20 0.00 3.23 2.94 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 32 S 9.03 5.15 0.00 3.90 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 8.30 4.89 1.80 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 1.39 0.87 0.73 0.00 0.00 34 N 9.86 4.09 0.00 2.73 2.84 0.00 0.00 7.19 7.93 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 35 N 8.12 3.97 0.00 2.88 2.85 0.00 0.00 6.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *39 A 7.38 4.80 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 40 S 8.03 4.36 0.00 3.70 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 41 L 8.19 5.00 0.00 1.38 1.41 0.88 0.76 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 42 C 8.37 4.90 0.00 2.23 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 43 S 8.67 5.48 0.00 3.82 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.84 2.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.14 0.00 0.00 45 G 8.98 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 46 F 8.03 5.20 0.00 3.08 2.98 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 47 S 8.90 4.85 0.00 3.93 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 9.22 5.04 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 0.79 0.00 0.00 0.96 0.00 0.00 48A T 8.99 4.99 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 1.21 0.00 0.00 48B R 8.97 4.38 0.00 1.16 1.64 0.00 3.34 0.00 0.00 3.10 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 48C G 8.59 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 48D A 8.63 4.22 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 8.13 4.32 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 8.43 4.76 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.92 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 8.66 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 0.00 0.00 0.00 0.00 52 F 8.33 5.69 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 8.97 4.71 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 0.92 0.00 0.00 1.31 0.00 0.00 54 T 8.70 5.31 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 1.31 0.00 0.00 55 A 8.90 4.45 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 56 G 8.96 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 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1.40 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 0.00 0.00 67 R 8.85 5.69 0.00 1.80 1.84 0.00 3.29 0.00 0.00 3.29 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 *80 I 8.25 4.25 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 0.84 0.93 0.00 0.00 81 G 9.54 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 82 G 8.48 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 83 A 7.66 4.70 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 8.39 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 9.19 4.32 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 0.81 0.00 0.00 1.09 0.00 0.00 86 G 7.02 4.15 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 1.66 1.86 0.00 100 G 8.40 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 101 N 7.55 5.23 0.00 2.72 3.10 0.00 0.00 6.27 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 9.45 5.85 0.00 3.01 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 9.24 5.21 0.00 2.16 2.26 0.00 3.05 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 1.72 1.92 0.00 104 A 8.67 5.22 1.46 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 0.00 0.00 0.00 105 W 8.20 5.34 0.00 3.25 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 0.00 106 V 7.83 3.88 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 0.33 0.00 0.00 -0.74 0.00 0.00 107 S 8.01 4.79 0.00 3.79 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.42 0.00 0.00 0.00 0.00 0.00 2.13 2.46 0.00 159 C 8.17 5.12 0.00 2.73 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 0.00 160 G 8.34 4.09 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 0.00 161 T 9.08 5.31 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 1.25 0.00 0.00 162 I 8.69 4.63 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 1.57 0.75 0.98 0.00 0.00 163 T 9.00 4.53 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 7.37 4.48 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 8.32 4.54 0.00 1.55 1.62 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.33 7.81 166 N 8.35 4.01 0.00 2.77 2.80 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 8.27 4.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.89 0.00 0.00 168 T 8.31 4.97 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 8.69 4.41 0.43 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 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.42 4.76 0.00 2.57 2.76 0.00 0.00 7.07 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 8.13 4.70 0.00 3.24 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 0.00 172 A 8.83 3.93 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 7.52 4.53 0.00 2.05 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 2.56 2.47 0.00 175 G 7.15 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 7.80 4.23 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 8.49 4.53 1.95 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 1.12 0.00 0.00 1.09 0.00 0.00 178 R 9.12 4.56 0.00 1.61 1.77 0.00 3.25 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 1.50 1.49 0.00 179 G 8.60 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 L 8.03 4.31 0.00 1.55 1.41 0.87 0.64 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 0.00 181 T 7.83 4.49 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 0.92 0.00 0.00 182 Q 9.21 4.88 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 183 G 9.12 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 8.86 5.07 0.00 3.07 3.05 0.00 0.00 7.27 6.99 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 *190 A 8.24 4.69 1.03 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 0.00 191 C 8.67 4.88 0.00 3.15 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 0.00 192 M 9.09 4.92 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 192A G 9.86 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192B R 8.45 4.16 0.00 1.71 1.89 0.00 3.13 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 193 G 9.12 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 0.00 0.00 0.00 0.00 194 D 8.47 4.53 0.00 2.89 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 7.89 4.53 0.00 3.90 3.84 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 0.00 196 G 9.00 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 0.00 197 G 7.90 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 0.00 0.00 0.00 198 S 8.35 4.39 0.00 3.65 3.27 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 0.00 199 W 9.21 4.97 0.00 2.77 2.55 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 0.00 200 I 9.22 5.16 2.16 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 1.45 1.07 0.00 0.00 201 T 8.71 4.81 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 1.27 0.00 0.00 202 S 8.81 4.28 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 7.64 4.12 1.40 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 0.00 0.00 *207 G 7.80 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 0.00 208 Q 8.00 4.80 0.00 2.04 2.23 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 2.34 2.46 0.00 209 A 9.04 4.32 0.52 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 0.00 210 Q 9.97 4.24 0.00 1.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 211 G 6.98 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 0.00 0.00 0.00 0.00 212 V 7.92 5.30 2.39 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 0.97 0.00 0.00 1.19 0.00 0.00 213 A 9.35 4.67 1.68 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 0.00 214 S 9.19 4.56 0.00 4.03 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 0.00 215 G 6.69 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 0.00 216 G 8.36 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 0.00 0.00 0.00 0.00 217 N 8.60 5.02 0.00 2.80 2.91 0.00 0.00 7.00 7.52 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 217A V 7.87 3.69 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 0.76 0.00 0.00 0.94 0.00 0.00 217B Q 8.59 4.54 0.00 2.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 217C S 8.54 4.12 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 8.16 4.58 0.00 2.85 2.95 0.00 0.00 6.16 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 9.46 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 0.00 218 N 8.31 5.29 0.00 3.09 2.91 0.00 0.00 6.45 6.90 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 0.00 219 N 8.29 5.18 0.00 2.79 3.15 0.00 0.00 7.03 9.03 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 0.00 220 C 8.97 4.41 0.00 3.10 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 4.01 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 0.00 221A I 7.26 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 1.58 0.83 0.92 0.00 0.00 221B P 0.00 4.38 0.00 2.25 2.23 0.00 3.88 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 8.88 4.05 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 8.16 4.14 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 8.37 4.52 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 224 R 7.81 4.49 0.00 1.86 1.92 0.00 3.39 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 1.80 0.00 225 S 9.89 4.61 0.00 3.84 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 0.00 226 S 8.94 5.29 0.00 4.39 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 0.00 227 L 9.69 5.17 0.00 1.56 1.46 0.94 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 8.08 5.30 0.00 2.79 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 E 9.53 4.61 0.00 2.21 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 0.00 2.54 2.46 0.00 230 R 8.77 4.50 0.00 1.77 1.93 0.00 3.20 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 231 L 9.12 4.20 0.00 1.93 1.67 1.05 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 0.00 0.00 0.00 0.00 232 Q 8.26 3.97 0.00 2.14 2.17 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 4.30 0.00 2.25 2.30 0.00 3.72 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 2.22 2.07 0.00 234 I 7.61 3.70 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 1.78 1.22 1.21 0.00 0.00 235 L 7.94 3.99 0.00 1.83 1.68 0.87 0.86 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 235A S 8.01 4.12 0.00 4.03 4.08 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 0.00 0.00 0.00 236 Q 7.92 3.79 0.00 1.82 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 1.49 2.13 0.00 237 Y 7.36 4.79 0.00 2.78 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 0.00 238 G 7.56 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 0.00 239 L 7.97 4.64 0.00 1.39 1.41 0.65 -0.41 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 8.85 4.77 0.00 3.63 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 4.39 0.00 1.57 1.51 0.76 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 242 V 8.35 4.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 1.00 0.00 0.00 243 T 8.57 4.90 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 1.18 0.00 0.00 244 G 8.64 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.