NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.1613 8.1844 122.4957 54.7466 42.3499 176.2276 4 V 3.7316 8.3430 127.6323 60.6100 31.2979 173.2087 5 P 4.0752 0.0000 0.0000 62.6960 32.4317 175.6563 6 R 2.8492 8.1018 123.9927 57.3328 30.2271 176.6445 7 G 3.7817 7.0280 113.6943 45.4117 0.0000 174.0313 8 S 4.5456 7.6887 115.3529 57.6454 65.2056 174.8777 9 L 4.2625 8.5317 123.1669 58.5568 41.8457 178.5570 10 D 4.4552 8.2659 118.4470 56.9335 40.6683 178.2395 11 W 4.1461 8.0910 128.8076 60.7852 30.6062 178.1583 12 F 4.1328 8.1220 117.2979 60.1472 38.2932 177.8513 13 K 3.9923 8.4858 118.2098 59.5011 31.7236 178.9935 14 A 4.0945 7.7048 119.3718 55.3005 18.2903 179.3451 15 L 3.8733 7.3638 117.0816 57.6965 41.6334 179.4819 16 F 3.9773 8.3914 120.7733 61.2660 39.2859 177.3374 17 W 4.2565 8.0821 118.2394 58.8959 28.5722 178.0809 18 K 4.1030 7.4159 117.1590 57.5527 32.7215 177.2265 19 E 3.8863 7.3314 120.8156 56.1747 29.8300 176.3280 20 E 4.4870 8.5011 124.8038 55.9919 29.7154 174.9402 21 M 4.7993 8.6038 126.4782 54.0083 36.4583 172.7113 22 E 5.2483 8.8718 126.2278 54.4049 32.5332 174.3436 23 L 5.3325 8.9706 125.6209 54.5171 44.7856 174.7204 24 T 5.1235 8.5921 114.5823 60.4074 70.2422 172.8096 25 L 5.2850 9.0605 130.1552 53.3040 44.7969 175.4360 26 V 4.6927 7.6272 124.7844 59.5314 35.3885 174.1663 27 G 3.4139 7.3068 108.6141 45.2458 0.0000 171.5378 28 L 4.4456 7.3249 119.2552 54.2019 42.7659 177.3764 29 Q 3.8626 8.1546 121.8094 57.2328 29.3870 176.2759 30 Y 3.9394 8.2862 119.8056 58.3898 35.3694 170.5960 31 S 4.1403 7.5941 115.6374 59.5796 63.4602 175.0610 32 G 4.2614 8.3844 110.5265 45.7165 0.0000 175.8311 33 K 3.9400 8.3657 121.4476 59.5445 32.0685 179.2526 34 T 3.9024 7.8627 115.4829 66.9227 68.4318 176.6196 35 T 3.9138 7.9382 117.1415 66.5189 68.4544 176.1231 36 F 4.1126 8.5224 122.7445 61.3434 39.4466 177.1872 37 V 3.4199 7.8626 117.6898 66.1474 31.0877 177.5286 38 N 4.4478 8.1046 116.0573 56.4157 38.3864 177.3996 39 V 3.6448 7.8590 119.6257 66.1474 31.4881 178.2566 40 I 3.7745 7.6392 111.7348 63.3535 37.7363 176.9360 41 A 4.2252 8.6846 121.0356 51.1302 18.5088 177.4659 42 S 3.4715 8.7149 112.4417 59.5734 60.9913 173.6041 43 G 4.0226 8.6374 106.6487 45.4942 0.0000 173.9574 44 Q 4.3260 7.7809 120.8382 54.1513 30.7281 174.1666 45 F 4.6772 7.6558 118.2563 56.3992 40.6147 172.6655 46 N 4.9465 9.0074 117.4411 51.8555 40.6471 174.0401 47 E 5.2623 8.6344 122.5960 54.7076 33.0701 174.1775 48 D 4.9535 8.9724 125.6298 52.5836 44.8220 175.2011 49 M 4.6362 8.8036 122.7612 55.7177 32.2643 176.3926 50 I 4.2776 8.0718 119.9528 61.7014 40.1795 176.4706 *56 N 4.6891 8.2555 117.0301 53.4437 40.6258 174.0926 57 M 3.9972 6.7890 118.0551 55.1622 33.4361 174.7919 58 R 4.9768 9.0841 125.1853 54.2519 33.7410 174.7492 59 K 4.8419 9.2184 126.0835 55.2881 33.5369 174.9038 60 I 5.1549 9.0097 130.3316 60.3406 38.9387 175.2533 61 T 5.2312 8.9561 117.1494 60.0099 72.1439 172.9258 62 K 4.3579 9.2729 123.4871 55.5481 36.0157 174.9049 63 G 3.7093 8.7933 115.7094 47.5784 0.0000 173.7658 64 N 4.7899 9.5367 122.7486 52.6869 38.8352 173.6269 65 V 4.6489 7.9665 119.8087 61.4988 33.9185 174.4164 66 T 5.1804 8.9015 121.9753 60.3540 70.4646 172.3147 67 I 4.9600 9.2459 129.5672 59.6103 40.1531 174.8551 68 K 4.9243 9.4041 128.1547 55.3116 33.0977 175.1039 69 L 5.7589 9.2301 128.9123 52.3055 44.2464 175.1944 70 W 5.4055 8.3133 121.5488 55.3533 31.5620 172.9707 71 D 4.9147 9.3340 122.3739 53.6414 41.5742 176.1103 72 I 3.8721 8.0160 124.3089 60.9548 39.2290 175.4037 73 G 3.9868 9.0170 113.2730 46.3377 0.0000 175.2368 74 G 4.1621 8.0963 112.7710 44.9533 0.0000 174.1517 75 Q 4.0984 8.9460 121.0465 55.4212 29.4566 175.0923 76 P 4.2505 0.0000 0.0000 65.9610 31.1549 178.8720 77 R 3.7324 7.7070 112.7596 58.4481 29.4737 177.7016 78 F 4.6015 7.6679 118.9886 57.9212 39.4568 178.4518 79 R 4.0781 7.5572 121.8009 61.7528 29.2628 184.1731 80 S 4.5947 7.9371 114.9726 60.6904 62.3363 175.8131 81 M 3.8787 7.6350 120.3609 58.3544 31.8030 178.1269 82 W 4.3576 7.4773 118.2777 59.7029 29.2387 178.1359 83 E 4.2198 8.3319 117.6637 59.4633 28.9631 179.3840 84 R 4.0040 8.2083 119.0073 58.9013 29.9372 178.0224 85 Y 4.3754 7.8770 118.3580 60.0646 39.0886 176.8105 86 C 4.3502 7.8081 116.7931 59.8782 28.5826 173.7110 87 R 4.0525 7.0890 120.2513 58.0089 30.0178 177.0037 88 G 3.9986 8.9123 110.9825 45.2279 0.0000 174.2554 89 V 3.9071 7.0100 112.0965 61.6561 32.0186 176.5358 90 S 4.4903 9.1997 119.0632 61.1948 63.5429 174.2827 91 A 4.8509 7.7923 118.7092 51.1363 22.6093 174.9677 92 I 4.8059 8.8249 121.2429 59.6050 39.9505 174.9710 93 V 4.4010 8.9318 128.0957 61.4331 33.3056 173.8221 94 Y 4.7143 8.8610 131.1119 56.0711 40.4974 173.9889 95 M 4.4587 8.0135 128.0770 54.7777 33.9347 174.9872 96 V 4.2922 8.4905 125.6372 60.9045 35.4246 174.1457 97 D 4.9150 8.6939 126.9448 53.7534 41.0084 176.3215 98 A 4.1413 9.1897 129.2957 53.5371 18.6049 178.3505 99 A 4.5190 8.0899 117.4423 51.9516 19.9887 177.3421 100 D 4.7488 7.6697 117.0043 51.9535 40.1424 176.4043 101 Q 4.0452 8.3043 123.7982 58.3306 29.2346 178.9706 102 E 4.0302 8.1130 114.3826 58.5132 30.0320 177.5953 103 K 4.3213 7.8078 118.1281 57.0588 33.0581 178.6464 104 I 3.6969 7.6247 121.3599 64.3245 36.9213 177.6670 105 E 3.8920 8.1855 119.3003 59.2281 29.4523 178.5255 106 A 3.9846 7.9544 120.2477 55.2079 18.5127 179.2272 107 S 4.1186 8.4033 112.0052 61.4104 62.3727 176.2829 108 K 3.8556 8.5414 122.4793 59.7875 32.0423 178.4734 109 N 4.3093 8.2863 116.6915 56.4424 38.3569 177.3431 110 E 4.0469 8.5817 120.2938 59.0190 29.5118 179.0541 111 L 3.3915 7.7720 120.4213 58.4425 41.8738 178.8107 112 H 4.0100 8.0728 114.7518 58.8201 28.7665 177.0578 113 N 4.4656 8.3331 118.9271 56.3757 38.7223 176.6645 114 L 4.0541 8.1458 121.9505 58.2714 42.1037 178.6406 115 L 4.3137 7.7877 115.7344 56.1781 41.6640 177.7897 116 D 4.7156 7.5134 118.2594 53.3763 41.5323 175.6683 117 K 4.6019 7.4257 120.7801 53.8349 34.0961 175.4670 118 P 4.2118 0.0000 0.0000 66.7217 31.2168 179.2732 *119 Q 4.0930 8.1553 115.8561 56.6639 27.7336 178.6790 120 L 4.6883 7.7569 114.6157 54.9149 41.9575 176.1999 121 Q 4.1079 7.8195 119.3590 57.3451 28.8531 177.3906 122 G 3.9859 8.9156 110.2683 45.5143 0.0000 173.6970 123 I 3.8579 7.1795 120.9768 60.3223 37.5780 174.2242 124 P 4.7554 0.0000 0.0000 63.0949 32.6455 175.1942 125 V 4.8511 8.9810 121.8941 61.0204 34.8325 173.7811 126 L 4.2229 8.5091 129.8160 52.9668 44.2313 174.9611 127 V 4.4438 8.5162 127.6599 61.7329 33.2197 174.4270 128 L 4.7909 8.6995 128.5980 53.0275 44.0780 176.2138 129 G 4.0109 9.1299 113.7391 45.2657 0.0000 172.3563 130 N 4.9369 9.3019 126.8773 53.3328 41.2345 174.3486 131 K 4.3603 8.5890 116.9723 57.2796 29.1474 178.4376 132 R 3.9762 7.9173 121.7475 59.1522 30.0993 177.4426 133 D 4.4740 8.0887 117.0130 55.7113 39.9503 176.2951 134 L 4.2240 7.9163 121.0989 53.2847 42.2457 174.6787 135 P 4.3917 0.0000 0.0000 64.1429 31.6595 176.9835 136 G 3.8906 8.9375 110.2882 44.8504 0.0000 173.3546 137 A 4.2391 7.4859 121.4316 52.0724 18.9169 177.8632 138 L 4.3329 8.7731 122.5768 55.3289 42.5040 177.2550 139 D 4.7819 9.1958 123.6448 52.0967 41.5666 177.2161 140 E 3.9359 8.7914 116.4584 59.4465 29.4033 179.1923 141 K 3.9234 8.0614 118.8300 59.4139 32.2449 178.9541 142 E 3.9952 8.8547 119.1168 59.4182 29.2676 179.5167 143 L 4.0143 8.2557 119.3289 57.7512 41.5999 179.3820 144 I 3.6390 8.0094 120.0983 64.5416 37.0103 177.8675 145 E 3.9106 8.0557 119.4624 59.3554 29.3737 179.0726 146 K 4.0331 8.5822 118.3020 59.2104 32.2611 178.4375 147 M 4.2331 8.1774 116.6754 54.2291 32.9789 175.2472 148 N 4.1709 8.1595 117.6422 54.5571 38.2089 175.8184 149 L 4.0738 8.1389 119.0709 57.3850 42.2395 180.2834 150 S 4.1578 8.0255 112.0829 60.7429 63.0673 175.3117 151 A 3.9995 7.6559 123.0214 54.0879 18.2532 177.3362 152 I 4.1345 7.3918 117.3172 60.5359 36.4565 175.3673 153 Q 4.4909 8.6534 125.0814 56.5350 30.2696 176.6467 *154 D 4.8188 8.0644 116.3060 52.6822 40.0209 180.9969 155 R 4.6589 7.2368 114.1169 55.6113 32.1691 173.9221 156 E 4.2246 8.6579 120.3043 56.2299 30.6469 175.1081 157 I 5.1045 8.3659 126.4495 59.4353 41.2474 173.6301 158 C 4.8618 8.8749 128.0316 57.7326 35.5501 172.0909 159 C 4.9661 8.2286 122.6649 57.9457 34.0831 172.5024 160 Y 5.0902 8.5682 123.4923 56.2429 41.2194 174.5162 161 S 5.1314 8.7159 118.0135 57.3697 63.6463 173.0593 162 I 4.9256 8.6601 119.5053 59.3686 41.8807 174.0189 163 S 4.6833 8.8368 116.7565 56.7975 64.7220 174.5170 164 C 4.2107 9.2019 126.2710 62.7911 28.3689 176.3833 165 K 4.0261 8.2103 119.5799 59.2773 31.8532 177.1539 166 E 4.3378 8.1844 114.7200 55.2565 30.2533 176.0108 167 K 3.8227 7.1690 116.5168 57.6541 30.1994 174.3891 168 D 4.8014 8.3368 118.0337 53.5869 43.1775 175.4933 169 N 4.3522 8.8345 121.2993 54.3985 36.6519 176.2740 170 I 3.9028 7.6219 122.0132 64.1063 37.1426 177.7346 171 D 4.1537 7.9648 120.0257 56.5005 39.2375 178.6968 172 I 3.7318 7.3945 114.1806 63.3406 37.6141 178.2347 173 T 4.1043 7.5255 117.1712 66.6516 68.3426 176.5804 174 L 3.7376 7.8414 120.8682 57.7416 41.5121 179.5824 175 Q 4.0858 7.9418 117.9978 58.6973 28.4384 178.6818 176 W 4.1375 8.1427 128.0548 60.4689 31.0989 177.6050 177 L 4.4498 8.4376 118.8470 58.0990 41.1691 179.4433 178 I 3.7387 8.4802 119.9432 64.7053 36.8969 178.1941 179 Q 3.9477 8.2393 119.0868 58.7093 28.7119 177.2540 180 H 4.5393 7.2370 114.5021 55.3900 29.1259 174.9157 181 S 4.2692 7.6862 123.3350 58.8551 62.4763 174.3685 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 3 L 8.18 4.16 0.00 1.63 1.70 0.91 0.61 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 4 V 8.34 3.73 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.02 0.00 0.00 5 P 0.00 4.08 0.00 2.21 1.98 0.00 3.71 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 6 R 8.10 2.85 0.00 1.18 1.34 0.00 2.82 0.00 0.00 2.86 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 7 G 7.03 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 8 S 7.69 4.55 0.00 4.17 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 9 L 8.53 4.26 0.00 1.89 1.81 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.27 4.46 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.09 4.15 0.00 3.43 3.20 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 12 F 8.12 4.13 0.00 3.16 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 13 K 8.49 3.99 0.00 2.13 2.16 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.75 1.72 7.81 14 A 7.70 4.09 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 15 L 7.36 3.87 0.00 1.68 1.62 0.58 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.39 3.98 0.00 2.96 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 17 W 8.08 4.26 0.00 3.46 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 18 K 7.42 4.10 0.00 1.94 1.93 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.59 1.44 7.81 19 E 7.33 3.89 0.00 1.82 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 0.00 2.42 2.31 0.00 20 E 8.50 4.49 0.00 1.95 1.87 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 2.25 2.29 0.00 21 M 8.60 4.80 0.00 1.91 1.70 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.50 0.00 22 E 8.87 5.25 0.00 2.05 1.75 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 2.25 2.24 0.00 23 L 8.97 5.33 0.00 1.95 1.80 1.11 0.55 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 24 T 8.59 5.12 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 1.40 0.00 0.00 25 L 9.06 5.29 0.00 1.78 1.51 0.72 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.63 4.69 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 0.92 0.00 0.00 -0.60 0.00 0.00 27 G 7.31 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 0.00 0.00 0.00 28 L 7.32 4.45 0.00 1.52 1.53 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.15 3.86 0.00 1.70 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.04 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 30 Y 8.29 3.94 0.00 3.20 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 31 S 7.59 4.14 0.00 3.79 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 32 G 8.38 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 33 K 8.37 3.94 0.00 1.74 1.81 0.00 1.44 0.00 0.00 1.45 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.35 7.81 34 T 7.86 3.90 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 1.29 0.00 0.00 35 T 7.94 3.91 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 1.26 0.00 0.00 36 F 8.52 4.11 0.00 3.14 3.22 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 37 V 7.86 3.42 2.02 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 0.10 0.00 0.00 1.00 0.00 0.00 38 N 8.10 4.45 0.00 3.08 2.94 0.00 0.00 6.71 7.20 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 39 V 7.86 3.64 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 1.00 0.00 0.00 1.06 0.00 0.00 40 I 7.64 3.77 1.59 0.00 0.00 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 1.04 0.95 0.12 0.00 0.00 41 A 8.68 4.23 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 42 S 8.71 3.47 0.00 4.06 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 43 G 8.64 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 44 Q 7.78 4.33 0.00 1.92 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 45 F 7.66 4.68 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 9.01 4.95 0.00 2.68 2.76 0.00 0.00 6.78 8.34 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 47 E 8.63 5.26 0.00 2.22 1.83 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 2.24 2.42 0.00 48 D 8.97 4.95 0.00 2.63 2.51 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 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0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.60 0.90 7.81 63 G 8.79 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 64 N 9.54 4.79 0.00 2.79 2.80 0.00 0.00 6.91 8.35 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 65 V 7.97 4.65 2.62 0.00 0.00 0.00 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 0.48 0.00 0.00 66 T 8.90 5.18 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 1.22 0.00 0.00 67 I 9.25 4.96 2.01 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 1.03 0.00 0.00 68 K 9.40 4.92 0.00 1.74 1.90 0.00 1.39 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.39 1.34 7.81 69 L 9.23 5.76 0.00 1.78 1.70 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 70 W 8.31 5.41 0.00 3.26 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 71 D 9.33 4.91 0.00 2.59 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 72 I 8.02 3.87 1.34 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.72 0.81 0.00 0.00 73 G 9.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.10 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 0.00 0.00 0.00 0.00 75 Q 8.95 4.10 0.00 2.20 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 76 P 0.00 4.25 0.00 2.08 2.10 0.00 3.55 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 77 R 7.71 3.73 0.00 1.58 1.77 0.00 2.33 0.00 0.00 2.84 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 78 F 7.67 4.60 0.00 2.89 1.80 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 79 R 7.56 4.08 0.00 1.77 1.95 0.00 3.28 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 80 S 7.94 4.59 0.00 3.86 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 81 M 7.64 3.88 0.00 1.51 1.72 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 1.82 0.00 82 W 7.48 4.36 0.00 2.66 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.33 4.22 0.00 2.33 2.45 0.00 0.00 0.00 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 2.41 0.00 84 R 8.21 4.00 0.00 1.98 2.05 0.00 3.13 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 85 Y 7.88 4.38 0.00 3.13 3.16 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 86 C 7.81 4.35 0.00 3.26 3.08 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 87 R 7.09 4.05 0.00 1.84 1.90 0.00 3.16 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 88 G 8.91 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 89 V 7.01 3.91 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 0.75 0.00 0.00 1.10 0.00 0.00 90 S 9.20 4.49 0.00 3.90 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 91 A 7.79 4.85 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 8.82 4.81 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.88 0.98 0.00 0.00 93 V 8.93 4.40 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.91 0.00 0.00 94 Y 8.86 4.71 0.00 2.95 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 95 M 8.01 4.46 0.00 1.86 1.57 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 96 V 8.49 4.29 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 0.87 0.00 0.00 1.04 0.00 0.00 97 D 8.69 4.91 0.00 2.77 2.57 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 98 A 9.19 4.14 1.41 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 99 A 8.09 4.52 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 0.00 100 D 7.67 4.75 0.00 2.90 2.57 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 0.00 101 Q 8.30 4.05 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 102 E 8.11 4.03 0.00 2.08 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 0.00 2.46 2.34 0.00 103 K 7.81 4.32 0.00 1.80 1.89 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.43 7.81 104 I 7.62 3.70 1.98 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 1.60 0.79 0.91 0.00 0.00 105 E 8.19 3.89 0.00 2.03 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 2.37 2.37 0.00 106 A 7.95 3.98 1.34 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 0.00 107 S 8.40 4.12 0.00 3.98 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 0.00 108 K 8.54 3.86 0.00 1.84 2.01 0.00 1.59 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.65 7.81 109 N 8.29 4.31 0.00 2.96 2.86 0.00 0.00 7.13 7.21 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 0.00 110 E 8.58 4.05 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 111 L 7.77 3.39 0.00 0.56 1.47 0.21 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 112 H 8.07 4.01 0.00 3.11 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0.92 0.00 0.00 0.00 0.00 0.00 0.00 129 G 9.13 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 0.00 130 N 9.30 4.94 0.00 2.73 2.86 0.00 0.00 7.16 6.65 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 0.00 131 K 8.59 4.36 0.00 2.03 1.91 0.00 2.27 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.36 7.81 132 R 7.92 3.98 0.00 2.09 2.04 0.00 3.38 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 133 D 8.09 4.47 0.00 2.86 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 0.00 134 L 7.92 4.22 0.00 1.83 1.62 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.39 0.00 2.03 1.99 0.00 3.70 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 2.08 0.00 136 G 8.94 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 0.00 137 A 7.49 4.24 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 0.00 138 L 8.77 4.33 0.00 1.49 1.62 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 139 D 9.20 4.78 0.00 2.79 2.81 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 0.00 140 E 8.79 3.94 0.00 2.32 2.28 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 2.38 2.40 0.00 141 K 8.06 3.92 0.00 1.96 1.90 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.48 7.81 142 E 8.85 4.00 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 143 L 8.26 4.01 0.00 1.79 1.69 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.01 3.64 2.01 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 1.37 0.72 0.89 0.00 0.00 145 E 8.06 3.91 0.00 2.09 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 2.30 2.38 0.00 146 K 8.58 4.03 0.00 1.70 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.64 1.62 7.81 147 M 8.18 4.23 0.00 1.93 2.16 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 148 N 8.16 4.17 0.00 2.91 2.76 0.00 0.00 7.13 6.71 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 0.00 149 L 8.14 4.07 0.00 1.70 1.64 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.03 4.16 0.00 3.97 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 0.00 151 A 7.66 4.00 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 0.00 152 I 7.39 4.13 1.95 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 1.21 0.51 0.85 0.00 0.00 153 Q 8.65 4.49 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.21 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 *154 D 8.06 4.82 0.00 2.71 2.58 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 0.00 0.00 0.00 0.00 155 R 7.24 4.66 0.00 1.88 1.89 0.00 2.97 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00 156 E 8.66 4.22 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.40 0.00 157 I 8.37 5.10 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.09 0.87 0.00 0.00 158 C 8.87 4.86 0.00 3.05 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 0.00 0.00 0.00 159 C 8.23 4.97 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 Y 8.57 5.09 0.00 2.74 2.59 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 0.00 161 S 8.72 5.13 0.00 3.88 3.76 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 0.00 162 I 8.66 4.93 2.00 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 1.06 0.76 0.99 0.00 0.00 163 S 8.84 4.68 0.00 3.88 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 0.00 164 C 9.20 4.21 0.00 3.12 3.03 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 0.00 165 K 8.21 4.03 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.47 7.81 166 E 8.18 4.34 0.00 2.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.13 0.00 167 K 7.17 3.82 0.00 1.93 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.37 7.81 168 D 8.34 4.80 0.00 2.71 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 0.00 169 N 8.83 4.35 0.00 2.98 2.70 0.00 0.00 7.17 7.32 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 0.00 170 I 7.62 3.90 1.87 0.00 0.00 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 1.72 1.09 0.84 0.00 0.00 171 D 7.96 4.15 0.00 2.36 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.39 3.73 1.44 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.12 0.67 0.00 0.00 173 T 7.53 4.10 4.52 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 1.31 0.00 0.00 174 L 7.84 3.74 0.00 1.74 1.63 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 7.94 4.09 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.55 1.72 0.00 176 W 8.14 4.14 0.00 3.63 3.47 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 0.00 177 L 8.44 4.45 0.00 2.04 2.11 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 8.48 3.74 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.04 0.94 0.00 0.00 179 Q 8.24 3.95 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.10 0.00 0.00 0.00 0.00 0.00 2.01 2.26 0.00 180 H 7.24 4.54 0.00 2.72 3.03 0.00 5.94 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 S 7.69 4.27 0.00 3.83 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 * Residues marked with a * may have inaccurate shift predictions.