NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7601 8.2833 118.1284 52.3560 39.3636 174.0481 3 L 3.8174 8.2576 122.8245 57.4381 42.2858 176.4803 4 E 4.0217 9.2199 118.3648 59.0384 30.3441 177.8535 5 K 4.5434 7.9294 116.5839 56.0926 32.6954 175.7718 6 L 4.4537 7.5108 121.2445 52.6254 43.3058 174.9388 7 E 3.8521 8.8546 127.3194 56.6457 29.4884 176.0469 8 V 4.0661 8.0616 126.1709 60.1335 33.2074 175.2027 9 S 4.5766 8.2920 117.0042 57.0344 64.0588 173.6696 10 H 5.0255 8.5907 123.6384 55.4857 29.3086 173.1820 11 D 4.4725 7.9511 120.3345 53.3831 41.7978 176.6191 12 A 3.6830 8.7954 129.6929 55.3580 18.3555 178.1380 13 D 4.9073 8.2176 111.9197 54.3020 41.4317 177.5716 14 S 4.7356 8.6184 114.7130 57.2816 63.1413 172.2718 15 L 4.6962 9.4156 126.2106 53.2246 44.3861 175.0637 16 C 4.4850 8.8431 127.9867 58.8725 31.9326 172.6252 17 V 4.2860 8.5971 127.8392 60.8760 33.7958 174.4335 18 V 4.0324 7.7878 128.6468 62.0888 32.6568 175.2310 19 I 4.3868 8.2963 129.0897 61.3738 38.0002 176.3379 20 E 4.8148 9.6494 122.4266 55.8757 32.9002 175.5202 21 I 4.9195 7.6178 120.4432 59.5552 41.2674 174.4088 22 S 4.8771 8.8046 122.5353 57.0267 64.7723 173.5812 23 K 3.8629 8.8321 122.8021 58.8273 32.1268 176.0018 24 H 4.5458 9.2048 123.1169 55.6993 28.1570 175.4214 25 S 4.5062 8.3491 115.8509 58.3266 63.2754 174.0433 26 N 5.1140 9.0996 122.7404 53.1070 38.8292 173.8540 27 I 4.4469 7.8458 121.8208 60.0593 38.4693 175.5873 28 K 4.1558 8.8334 130.3530 55.5784 32.5424 175.8483 29 Y 4.6099 7.9473 125.8455 57.5460 39.9503 175.0823 30 E 4.7853 8.4673 117.7039 55.5966 31.3829 174.8263 31 L 4.3754 9.5170 131.0317 55.4363 43.2413 175.5634 32 D 4.7763 8.8379 125.5512 52.6913 42.3859 176.6083 33 K 3.9013 9.1861 126.2983 60.0273 32.1676 177.9876 34 E 4.1241 8.2893 116.1872 59.4936 29.7446 178.6611 35 S 4.1330 8.5520 113.1689 59.8137 63.1883 175.4867 36 G 3.8367 8.9146 107.3888 45.6532 0.0000 172.5607 37 A 4.7645 8.2531 122.3033 49.7593 21.1773 178.9344 38 L 4.4265 8.0211 120.4738 54.1177 43.2006 176.2767 *40 V 3.5912 8.0765 119.1691 63.5545 31.6498 175.0827 41 D 4.5465 8.7874 128.4876 56.3387 41.9238 176.5913 42 R 4.4442 7.3073 115.4853 55.8408 33.2473 173.0141 43 V 4.6477 8.4719 124.6709 60.9535 31.9355 175.2231 44 L 4.0987 8.6475 127.5386 55.6913 41.8588 178.1752 45 Y 4.2249 9.2899 122.4442 60.1926 38.1257 176.4378 46 G 3.9504 7.2698 107.5572 43.9386 0.0000 173.6440 47 A 4.4217 8.1626 121.9714 51.5698 17.7229 175.0705 48 Q 4.8532 7.0518 121.8403 54.8043 33.2309 174.5488 49 N 4.8032 8.6282 111.0335 52.5278 39.3306 173.8610 50 Y 2.9383 8.1622 119.0365 58.1602 38.3724 176.0513 51 P 4.2150 0.0000 0.0000 64.0059 31.8315 175.4770 52 A 4.4380 7.3221 117.5159 50.7670 22.0798 175.7288 53 N 4.6715 8.6161 116.5931 54.2666 39.8473 173.6385 54 Y 5.0697 9.4327 124.4518 55.9779 41.8403 174.0053 55 G 4.2609 9.0206 115.1861 45.6834 0.0000 171.1804 56 F 5.3228 8.6175 116.7280 55.9089 41.9630 173.7840 57 V 4.4006 8.3359 120.5349 60.9905 32.0257 174.2017 58 P 4.5937 0.0000 0.0000 62.5830 32.2297 175.3948 59 N 3.1400 8.5442 116.0504 54.0232 36.2698 174.2461 60 T 4.6998 7.2982 110.0693 60.2583 72.0430 172.3052 61 L 4.9810 9.4952 129.0998 53.4146 45.1953 175.6163 62 G 4.4347 8.5437 112.6400 43.5688 0.0000 173.5106 63 S 4.8285 8.4682 114.3373 56.4454 60.6552 172.9568 64 D 4.5326 8.2167 123.2811 53.3929 40.8600 179.2260 65 G 4.0014 8.2671 107.1659 46.3687 0.0000 173.5174 66 D 5.0051 7.6189 118.5046 51.2435 44.1454 173.8998 67 P 5.2859 0.0000 0.0000 61.8094 32.1227 176.7846 68 V 3.7196 8.3829 120.4065 62.3093 31.9544 175.5582 69 D 5.0821 8.8601 125.0225 54.8145 42.3390 175.0342 70 A 4.6291 8.1959 120.2249 50.9832 23.2540 175.2448 71 L 5.0219 8.6165 119.4044 52.8590 44.9570 176.2327 72 V 5.5012 8.1886 121.5339 59.1411 30.7570 173.8875 73 L 4.1756 7.9988 121.4770 55.2549 42.3477 176.9725 74 S 4.6175 8.3483 116.2189 57.9345 65.3226 174.4231 75 D 4.5369 8.6122 119.3544 55.2477 41.0132 176.8065 76 V 4.1812 7.0446 111.3090 59.1240 34.4047 174.5296 77 A 4.5381 7.8737 123.5334 50.3045 20.3494 176.3248 78 F 4.4001 8.5389 122.9188 56.2568 40.0900 175.6022 79 Q 3.7882 8.9279 125.7027 56.2043 29.0457 175.6686 80 A 4.0635 8.5618 127.6271 53.9328 18.5734 176.3163 81 G 4.0683 8.3926 111.5990 45.7384 0.0000 174.3676 82 S 4.4494 8.5342 114.9199 58.1470 64.6319 173.3983 83 V 4.9130 8.0591 119.4441 61.1584 34.1902 174.8224 84 V 4.3441 8.3501 124.4865 60.0953 35.3072 173.6600 85 K 4.8010 8.4658 122.0661 55.6164 33.5934 175.5677 86 A 5.1212 9.0536 128.0294 50.0571 22.9475 174.3001 87 R 5.0613 8.5802 112.5488 54.6240 33.0015 174.8629 88 L 4.4679 9.2390 124.3442 54.9831 41.8882 177.2315 89 V 4.2179 9.6174 122.3801 60.6629 33.4681 176.3605 90 G 3.9205 7.3068 107.7768 47.8235 0.0000 170.9928 91 V 4.5585 7.0318 115.2063 61.0600 35.3106 171.9841 92 L 4.1684 8.7361 126.9501 53.5373 42.9230 174.9841 93 N 4.8166 8.5236 126.1873 52.9131 40.5879 173.6115 *95 E 4.6447 8.5385 120.9375 56.6665 31.7835 174.5760 96 D 4.0636 8.7458 120.9282 50.8364 42.8744 175.4639 97 E 3.4574 5.9807 115.1601 59.7907 29.3697 179.8754 98 S 4.0566 9.0317 115.8014 60.0229 63.4033 175.1096 99 G 4.1043 7.6047 116.5940 46.3247 0.0000 171.9504 *101 D 4.5717 7.3150 124.6754 53.3568 41.2189 174.3591 102 E 4.1733 8.5068 123.0527 55.8914 31.0625 176.7294 103 K 4.3701 8.5354 120.7842 54.2070 35.2193 175.8748 104 L 4.3044 8.2370 125.8917 55.1726 43.1744 176.4892 105 I 4.8459 8.4471 122.8293 59.6772 39.8291 174.6872 106 A 4.9374 8.5840 126.8215 51.2073 23.3343 174.5864 107 L 5.1041 8.2203 118.1285 52.1771 46.0084 175.1171 108 P 4.8263 0.0000 0.0000 62.0126 32.5924 176.6346 109 I 3.7023 8.8857 123.3242 61.6875 37.8169 177.1006 110 D 4.5478 8.9779 124.9733 57.7695 40.3517 179.0484 111 K 3.9314 8.0612 118.4310 59.6662 32.0759 178.4270 112 I 4.1984 8.0574 119.2589 63.0259 37.6632 176.3860 113 D 4.4266 7.3717 120.7007 52.9001 42.1899 172.7249 114 P 4.7005 0.0000 0.0000 63.3406 31.8967 178.4182 115 T 3.8891 7.4779 116.1279 67.1518 68.5812 175.7787 116 H 4.4317 7.6415 117.6003 54.5676 29.6250 176.6845 117 S 4.4880 8.1594 115.2784 60.9432 62.9228 175.1978 118 Y 4.2310 8.0119 117.8714 59.5352 37.3202 177.1076 119 V 3.9650 6.2543 119.4764 62.5668 29.4880 175.2466 120 K 4.1828 8.3903 124.8131 57.7746 32.8421 176.6177 121 D 4.7071 9.4585 116.9779 53.3973 44.7162 176.5466 122 I 3.5131 8.9757 125.3406 64.0301 38.4402 177.4527 123 D 4.4284 7.9870 118.2594 56.0408 39.2511 176.4718 124 D 4.7375 8.9299 119.7345 54.3926 40.6224 175.5690 125 L 4.6712 7.2906 119.7469 52.5695 43.5363 177.3322 126 S 4.2254 8.4771 117.9605 58.4539 64.6205 174.9808 127 K 3.7216 8.7198 125.1123 60.1809 31.8555 178.1252 128 H 4.2032 8.1937 118.9961 59.2838 29.6984 176.3020 129 T 3.8505 8.0893 117.1748 67.2404 68.3634 176.2348 130 L 3.7537 7.8935 120.2030 57.7964 41.0524 179.6005 131 D 4.4190 8.4198 119.1826 57.3188 40.7820 178.4351 132 K 3.9237 8.2571 120.3727 59.7238 32.1338 178.7783 133 I 3.9188 7.8533 119.6783 64.4385 37.1581 178.0003 134 K 4.0005 8.5180 120.3956 59.9520 31.7826 177.7601 135 H 4.3205 8.8612 119.9474 58.9583 29.6824 176.1937 136 F 3.8268 8.7065 121.9783 62.0912 38.8399 177.1123 137 F 3.3522 8.6352 117.3169 59.7033 38.9742 176.4279 138 E 4.7188 8.1531 116.4835 56.2343 29.9805 177.5643 139 T 5.0038 7.6629 106.8433 62.7318 72.7338 174.5283 140 Y 4.8954 7.9321 118.7882 57.6729 38.0130 176.2134 141 K 4.2073 7.2928 118.5668 56.3104 34.2777 177.7849 142 D 4.2791 8.0022 120.8814 57.7379 40.6540 178.8601 143 L 4.2336 7.6962 115.3060 56.0492 41.7724 176.7936 144 E 3.9481 7.3987 119.8731 53.9420 29.7516 174.6482 145 P 4.1697 0.0000 0.0000 64.2403 32.1838 176.0786 146 N 4.1229 8.5657 118.3073 52.3455 35.4730 173.5688 147 K 4.7445 7.5176 111.5969 55.8674 35.7359 173.3931 148 W 5.3328 7.3793 122.2407 55.1777 32.5197 173.8676 149 V 4.6777 8.4991 118.8752 61.5133 34.0460 173.2965 150 K 4.5672 9.8231 130.9585 54.7196 33.6726 175.5470 151 V 3.9333 8.3548 128.3613 61.7059 31.4096 175.5818 152 K 4.0528 8.2395 129.0648 56.4030 32.7185 179.2138 153 G 3.7015 6.7494 104.5157 46.1344 0.0000 170.8237 154 F 5.1341 8.3676 118.0149 56.4440 40.9558 174.7461 155 E 4.9314 8.8435 118.4784 54.8802 34.7586 174.8463 156 N 4.6892 8.6118 118.8360 52.2992 39.1280 176.0503 157 K 3.7682 9.1856 119.2514 59.7676 32.0466 177.6855 158 E 3.9178 8.2893 118.9494 59.5948 29.2755 178.4910 159 S 4.0453 9.1266 112.7940 61.4932 62.3609 175.6642 160 A 3.9603 7.9369 123.0904 55.4291 18.2017 179.3011 161 I 3.6016 8.3966 118.4245 64.7686 37.1928 178.2121 162 K 4.1976 8.1138 120.1056 59.0980 31.7419 179.1774 163 V 3.5386 7.8798 117.5575 67.0349 31.5322 177.0112 164 L 3.9297 8.4383 120.4566 57.1037 41.6026 178.2465 165 E 3.8687 8.4420 117.5647 59.5694 29.4801 179.4005 166 K 3.7760 8.2448 119.2342 59.8694 32.2583 178.4475 167 A 4.8578 8.0553 121.2054 53.8172 18.3791 179.7451 168 I 3.6047 7.4719 118.5474 64.5534 36.8617 178.5039 169 K 4.0607 8.1985 119.1333 59.2164 31.7220 178.9750 170 A 3.9030 7.5435 118.9277 54.5888 18.2589 178.3518 171 Y 4.1899 7.8309 118.7031 59.0385 39.0796 175.0286 172 Q 4.0137 8.0147 122.4252 56.1433 29.0329 175.4129 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 2 N 8.28 4.76 0.00 2.81 2.86 0.00 0.00 6.97 5.85 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 3 L 8.26 3.82 0.00 1.86 1.83 1.19 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 4 E 9.22 4.02 0.00 1.98 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 2.37 2.39 0.00 5 K 7.93 4.54 0.00 1.75 1.80 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.36 7.81 6 L 7.51 4.45 0.00 1.57 1.69 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.85 3.85 0.00 1.93 1.85 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 2.24 2.27 0.00 8 V 8.06 4.07 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 0.57 0.00 0.00 0.76 0.00 0.00 9 S 8.29 4.58 0.00 3.76 3.67 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 0.00 0.00 0.00 0.00 10 H 8.59 5.03 0.00 3.13 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.95 4.47 0.00 2.69 2.66 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 12 A 8.80 3.68 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 13 D 8.22 4.91 0.00 2.77 2.66 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 14 S 8.62 4.74 0.00 3.73 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 15 L 9.42 4.70 0.00 1.77 1.55 0.96 0.80 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 16 C 8.84 4.48 0.00 3.14 2.73 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 17 V 8.60 4.29 1.92 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 0.80 0.00 0.00 0.82 0.00 0.00 18 V 7.79 4.03 0.91 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 0.81 0.00 0.00 0.63 0.00 0.00 19 I 8.30 4.39 1.87 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 1.12 1.15 1.00 0.00 0.00 20 E 9.65 4.81 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 21 I 7.62 4.92 1.53 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 1.20 0.47 0.19 0.00 0.00 22 S 8.80 4.88 0.00 3.88 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 23 K 8.83 3.86 0.00 1.76 1.67 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.90 1.37 7.81 24 H 9.20 4.55 0.00 3.33 3.60 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.35 4.51 0.00 3.98 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 26 N 9.10 5.11 0.00 2.97 3.18 0.00 0.00 6.19 7.85 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 27 I 7.85 4.45 1.90 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 1.04 0.62 -0.01 0.00 0.00 28 K 8.83 4.16 0.00 1.96 1.97 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.37 1.33 7.81 29 Y 7.95 4.61 0.00 3.25 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 30 E 8.47 4.79 0.00 1.97 1.86 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 2.17 2.30 0.00 31 L 9.52 4.38 0.00 1.81 1.93 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.84 4.78 0.00 2.87 2.54 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 33 K 9.19 3.90 0.00 1.79 1.93 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.44 7.81 34 E 8.29 4.12 0.00 1.95 2.01 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 2.32 2.37 0.00 35 S 8.55 4.13 0.00 4.00 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 36 G 8.91 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 0.00 0.00 0.00 37 A 8.25 4.76 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 38 L 8.02 4.43 0.00 1.65 1.81 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *40 V 8.08 3.59 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 0.53 0.00 0.00 0.92 0.00 0.00 41 D 8.79 4.55 0.00 2.70 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 42 R 7.31 4.44 0.00 1.91 1.71 0.00 3.16 0.00 0.00 3.19 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 43 V 8.47 4.65 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 0.88 0.00 0.00 0.89 0.00 0.00 44 L 8.65 4.10 0.00 1.75 1.70 1.09 0.74 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 45 Y 9.29 4.22 0.00 2.75 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 46 G 7.27 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 47 A 8.16 4.42 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 48 Q 7.05 4.85 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 49 N 8.63 4.80 0.00 2.95 2.79 0.00 0.00 5.90 7.55 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 50 Y 8.16 2.94 0.00 3.00 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 51 P 0.00 4.21 0.00 1.96 2.01 0.00 3.04 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 52 A 7.32 4.44 1.22 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 53 N 8.62 4.67 0.00 2.81 2.92 0.00 0.00 6.20 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 9.43 5.07 0.00 3.04 2.49 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 55 G 9.02 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 56 F 8.62 5.32 0.00 3.16 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 57 V 8.34 4.40 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 0.84 0.00 0.00 0.97 0.00 0.00 58 P 0.00 4.59 0.00 1.93 2.00 0.00 3.90 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 59 N 8.54 3.14 0.00 2.47 1.76 0.00 0.00 6.62 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.30 4.70 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 1.31 0.00 0.00 61 L 9.50 4.98 0.00 1.84 1.68 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.54 4.43 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 0.00 63 S 8.47 4.83 0.00 3.99 3.93 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 0.00 0.00 0.00 0.00 64 D 8.22 4.53 0.00 2.79 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 65 G 8.27 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 66 D 7.62 5.01 0.00 2.89 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 0.00 0.00 0.00 67 P 0.00 5.29 0.00 2.10 2.34 0.00 3.46 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.21 0.00 68 V 8.38 3.72 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 0.75 0.00 0.00 0.92 0.00 0.00 69 D 8.86 5.08 0.00 2.62 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 0.00 0.00 0.00 0.00 70 A 8.20 4.63 1.10 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 0.00 0.00 71 L 8.62 5.02 0.00 1.59 1.59 1.09 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.19 5.50 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 0.90 0.00 0.00 0.87 0.00 0.00 73 L 8.00 4.18 0.00 1.53 1.62 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.35 4.62 0.00 4.02 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 75 D 8.61 4.54 0.00 2.66 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 76 V 7.04 4.18 1.78 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 0.57 0.00 0.00 0.28 0.00 0.00 77 A 7.87 4.54 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 78 F 8.54 4.40 0.00 3.07 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 79 Q 8.93 3.79 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 80 A 8.56 4.06 0.98 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 0.00 0.00 81 G 8.39 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 82 S 8.53 4.45 0.00 3.85 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 83 V 8.06 4.91 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 0.78 0.00 0.00 0.84 0.00 0.00 84 V 8.35 4.34 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 0.55 0.00 0.00 0.48 0.00 0.00 85 K 8.47 4.80 0.00 1.63 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *95 E 8.54 4.64 0.00 2.26 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 0.00 2.38 2.61 0.00 96 D 8.75 4.06 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 E 5.98 3.46 0.00 2.06 1.59 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 1.93 2.15 0.00 98 S 9.03 4.06 0.00 3.88 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 99 G 7.60 4.10 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 0.00 0.00 0.00 *101 D 7.32 4.57 0.00 2.70 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 0.00 102 E 8.51 4.17 0.00 1.84 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 0.00 2.28 2.37 0.00 103 K 8.54 4.37 0.00 1.36 1.46 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 3.49 0.00 0.00 0.00 0.00 1.32 1.01 7.81 104 L 8.24 4.30 0.00 1.51 1.56 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.45 4.85 1.81 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 1.29 1.42 0.90 0.00 0.00 106 A 8.58 4.94 1.22 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 0.00 107 L 8.22 5.10 0.00 1.42 1.49 0.94 1.13 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 0.00 108 P 0.00 4.83 0.00 1.93 1.84 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 109 I 8.89 3.70 1.81 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 1.25 0.54 0.92 0.00 0.00 110 D 8.98 4.55 0.00 2.66 2.73 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 0.00 111 K 8.06 3.93 0.00 1.72 1.83 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.53 7.81 112 I 8.06 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0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.65 1.38 7.81 121 D 9.46 4.71 0.00 2.58 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 0.00 122 I 8.98 3.51 2.06 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 1.50 0.91 0.91 0.00 0.00 123 D 7.99 4.43 0.00 2.82 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 0.00 124 D 8.93 4.74 0.00 2.63 2.83 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 0.00 125 L 7.29 4.67 0.00 1.59 1.46 0.77 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.48 4.23 0.00 4.05 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 0.00 127 K 8.72 3.72 0.00 1.85 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.80 1.54 7.81 128 H 8.19 4.20 0.00 3.27 3.35 0.00 5.99 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 0.00 129 T 8.09 3.85 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 1.14 0.00 0.00 130 L 7.89 3.75 0.00 1.70 1.28 0.68 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 131 D 8.42 4.42 0.00 2.79 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 0.00 132 K 8.26 3.92 0.00 1.79 1.82 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 133 I 7.85 3.92 2.21 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 1.29 0.00 0.00 134 K 8.52 4.00 0.00 2.29 2.15 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.42 7.81 135 H 8.86 4.32 0.00 3.26 3.51 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.71 3.83 0.00 3.26 3.29 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 0.00 137 F 8.64 3.35 0.00 3.23 3.15 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 0.00 138 E 8.15 4.72 0.00 2.26 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 0.00 2.42 2.33 0.00 139 T 7.66 5.00 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 1.03 0.00 0.00 140 Y 7.93 4.90 0.00 2.33 1.62 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 0.00 0.00 0.00 0.00 141 K 7.29 4.21 0.00 1.31 1.35 0.00 1.22 0.00 0.00 1.19 0.00 0.00 2.43 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.51 0.21 7.81 142 D 8.00 4.28 0.00 2.63 2.68 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 0.00 143 L 7.70 4.23 0.00 1.65 1.87 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 144 E 7.40 3.95 0.00 1.77 1.56 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 1.47 1.47 0.00 145 P 0.00 4.17 0.00 2.18 2.09 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 146 N 8.57 4.12 0.00 2.86 2.90 0.00 0.00 6.84 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.52 4.74 0.00 1.67 1.45 0.00 1.53 0.00 0.00 2.24 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.87 1.68 7.81 148 W 7.38 5.33 0.00 3.48 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 0.00 149 V 8.50 4.68 2.19 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 0.93 0.00 0.00 0.93 0.00 0.00 150 K 9.82 4.57 0.00 1.94 2.17 0.00 2.07 0.00 0.00 1.69 0.00 0.00 2.68 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.42 7.81 151 V 8.35 3.93 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 0.71 0.00 0.00 1.01 0.00 0.00 152 K 8.24 4.05 0.00 1.87 1.74 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.43 7.81 153 G 6.75 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 0.00 154 F 8.37 5.13 0.00 2.91 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 E 8.84 4.93 0.00 1.92 1.81 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 2.25 2.26 0.00 156 N 8.61 4.69 0.00 3.08 2.99 0.00 0.00 5.53 6.56 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 0.00 157 K 9.19 3.77 0.00 1.88 1.96 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.51 7.81 158 E 8.29 3.92 0.00 2.07 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 2.39 2.40 0.00 159 S 9.13 4.05 0.00 3.89 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 0.00 160 A 7.94 3.96 1.45 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 0.00 0.00 0.00 0.00 0.00 161 I 8.40 3.60 2.08 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 1.51 1.24 1.00 0.00 0.00 162 K 8.11 4.20 0.00 2.05 1.86 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 163 V 7.88 3.54 2.24 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 0.78 0.00 0.00 0.98 0.00 0.00 164 L 8.44 3.93 0.00 1.75 1.73 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 165 E 8.44 3.87 0.00 2.12 2.01 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 2.33 2.38 0.00 166 K 8.24 3.78 0.00 1.94 2.01 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.53 7.81 167 A 8.06 4.86 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 0.00 168 I 7.47 3.60 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.82 0.00 0.00 169 K 8.20 4.06 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.71 1.61 7.81 170 A 7.54 3.90 1.52 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 0.00 171 Y 7.83 4.19 0.00 3.13 3.21 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 0.00 172 Q 8.01 4.01 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.32 0.00 0.00 0.00 0.00 0.00 2.51 2.90 0.00 * Residues marked with a * may have inaccurate shift predictions.