NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4010 8.3344 117.0963 56.9392 64.8971 172.3351 9 M 4.0046 7.3429 116.3587 53.7266 33.1343 173.4751 10 A 4.5178 7.7123 126.3135 52.4075 21.0450 175.2785 11 H 4.6895 7.4611 109.5700 54.7652 31.3364 173.1772 12 G 4.0369 8.2367 109.2418 43.8082 0.0000 170.9617 13 P 4.2043 0.0000 0.0000 63.2271 31.3305 175.7807 14 G 4.1213 8.3368 111.1887 43.7849 0.0000 171.2210 15 A 4.4539 8.0796 120.9122 50.1226 22.1898 175.8381 16 L 3.9751 8.3333 120.8748 56.3421 42.9902 175.3965 17 M 5.2125 8.7203 124.9550 53.8466 34.2875 174.5555 18 L 5.0325 9.2945 125.7855 52.8362 45.3361 175.0794 19 K 4.9337 9.6175 124.7103 54.8908 34.3689 174.3206 20 C 5.0964 9.4675 128.1721 57.7248 34.2654 172.5079 21 V 4.9728 8.2650 126.5002 61.2378 34.1907 174.2785 22 V 4.8496 8.6637 126.6878 61.4040 33.6490 174.8918 23 V 4.5018 9.5897 120.0159 58.8656 36.4491 175.1458 24 G 3.5286 6.8133 109.2296 43.7629 0.0000 171.7930 25 D 4.8587 8.2454 119.5250 53.9327 41.3506 176.6860 26 G 3.7457 8.7326 109.8256 47.7155 0.0000 173.3786 27 A 3.7834 8.8064 124.4500 52.6613 16.0169 178.9121 28 V 3.8532 7.4446 110.3488 62.9939 32.2796 176.8706 29 G 4.0264 8.0941 108.5877 46.0591 0.0000 176.4030 30 K 3.8894 8.2486 119.7270 59.5090 32.4666 178.7633 31 T 3.9463 7.7735 115.3545 67.0756 68.4660 176.4003 32 C 3.9188 7.8833 117.9445 62.2897 28.1030 175.7795 33 L 3.9885 7.8176 121.9942 58.2603 41.7523 179.0639 34 L 3.9895 7.8439 118.8938 57.9858 41.4879 179.5722 35 M 3.1960 7.6294 118.5845 58.1189 31.4705 178.7857 36 S 4.8020 7.8711 114.5986 60.8306 62.2693 175.6413 37 Y 4.0991 7.7605 121.3875 60.7543 38.6896 177.4629 38 A 3.8242 7.7022 120.1843 54.2153 17.1342 178.3143 39 N 4.6314 8.0565 112.3219 51.7544 39.2303 174.4619 40 D 4.5040 7.6389 118.1080 54.2319 40.6091 172.7744 41 A 4.5181 7.0520 115.3807 50.8714 22.5670 176.0043 42 F 4.5868 8.6666 122.7947 56.4497 40.1674 173.6515 43 P 4.0792 0.0000 0.0000 63.4258 31.0875 175.7067 44 E 4.7581 8.7578 121.5201 56.1461 31.3893 175.9308 45 E 4.5941 7.6911 117.7809 56.6191 29.3510 178.1960 46 Y 4.4932 8.8454 127.4500 56.4751 40.2661 174.1279 47 V 4.1852 7.3973 125.8893 60.2971 33.3324 173.4742 48 P 4.7814 0.0000 0.0000 61.8714 32.8064 176.4727 49 T 3.8310 8.6174 115.0843 66.0455 68.3098 175.0898 50 V 4.4016 7.3779 119.9027 60.3649 33.5245 174.7901 51 F 4.4828 8.7949 129.8510 58.3020 39.7945 174.6255 52 D 4.3885 7.5587 125.7257 53.9749 41.3757 175.9096 53 H 4.0658 8.0561 118.3987 56.4492 29.2991 174.2443 54 Y 4.6744 8.1134 121.4335 56.4219 42.8094 173.1942 55 A 5.8274 7.4839 123.1728 49.8532 22.5490 175.8453 56 V 4.6172 8.3525 113.4584 59.1501 35.5912 175.2598 57 S 4.8062 8.6932 119.1386 58.6532 63.9742 173.5194 58 V 4.7209 8.5718 115.0689 59.9225 36.4063 174.6145 59 T 4.4989 8.4549 119.3840 63.4450 70.8819 174.7118 *60 V 3.7893 9.3533 127.1890 60.8984 32.4523 173.0494 61 G 4.2119 8.0584 110.4104 45.0153 0.0000 173.8016 62 G 3.9307 8.4232 105.3606 44.8468 0.0000 172.9080 63 K 4.4290 7.7125 120.8711 54.3305 34.3884 174.9302 64 Q 4.7759 8.0957 124.5030 55.8848 30.1098 174.3677 65 Y 5.0130 8.4433 117.5977 56.6518 43.6153 173.9355 66 L 5.1563 9.0017 119.9024 53.0596 45.5329 175.5647 67 L 4.9473 9.0399 126.9881 53.4366 43.7871 175.4437 68 G 4.2655 9.7803 116.4645 45.8929 0.0000 171.8272 69 L 5.3631 8.9452 126.3189 53.4608 44.0771 175.1812 70 Y 4.8650 9.2177 122.7562 56.1852 40.5182 174.6940 71 D 5.2793 8.9189 124.6519 53.5857 42.6731 175.1736 72 T 4.9167 8.2026 112.8653 59.8634 72.3608 172.9620 73 A 4.5133 8.3698 124.3283 50.2358 20.2934 177.4235 74 G 4.1399 8.6799 108.6097 46.4788 0.0000 173.3219 75 Q 4.3812 7.7542 120.1162 55.7536 29.6932 176.3519 76 E 4.6472 8.8142 116.5596 56.5966 30.0569 176.3016 77 D 4.8642 8.2854 116.7011 53.3070 40.5694 175.9430 78 Y 4.5787 8.1081 116.1308 57.9148 38.5340 175.9192 79 D 4.5518 7.8270 118.4365 57.6643 41.5740 178.4638 80 R 3.9330 8.2118 116.1377 59.3361 30.1046 177.6922 81 L 4.4894 7.7204 114.7484 54.4707 42.3712 178.4664 82 R 3.8953 7.7336 120.8866 58.9663 30.2885 177.0771 83 P 2.9700 0.0000 0.0000 64.4152 31.3586 178.3214 84 L 3.9658 7.1979 117.9571 57.6675 41.5568 178.7366 85 S 4.3855 7.7649 113.4353 60.9177 63.2106 175.2163 86 Y 4.6438 8.1133 118.9431 60.2362 37.8922 174.6231 87 P 4.3610 0.0000 0.0000 64.3823 31.7865 175.6856 88 M 3.1876 8.7508 119.7363 56.5487 29.3029 176.8236 89 T 3.9587 7.2833 114.2277 63.5434 69.0934 174.6984 90 D 4.7090 8.3617 126.0463 56.4690 42.0920 177.5537 91 V 4.6260 7.1677 116.6174 60.5029 34.7572 173.3994 92 F 5.1775 9.0153 123.1877 56.4560 41.2536 174.5778 93 L 4.9289 8.8415 122.7838 53.5418 43.7137 175.6091 94 I 4.5159 8.8026 125.5244 60.2056 38.2866 174.4180 95 C 5.6818 9.0855 126.3078 57.5617 30.1581 173.1879 96 F 5.1287 8.2156 116.8562 54.9446 41.4082 173.7224 97 S 5.1356 8.6378 115.4136 57.5186 63.2991 175.3074 98 V 4.1490 8.7062 119.4134 63.0858 31.4599 177.6379 99 V 4.6211 7.6812 111.9184 60.8034 32.5120 175.7021 100 N 4.9529 7.9551 120.6699 50.2380 38.8460 172.8818 101 P 4.4867 0.0000 0.0000 64.2937 31.6192 177.7555 102 A 4.0332 7.8072 120.2461 55.1235 18.1360 179.3728 103 S 4.6349 7.9055 112.4486 61.1322 63.1618 176.2236 104 F 3.9448 8.4077 123.8382 60.9449 39.2194 176.8335 105 Q 3.8317 8.0179 116.1848 58.5659 28.6543 177.4130 106 N 4.5459 8.2959 117.9937 55.1191 38.4568 177.1853 107 V 3.8657 7.5602 120.6728 65.6477 31.4440 177.4083 108 K 4.0817 7.3785 116.8270 57.8453 32.6690 177.3277 109 E 4.0579 8.1508 118.6577 58.4652 30.3699 176.4893 110 E 4.0906 8.0318 117.5999 57.7738 30.4883 177.8908 111 W 4.2600 7.4867 118.0884 59.6823 29.4039 178.6706 112 V 3.3050 7.7523 118.0478 65.5587 30.7901 175.8954 113 P 4.1263 0.0000 0.0000 65.8937 31.3215 177.7341 114 E 4.1022 7.8752 117.1774 59.0907 29.4591 178.8712 115 L 3.6366 7.8295 118.9460 57.6798 41.5464 179.5329 116 K 3.9745 7.5523 116.0788 58.3041 31.9266 178.6616 117 E 3.8922 7.4855 119.9280 58.7469 29.8170 176.6707 118 Y 4.6862 7.5466 111.6450 57.9483 39.7757 176.1733 119 A 4.8198 8.0379 120.6263 51.2037 21.1767 174.3670 120 P 4.3719 0.0000 0.0000 65.1969 32.1765 178.3837 121 N 4.8124 8.1127 113.9733 52.5561 38.5896 174.3837 122 V 4.2951 7.6840 118.9805 60.4864 32.8021 173.8899 123 P 4.9189 0.0000 0.0000 63.1308 32.8330 174.9490 124 F 5.5485 8.1712 114.0195 55.8699 41.5847 173.0148 125 L 4.8818 8.9460 119.8299 53.0445 45.0486 175.0794 126 L 5.0538 8.7044 123.8945 54.0253 43.9635 175.1798 127 I 4.7402 8.8100 127.4303 59.3680 40.1539 174.8207 128 G 3.5143 8.2255 115.6595 45.2759 0.0000 172.8153 129 T 4.8075 8.1884 114.9068 59.6391 72.5742 173.7165 130 Q 3.5836 8.3636 117.1725 57.0898 26.1086 176.0282 131 I 3.9044 7.3884 112.0104 63.0919 38.2558 177.8081 132 D 4.3528 8.0275 120.0939 56.0570 39.1199 177.0157 133 L 4.2921 7.6593 117.7261 55.0310 41.8907 177.6921 134 R 4.0087 7.8922 120.7702 58.5913 30.5720 176.7070 135 D 4.9245 7.7761 114.5781 52.0791 39.4195 176.2314 136 D 4.7472 7.6281 118.4905 52.7162 43.4381 173.0751 137 P 4.2096 0.0000 0.0000 65.8195 30.9040 178.2826 138 K 3.9075 7.9932 117.3681 59.9117 32.0681 178.6835 139 T 3.9008 7.7984 115.9356 66.7723 68.2113 176.6799 140 L 4.0113 8.2083 120.6665 57.5761 41.3752 179.2644 141 A 4.0628 7.7754 119.6418 54.4298 18.3825 179.1711 142 R 4.0720 7.6890 116.7630 59.0104 30.2071 178.5415 143 L 4.0514 7.6723 118.8785 58.0537 41.8928 179.3123 144 N 4.5624 7.9398 115.6532 55.6643 38.1583 177.1976 145 D 4.4518 7.5054 119.2943 56.7942 40.9555 177.2854 146 M 4.4960 7.7855 114.0505 54.8454 31.7258 175.5907 147 K 3.8809 7.7834 115.7286 58.4661 30.1341 175.1833 148 E 4.8029 8.1790 114.6100 54.3572 32.3953 174.5542 149 K 4.7133 8.0591 117.4598 53.4133 36.0056 174.4072 150 P 4.4797 0.0000 0.0000 62.8450 31.7376 176.7679 151 I 3.7507 8.3987 124.7619 62.0213 37.9703 175.0750 152 C 4.8206 8.2238 119.1842 55.9379 32.9041 174.8459 153 V 3.6696 8.4896 118.4019 66.4726 30.8690 177.9516 154 E 4.0038 8.0352 117.7012 59.1471 29.3296 178.9889 155 Q 4.0342 7.9878 117.8895 58.8058 28.8008 178.6665 156 G 2.9594 7.4651 106.2199 47.9942 0.0000 175.7250 157 Q 4.0681 7.7162 120.7400 58.2317 28.7634 178.6657 158 K 3.9951 8.2900 120.8665 58.8242 32.1491 178.8685 159 L 3.9062 8.2676 121.0040 58.1134 42.1511 178.7821 160 A 4.1820 8.0970 120.1939 54.4748 18.0135 179.5797 161 K 4.0111 7.8399 117.6275 59.1692 32.1239 178.9750 162 E 4.0090 7.8833 117.7905 58.9076 29.5438 178.5913 163 I 4.3730 7.4933 109.1950 59.6179 38.4613 175.5087 164 G 3.8017 7.8170 108.1365 46.7105 0.0000 174.2840 165 A 3.0597 7.3906 120.7555 51.1754 19.1854 178.6911 166 C 4.1404 8.2824 118.6252 62.7920 28.4896 173.4740 167 C 4.6837 7.3110 112.0912 58.0207 32.4082 171.7713 168 Y 5.7680 8.5959 120.0630 55.3319 39.9783 174.8029 169 V 4.3107 7.7719 125.3979 60.8090 35.3788 173.6012 170 E 5.4514 7.9964 122.5462 53.7566 33.2084 173.6181 171 C 4.7500 7.7023 112.1652 57.7782 32.9481 172.3227 172 S 4.8773 8.4264 114.3916 56.2949 64.0255 174.8786 173 A 4.1413 8.9607 130.2909 55.1513 18.6617 178.2603 174 L 3.2668 7.9307 117.1322 57.4829 42.1153 177.5529 175 T 4.3045 7.5189 104.8774 60.5812 69.5132 174.5227 176 Q 3.5999 8.1753 120.0534 56.4867 27.3022 172.8122 177 K 4.0637 7.6077 121.0820 57.4613 32.8038 177.9089 178 G 4.0914 8.8389 114.0081 47.1259 0.0000 175.3903 179 L 3.9760 7.6815 119.8839 57.9496 41.6472 179.2098 180 K 4.1240 8.2657 118.8855 60.0172 31.9603 178.7267 181 T 3.8797 7.7087 115.6069 66.2161 68.4181 176.4681 182 V 3.2322 7.5932 120.2229 66.2142 31.3674 178.2095 183 F 3.8405 7.4385 117.0291 60.3275 38.8095 177.3618 184 D 4.4465 8.2223 118.6098 57.7985 40.5866 178.8503 185 E 4.1229 8.5995 117.9256 58.2045 29.3450 178.9518 186 A 3.9353 7.7130 120.9652 55.0289 18.7751 179.4097 187 I 3.7654 7.8547 118.4757 64.5141 37.1418 178.7146 188 I 3.6767 7.8097 120.5083 64.2657 36.6543 178.3877 189 A 4.0181 7.5722 120.8747 54.8524 18.1899 179.5331 190 I 3.7578 7.2548 117.6697 64.6100 37.3291 178.2890 191 L 4.2885 7.6594 117.1199 55.7358 41.7757 177.3569 192 T 3.8555 7.2325 118.5181 63.5940 68.6095 173.1811 193 P 4.4575 0.0000 0.0000 62.2820 30.8473 172.5274 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 8 S 8.33 4.40 0.00 3.65 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 9 M 7.34 4.00 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.67 0.00 10 A 7.71 4.52 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 7.46 4.69 0.00 3.16 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.24 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 13 P 0.00 4.20 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 14 G 8.34 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 0.00 0.00 0.00 15 A 8.08 4.45 1.14 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 16 L 8.33 3.98 0.00 1.80 1.77 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 M 8.72 5.21 0.00 2.09 1.95 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 2.53 2.61 0.00 18 L 9.29 5.03 0.00 1.59 1.51 0.73 0.60 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 19 K 9.62 4.93 0.00 1.72 1.54 0.00 0.97 0.00 0.00 1.44 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.93 7.81 20 C 9.47 5.10 0.00 3.03 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 21 V 8.27 4.97 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 1.29 0.00 0.00 0.80 0.00 0.00 22 V 8.66 4.85 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 0.91 0.00 0.00 1.05 0.00 0.00 23 V 9.59 4.50 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 0.81 0.00 0.00 0.56 0.00 0.00 24 G 6.81 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 25 D 8.25 4.86 0.00 2.97 2.77 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 26 G 8.73 3.75 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 0.00 0.00 0.00 27 A 8.81 3.78 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 28 V 7.44 3.85 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 0.80 0.00 0.00 1.03 0.00 0.00 29 G 8.09 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 30 K 8.25 3.89 0.00 1.78 1.84 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.47 7.81 31 T 7.77 3.95 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 1.20 0.00 0.00 32 C 7.88 3.92 0.00 2.93 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 33 L 7.82 3.99 0.00 1.88 1.95 0.86 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.84 3.99 0.00 1.68 1.66 1.11 1.17 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 35 M 7.63 3.20 0.00 1.63 1.68 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.15 0.00 36 S 7.87 4.80 0.00 3.95 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 37 Y 7.76 4.10 0.00 2.93 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 38 A 7.70 3.82 0.85 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 39 N 8.06 4.63 0.00 2.69 2.74 0.00 0.00 6.76 7.70 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 40 D 7.64 4.50 0.00 2.66 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.05 4.52 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 8.67 4.59 0.00 2.88 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 43 P 0.00 4.08 0.00 1.67 1.78 0.00 2.42 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 44 E 8.76 4.76 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 45 E 7.69 4.59 0.00 1.95 1.12 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 2.23 2.22 0.00 46 Y 8.85 4.49 0.00 2.92 2.77 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 47 V 7.40 4.19 1.82 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 0.73 0.00 0.00 0.69 0.00 0.00 48 P 0.00 4.78 0.00 2.43 2.20 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 49 T 8.62 3.83 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 0.86 0.00 0.00 50 V 7.38 4.40 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 0.89 0.00 0.00 0.65 0.00 0.00 51 F 8.79 4.48 0.00 2.84 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 52 D 7.56 4.39 0.00 2.28 2.36 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 53 H 8.06 4.07 0.00 2.82 2.73 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.11 4.67 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.48 5.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.35 4.62 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 0.86 0.00 0.00 1.03 0.00 0.00 57 S 8.69 4.81 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0.00 0.00 0.00 0.00 0.00 74 G 8.68 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 75 Q 7.75 4.38 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 76 E 8.81 4.65 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 77 D 8.29 4.86 0.00 2.57 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 78 Y 8.11 4.58 0.00 3.08 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 79 D 7.83 4.55 0.00 2.71 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 80 R 8.21 3.93 0.00 1.81 1.97 0.00 3.40 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 81 L 7.72 4.49 0.00 1.69 1.65 0.84 0.78 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 82 R 7.73 3.90 0.00 2.16 1.85 0.00 3.47 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.69 0.00 83 P 0.00 2.97 0.00 1.66 0.65 0.00 3.49 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.51 0.00 84 L 7.20 3.97 0.00 1.72 1.73 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.76 4.39 0.00 4.12 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 86 Y 8.11 4.64 0.00 3.12 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.36 0.00 2.06 2.04 0.00 3.92 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 88 M 8.75 3.19 0.00 2.15 2.13 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 2.49 2.55 0.00 89 T 7.28 3.96 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 0.19 0.00 0.00 90 D 8.36 4.71 0.00 2.62 2.67 0.00 0.00 0.00 0.00 0.00 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7.56 3.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.06 0.00 0.00 108 K 7.38 4.08 0.00 1.66 1.71 0.00 1.75 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.31 7.81 109 E 8.15 4.06 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.18 0.00 110 E 8.03 4.09 0.00 1.80 1.12 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 1.73 1.98 0.00 111 W 7.49 4.26 0.00 3.45 3.14 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 0.00 112 V 7.75 3.30 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 0.98 0.00 0.00 0.97 0.00 0.00 113 P 0.00 4.13 0.00 2.07 2.05 0.00 3.66 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 114 E 7.88 4.10 0.00 2.13 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 2.74 2.71 0.00 115 L 7.83 3.64 0.00 1.30 1.15 0.20 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.98 0.00 124 F 8.17 5.55 0.00 3.24 3.24 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 0.00 125 L 8.95 4.88 0.00 1.59 1.52 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.70 5.05 0.00 1.92 1.91 1.34 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 127 I 8.81 4.74 1.74 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.72 0.67 0.00 0.00 128 G 8.23 3.51 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 0.00 129 T 8.19 4.81 4.19 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 1.07 0.00 0.00 130 Q 8.36 3.58 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 131 I 7.39 3.90 1.84 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 1.30 0.58 0.88 0.00 0.00 132 D 8.03 4.35 0.00 2.73 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 0.00 133 L 7.66 4.29 0.00 1.87 1.73 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.89 4.01 0.00 2.04 1.95 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 135 D 7.78 4.92 0.00 2.74 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 0.00 136 D 7.63 4.75 0.00 2.77 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 0.00 137 P 0.00 4.21 0.00 2.18 2.11 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 138 K 7.99 3.91 0.00 1.81 1.80 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.53 7.81 139 T 7.80 3.90 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 1.25 0.00 0.00 140 L 8.21 4.01 0.00 1.81 1.71 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.78 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 0.00 142 R 7.69 4.07 0.00 2.06 1.93 0.00 3.12 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 143 L 7.67 4.05 0.00 1.89 1.87 1.01 0.87 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 0.00 144 N 7.94 4.56 0.00 2.74 2.87 0.00 0.00 7.11 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 0.00 145 D 7.51 4.45 0.00 2.83 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 0.00 146 M 7.79 4.50 0.00 2.12 2.15 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 2.50 2.61 0.00 147 K 7.78 3.88 0.00 1.96 1.95 0.00 1.53 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.40 7.81 148 E 8.18 4.80 0.00 2.04 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 0.00 2.27 2.25 0.00 149 K 8.06 4.71 0.00 1.69 1.70 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.40 7.81 150 P 0.00 4.48 0.00 1.92 1.99 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 151 I 8.40 3.75 1.89 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.03 0.35 0.00 0.00 152 C 8.22 4.82 0.00 2.93 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 0.00 153 V 8.49 3.67 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.10 0.00 0.00 154 E 8.04 4.00 0.00 2.06 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 0.00 2.39 2.45 0.00 155 Q 7.99 4.03 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 156 G 7.47 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 0.00 0.00 0.00 157 Q 7.72 4.07 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 158 K 8.29 4.00 0.00 1.96 1.90 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 159 L 8.27 3.91 0.00 2.06 1.71 0.47 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 160 A 8.10 4.18 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.84 4.01 0.00 1.91 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 162 E 7.88 4.01 0.00 2.25 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 2.34 2.33 0.00 163 I 7.49 4.37 2.07 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 1.68 0.94 0.98 0.00 0.00 164 G 7.82 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 0.00 165 A 7.39 3.06 1.11 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 0.00 166 C 8.28 4.14 0.00 2.85 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 0.00 167 C 7.31 4.68 0.00 2.94 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 0.00 168 Y 8.60 5.77 0.00 2.99 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 0.00 169 V 7.77 4.31 1.79 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 0.76 0.00 0.00 0.77 0.00 0.00 170 E 8.00 5.45 0.00 1.96 1.57 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 2.11 2.01 0.00 171 C 7.70 4.75 0.00 3.08 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 0.00 172 S 8.43 4.88 0.00 3.91 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 0.00 173 A 8.96 4.14 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 0.00 174 L 7.93 3.27 0.00 1.10 1.44 -0.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 175 T 7.52 4.30 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 1.12 0.00 0.00 176 Q 8.18 3.60 0.00 2.41 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 177 K 7.61 4.06 0.00 1.72 1.65 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.37 7.81 178 G 8.84 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 0.00 179 L 7.68 3.98 0.00 2.04 1.93 1.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 180 K 8.27 4.12 0.00 1.94 1.89 0.00 1.78 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.77 1.68 7.81 181 T 7.71 3.88 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 182 V 7.59 3.23 1.69 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 0.12 0.00 0.00 0.72 0.00 0.00 183 F 7.44 3.84 0.00 2.65 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 0.00 184 D 8.22 4.45 0.00 2.93 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 0.00 185 E 8.60 4.12 0.00 1.89 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 0.00 2.32 2.39 0.00 186 A 7.71 3.94 1.26 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 0.00 187 I 7.85 3.77 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.08 0.68 0.00 0.00 188 I 7.81 3.68 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.33 0.88 0.00 0.00 189 A 7.57 4.02 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 0.00 190 I 7.25 3.76 1.89 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 1.62 0.70 0.83 0.00 0.00 191 L 7.66 4.29 0.00 1.51 1.68 0.70 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 192 T 7.23 3.86 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 193 P 0.00 4.46 0.00 2.09 1.81 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 * Residues marked with a * may have inaccurate shift predictions.