NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7606 8.2833 118.1283 52.3594 39.3383 174.0484 3 L 3.8209 8.2344 122.7708 57.4347 42.3238 176.4791 4 E 4.0121 9.2371 118.4422 59.1132 30.3383 178.0440 5 K 4.5323 7.8709 116.4748 56.1786 32.6803 175.9603 6 L 4.4501 7.5533 121.3757 52.6202 43.3184 174.8874 7 E 3.8418 8.8755 127.4765 56.6708 29.4697 176.0825 8 V 4.0729 8.0715 126.1265 60.1228 33.2089 175.1951 9 S 4.5910 8.2947 117.0981 57.0119 64.0604 173.7036 10 H 5.1158 8.5682 123.8992 55.4915 29.4050 173.1853 11 D 4.4863 7.5819 120.4340 53.3602 41.8077 176.7739 12 A 3.9056 8.8253 129.5451 55.3983 18.3548 178.2275 13 D 4.8901 8.1269 111.9601 54.2631 41.4266 177.6341 14 S 4.7187 8.3090 113.6379 57.3098 62.9319 172.5844 15 L 4.6509 9.8263 125.2548 53.4781 44.2397 175.1375 16 C 4.4705 8.7623 127.9650 58.7947 32.2432 172.7225 17 V 4.3166 8.4877 127.0475 60.9029 34.0703 174.3593 18 V 4.0676 7.8359 128.5924 62.1584 32.6770 175.1367 19 I 4.5119 8.2767 129.1086 61.2465 37.6503 176.3301 20 E 4.7695 9.8159 122.7492 55.9380 32.9516 175.5594 21 I 4.8335 7.6118 120.0712 59.4241 41.1472 174.7353 22 S 4.7705 8.7904 122.5117 56.9114 64.1072 173.3689 23 K 3.8743 8.5523 124.0609 58.7168 32.0943 176.1320 24 H 4.5787 9.1186 123.1448 55.6042 28.0356 175.3385 25 S 4.5281 8.3749 115.9337 58.2256 63.3625 173.9473 26 N 5.1390 9.0808 122.6639 53.0201 38.8078 173.7612 27 I 4.4768 7.9337 121.7224 60.0565 38.6154 175.7334 28 K 4.2161 8.8459 130.4749 55.4603 32.2526 175.7988 29 Y 4.5385 8.0208 126.0822 57.6181 39.6661 175.3564 30 E 4.7884 8.5910 118.8208 55.4902 31.0698 174.3216 31 L 4.2709 9.0009 129.9628 55.7488 43.0780 175.6143 32 D 4.7377 8.8640 125.8832 52.8148 42.2152 176.6702 33 K 3.9494 9.1521 126.3706 60.0281 32.3007 178.0331 34 E 4.1339 8.3820 116.1195 59.5354 29.6902 178.6828 35 S 4.1372 8.4640 112.6493 59.7280 63.1879 175.4187 36 G 3.8409 8.9831 107.5017 45.5576 0.0000 172.4739 37 A 4.7590 8.2848 122.3408 49.6408 21.1318 178.6746 38 L 4.2812 8.0844 120.9920 54.2797 42.8303 176.5746 *40 V 3.5738 8.0276 118.9318 63.3124 31.2734 174.9818 41 D 4.4321 8.7121 128.3296 56.0373 41.6056 176.5535 42 R 4.5274 7.0802 118.1552 55.9973 33.1058 172.9543 43 V 4.6497 8.3924 124.5311 60.9467 32.4628 175.0807 44 L 4.0541 8.6780 127.5176 55.6303 41.8864 177.9778 45 Y 4.2597 9.2991 122.7808 60.4156 38.0678 176.9281 46 G 3.9267 7.3139 108.2500 44.1207 0.0000 173.6052 47 A 4.4328 8.1576 122.0083 51.5308 17.7819 175.0251 48 Q 4.8405 7.0734 121.7612 54.6816 33.3122 174.5408 49 N 4.8892 8.5899 111.3193 52.4427 39.3842 173.8916 50 Y 2.9919 8.1757 118.9358 58.2288 38.3677 176.0145 51 P 4.2682 0.0000 0.0000 63.8362 31.9121 175.5599 52 A 4.4358 7.3545 117.3381 50.7289 22.0402 175.7905 53 N 4.6366 8.6260 116.6300 54.3956 39.7971 173.6032 54 Y 5.0635 9.2467 124.5601 56.2112 41.9933 174.5095 55 G 4.2670 8.7553 112.5821 46.2873 0.0000 171.5972 56 F 5.3023 8.6271 117.2983 55.9712 42.0792 173.7374 57 V 4.5741 8.3447 120.2146 60.8317 30.9544 174.1088 58 P 4.6048 0.0000 0.0000 62.7270 32.7879 175.5273 59 N 3.1400 8.5632 115.7822 54.1246 36.3669 174.1993 60 T 4.6633 7.1700 110.1736 60.1800 71.9290 172.2866 61 L 5.0196 9.3327 129.0648 53.3989 45.2011 175.6132 62 G 4.3741 8.5276 112.5531 43.5809 0.0000 173.5051 63 S 4.8191 8.4970 114.4180 56.5459 60.3193 172.9593 64 D 4.5115 8.2198 123.7302 53.4009 40.9261 179.1971 65 G 4.0039 8.3056 107.5318 46.2620 0.0000 173.5122 66 D 4.9789 7.5673 118.8453 51.2598 44.0626 173.9021 67 P 5.3613 0.0000 0.0000 61.8368 32.1352 176.6523 68 V 3.8001 8.2417 119.7591 61.9576 32.1490 175.6855 69 D 5.1062 8.8601 125.1711 54.7171 42.2564 175.0340 70 A 4.8516 8.2719 120.6446 50.8399 23.3034 175.1766 71 L 4.9656 8.7259 119.3878 52.8258 45.0282 176.2738 72 V 5.5252 8.1957 121.7758 59.2314 30.6860 174.0392 73 L 4.1908 7.9867 121.7149 55.2415 42.3425 176.9776 74 S 4.6270 8.2674 115.8635 57.8756 65.1981 174.8813 75 D 4.4761 8.6806 119.9459 55.7131 40.9369 176.8471 76 V 4.1346 6.9821 110.8973 59.1947 34.1339 174.5306 77 A 4.5778 7.8736 123.3796 50.3327 20.4424 176.1228 78 F 4.4587 8.6562 122.4085 56.1148 40.2394 175.3646 79 Q 3.7690 8.9584 125.6743 56.2495 29.0016 175.8018 80 A 4.0465 8.5381 127.5770 54.0756 18.5619 176.5944 81 G 4.0458 8.4326 111.0738 45.4766 0.0000 174.2189 82 S 4.4655 8.4501 114.9906 58.1057 64.7014 173.3196 83 V 4.8967 8.0417 119.3409 61.1362 34.2552 174.8418 84 V 4.3446 8.2630 124.6679 60.0846 35.2674 173.6436 85 K 4.7556 8.4808 122.3578 55.6742 32.9854 175.6341 86 A 5.1104 9.2041 127.1352 50.0145 23.1899 174.2763 87 R 4.7008 8.7606 113.7452 54.4447 32.8356 175.0213 88 L 4.4024 9.1892 124.3052 55.1168 42.0027 177.2702 89 V 4.2294 9.6499 122.2382 60.6142 33.4959 176.3427 90 G 3.9380 7.3180 107.8032 47.8736 0.0000 170.9860 91 V 4.5628 7.0280 115.5072 61.0688 35.3304 171.8365 92 L 4.2593 8.6542 127.1783 53.5613 43.0825 174.9800 93 N 4.8672 8.5194 126.2363 52.8371 40.4831 173.6255 *95 E 4.6332 8.5250 120.8065 56.6539 31.8219 174.5571 96 D 3.9742 8.6415 120.5587 50.7884 42.6169 175.4048 97 E 3.6281 5.9000 116.0676 59.7958 29.2522 178.9378 98 S 4.1930 8.5222 115.1108 59.8948 63.4741 174.9695 99 G 4.0607 7.6541 116.4121 46.2995 0.0000 171.9005 *101 D 4.6650 7.2989 123.6181 53.3620 41.0877 174.3964 102 E 4.2728 8.4601 122.3679 55.8875 31.1151 176.6114 103 K 4.3641 8.5799 120.6555 54.2128 35.2629 175.8541 104 L 4.3026 8.3264 125.7256 55.1315 43.0857 176.4743 105 I 4.7365 8.4044 123.3268 59.7493 39.6621 174.6935 106 A 4.9418 8.5568 126.7614 51.2454 23.3093 174.5811 107 L 5.1196 8.2007 118.0610 52.2564 46.0991 175.0001 108 P 4.8409 0.0000 0.0000 61.9991 32.6099 176.5117 109 I 3.5947 8.7402 123.2601 62.1170 37.8134 176.8641 110 D 4.5865 9.1174 126.1969 57.5434 41.0276 178.8369 111 K 3.8911 8.1892 118.6462 59.6315 32.3370 177.7758 112 I 3.8391 8.1767 118.8576 63.7696 37.1390 176.2120 113 D 4.4019 7.4011 122.0024 52.8727 42.0301 172.5404 114 P 4.7504 0.0000 0.0000 63.2525 31.8628 178.2102 115 T 3.8914 7.5562 116.1488 67.0816 68.6717 175.4535 116 H 4.4410 7.6491 117.7689 54.6344 29.6709 176.5370 117 S 4.4377 8.0991 115.6071 60.8761 62.8787 175.1956 118 Y 4.1863 7.9215 117.8105 59.4518 37.4099 176.9101 119 V 3.9394 6.3757 119.6769 62.4023 29.7445 175.1576 120 K 4.1910 8.4437 125.6457 57.8962 32.8668 176.6637 121 D 4.7787 9.6307 117.1397 52.9289 44.5392 175.7385 122 I 3.3095 8.9387 124.3066 64.2190 38.1264 177.4034 123 D 4.4353 7.9550 117.9727 55.6739 39.3896 176.3186 124 D 4.7429 8.8378 120.2793 54.3760 40.7309 175.6830 125 L 4.6597 7.2279 120.0623 52.6378 43.6197 177.3628 126 S 4.2629 8.4277 117.5817 58.3393 64.6930 175.4367 127 K 3.8057 8.5675 124.3205 60.0733 32.0538 178.1929 128 H 4.1696 8.3468 117.9730 59.9933 29.5877 176.3200 129 T 3.8432 7.9739 116.9950 67.1975 68.3875 176.3714 130 L 3.7908 7.7772 120.0191 57.6325 41.5330 179.5673 131 D 4.4207 8.4345 119.3654 57.3778 40.9044 178.4749 132 K 3.9602 8.3789 120.4921 59.6968 32.0835 178.8667 133 I 3.9400 7.9182 119.9158 64.2522 37.1236 178.1724 134 K 3.9961 8.5180 120.4502 59.9954 31.9017 178.0320 135 H 4.3045 8.7331 117.3755 59.8317 29.9625 176.1029 136 F 4.0889 8.6178 121.8031 61.8732 38.8230 176.8163 137 F 3.3588 8.6189 118.3479 60.1309 38.9300 176.6268 138 E 4.6659 7.9339 115.2551 56.4170 30.1543 177.0997 139 T 4.9254 8.4660 107.2880 62.1954 72.2736 174.6181 140 Y 4.8709 7.7544 118.3297 57.8326 38.0484 176.1041 141 K 4.1984 7.2537 118.8171 56.2298 34.2665 177.7361 142 D 4.2550 8.0186 120.9234 57.7547 40.6460 178.7547 143 L 4.2823 7.6962 114.7710 55.7653 41.7762 176.6572 144 E 3.9863 7.4648 120.2881 53.9212 29.7842 174.6306 145 P 4.1667 0.0000 0.0000 64.2104 32.2637 176.0754 146 N 4.1393 8.5774 118.2518 52.5740 35.5451 174.1051 147 K 4.0277 7.2912 112.3460 55.3005 35.6233 173.3708 148 W 5.3279 7.3672 122.1420 55.2932 32.4894 173.7397 149 V 4.5252 8.4803 118.7434 61.5405 34.0499 173.2752 150 K 4.5506 9.9749 130.5732 54.6590 33.7363 175.6658 151 V 3.8928 8.3724 128.4013 61.7817 31.2873 175.8113 152 K 4.0495 8.5458 128.1760 56.9625 32.7417 178.9035 153 G 3.7066 6.8609 104.4282 46.0538 0.0000 170.7890 154 F 5.1727 8.2749 118.0682 56.3473 41.2143 174.8083 155 E 4.9469 8.9013 118.3817 54.7546 34.6486 174.9686 156 N 4.6438 8.6435 118.9712 52.4297 39.0338 175.8860 157 K 3.7581 9.2292 119.3374 59.8342 32.0118 177.6653 158 E 3.8803 8.2239 118.8038 59.6574 29.4195 178.3932 159 S 4.0434 9.4462 113.5063 61.8037 62.3045 175.5710 160 A 3.9435 8.1470 122.7654 55.7808 18.0657 179.6420 161 I 3.5475 8.4733 117.3858 64.9174 37.1870 177.7689 162 K 4.0714 8.3480 119.9722 59.0241 32.0247 179.1128 163 V 3.4921 8.2429 117.7549 67.0699 31.5841 177.4232 164 L 3.9961 8.3894 120.4864 57.1260 41.6589 178.2615 165 E 3.8867 8.4830 117.7337 59.5688 29.5522 179.3770 166 K 3.7649 8.2932 119.3526 59.9154 32.2137 178.4394 167 A 4.8381 7.8468 120.7921 53.9332 18.4918 179.7300 168 I 3.6341 7.7124 119.0697 64.5155 37.3571 178.6908 169 K 4.0584 8.2287 119.1454 59.2316 31.7524 179.0282 170 A 4.1743 7.5499 119.2491 54.6067 18.2724 178.5181 171 Y 4.2021 7.7133 118.0249 59.4540 39.1492 175.0222 172 Q 3.9875 7.8646 120.8940 56.0922 29.0122 175.2730 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 8.23 3.82 0.00 1.85 1.83 1.20 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 9.24 4.01 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 7.87 4.53 0.00 1.75 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.36 7.81 6 L 7.55 4.45 0.00 1.56 1.69 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.88 3.84 0.00 1.93 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 2.24 2.28 0.00 8 V 8.07 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 0.58 0.00 0.00 0.77 0.00 0.00 9 S 8.29 4.59 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 8.57 5.12 0.00 3.13 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.58 4.49 0.00 2.62 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 12 A 8.83 3.91 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 8.13 4.89 0.00 2.65 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 8.31 4.72 0.00 3.80 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 15 L 9.83 4.65 0.00 1.77 1.55 0.98 0.81 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 16 C 8.76 4.47 0.00 3.13 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 17 V 8.49 4.32 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 0.81 0.00 0.00 0.82 0.00 0.00 18 V 7.84 4.07 0.75 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 0.80 0.00 0.00 0.63 0.00 0.00 19 I 8.28 4.51 1.86 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 1.11 1.05 1.02 0.00 0.00 20 E 9.82 4.77 0.00 1.96 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 2.43 2.53 0.00 21 I 7.61 4.83 1.51 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.11 0.00 0.00 22 S 8.79 4.77 0.00 4.00 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 23 K 8.55 3.87 0.00 1.76 1.67 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.97 1.40 7.81 24 H 9.12 4.58 0.00 3.34 3.62 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 8.37 4.53 0.00 3.99 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 26 N 9.08 5.14 0.00 2.91 3.13 0.00 0.00 6.18 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 7.93 4.48 1.93 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 1.05 0.63 -0.04 0.00 0.00 28 K 8.85 4.22 0.00 1.99 1.98 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.38 1.35 7.81 29 Y 8.02 4.54 0.00 3.35 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 8.59 4.79 0.00 1.97 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 2.19 2.32 0.00 31 L 9.00 4.27 0.00 1.86 1.82 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.86 4.74 0.00 2.88 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 33 K 9.15 3.95 0.00 1.80 1.94 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.45 7.81 34 E 8.38 4.13 0.00 1.95 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 0.00 2.32 2.37 0.00 35 S 8.46 4.14 0.00 4.00 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 36 G 8.98 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 8.28 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 8.08 4.28 0.00 1.66 1.85 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 *40 V 8.03 3.57 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 0.90 0.00 0.00 41 D 8.71 4.43 0.00 2.67 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.08 4.53 0.00 1.94 1.74 0.00 3.16 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 43 V 8.39 4.65 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 0.88 0.00 0.00 0.90 0.00 0.00 44 L 8.68 4.05 0.00 1.75 1.70 1.09 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 9.30 4.26 0.00 2.75 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.31 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 0.00 0.00 0.00 47 A 8.16 4.43 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 7.07 4.84 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 49 N 8.59 4.89 0.00 2.94 2.80 0.00 0.00 5.91 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 8.18 2.99 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 4.27 0.00 1.95 1.99 0.00 3.10 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 1.44 0.00 52 A 7.35 4.44 1.21 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 0.00 0.00 53 N 8.63 4.64 0.00 2.81 2.92 0.00 0.00 6.24 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 9.25 5.06 0.00 3.02 2.48 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 0.00 0.00 0.00 0.00 55 G 8.76 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.63 5.30 0.00 3.14 3.25 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 57 V 8.34 4.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 58 P 0.00 4.60 0.00 2.07 1.98 0.00 3.84 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 59 N 8.56 3.14 0.00 2.51 1.88 0.00 0.00 6.63 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 7.17 4.66 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 1.32 0.00 0.00 61 L 9.33 5.02 0.00 1.88 1.68 0.95 0.97 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 62 G 8.53 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.50 4.82 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 4.51 0.00 2.79 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 65 G 8.31 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 7.57 4.98 0.00 2.82 2.44 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 67 P 0.00 5.36 0.00 2.07 2.30 0.00 3.44 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.19 0.00 68 V 8.24 3.80 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 5.11 0.00 2.63 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 70 A 8.27 4.85 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 8.73 4.97 0.00 1.56 1.57 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.20 5.53 2.14 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 0.89 0.00 0.00 0.86 0.00 0.00 73 L 7.99 4.19 0.00 1.53 1.61 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.27 4.63 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.68 4.48 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 6.98 4.13 1.77 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 0.56 0.00 0.00 0.23 0.00 0.00 77 A 7.87 4.58 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.66 4.46 0.00 3.04 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 79 Q 8.96 3.77 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 2.36 0.00 80 A 8.54 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.43 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 S 8.45 4.47 0.00 3.84 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 8.04 4.90 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 8.26 4.34 1.48 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 0.34 0.00 0.00 0.47 0.00 0.00 85 K 8.48 4.76 0.00 1.64 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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 8.52 4.63 0.00 2.28 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 2.63 0.00 96 D 8.64 3.97 0.00 2.52 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 97 E 5.90 3.63 0.00 1.93 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 0.00 1.91 1.75 0.00 98 S 8.52 4.19 0.00 3.85 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 7.65 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 *101 D 7.30 4.67 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 8.46 4.27 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 2.29 2.38 0.00 103 K 8.58 4.36 0.00 1.35 1.44 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.24 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.33 1.02 7.81 104 L 8.33 4.30 0.00 1.51 1.55 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.40 4.74 1.81 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 1.27 1.36 0.90 0.00 0.00 106 A 8.56 4.94 1.21 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 0.00 0.00 107 L 8.20 5.12 0.00 1.44 1.49 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 108 P 0.00 4.84 0.00 1.93 1.83 0.00 3.72 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 2.19 2.14 0.00 109 I 8.74 3.59 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 1.18 0.35 0.92 0.00 0.00 110 D 9.12 4.59 0.00 2.68 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 8.19 3.89 0.00 1.69 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 112 I 8.18 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0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.66 1.37 7.81 121 D 9.63 4.78 0.00 2.52 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 0.00 122 I 8.94 3.31 2.06 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 1.37 0.89 0.91 0.00 0.00 123 D 7.96 4.44 0.00 2.82 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 0.00 124 D 8.84 4.74 0.00 2.65 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 7.23 4.66 0.00 1.53 1.46 0.77 1.00 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 0.00 126 S 8.43 4.26 0.00 4.06 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 8.57 3.81 0.00 1.85 1.86 0.00 1.77 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.80 1.53 7.81 128 H 8.35 4.17 0.00 3.27 3.34 0.00 5.95 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 7.97 3.84 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 1.14 0.00 0.00 130 L 7.78 3.79 0.00 1.70 1.22 0.65 0.37 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 0.00 131 D 8.43 4.42 0.00 2.79 2.76 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 0.00 132 K 8.38 3.96 0.00 1.67 1.81 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 133 I 7.92 3.94 2.19 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 0.64 1.26 0.00 0.00 134 K 8.52 4.00 0.00 2.29 2.17 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.40 7.81 135 H 8.73 4.30 0.00 3.23 3.54 0.00 5.83 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 F 8.62 4.09 0.00 3.27 3.26 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 0.00 137 F 8.62 3.36 0.00 3.27 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 0.00 138 E 7.93 4.67 0.00 2.19 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 0.00 2.54 2.33 0.00 139 T 8.47 4.93 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 140 Y 7.75 4.87 0.00 2.28 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 0.00 0.00 0.00 141 K 7.25 4.20 0.00 1.29 1.32 0.00 1.19 0.00 0.00 1.17 0.00 0.00 2.40 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.41 0.21 7.81 142 D 8.02 4.25 0.00 2.66 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 0.00 143 L 7.70 4.28 0.00 1.66 1.87 0.92 0.95 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 0.00 144 E 7.46 3.99 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 3.83 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 1.99 2.06 0.00 146 N 8.58 4.14 0.00 2.87 2.90 0.00 0.00 6.83 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 7.29 4.03 0.00 1.51 1.44 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.97 1.36 7.81 148 W 7.37 5.33 0.00 3.45 3.09 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 0.00 149 V 8.48 4.53 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 0.92 0.00 0.00 0.91 0.00 0.00 150 K 9.97 4.55 0.00 1.87 2.15 0.00 2.06 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.42 7.81 151 V 8.37 3.89 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 0.71 0.00 0.00 1.01 0.00 0.00 152 K 8.55 4.05 0.00 1.84 1.77 0.00 1.93 0.00 0.00 1.71 0.00 0.00 3.20 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.50 7.81 153 G 6.86 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 0.00 154 F 8.27 5.17 0.00 2.89 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 8.90 4.95 0.00 1.91 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 2.25 2.27 0.00 156 N 8.64 4.64 0.00 3.08 2.98 0.00 0.00 5.54 6.70 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 0.00 157 K 9.23 3.76 0.00 1.87 1.98 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.45 7.81 158 E 8.22 3.88 0.00 2.07 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 2.39 2.41 0.00 159 S 9.45 4.04 0.00 3.86 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 0.00 160 A 8.15 3.94 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 0.00 161 I 8.47 3.55 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 0.92 1.00 0.00 0.00 162 K 8.35 4.07 0.00 2.07 1.81 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 163 V 8.24 3.49 2.25 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 0.98 0.00 0.00 0.97 0.00 0.00 164 L 8.39 4.00 0.00 1.76 1.74 0.88 1.07 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 0.00 165 E 8.48 3.89 0.00 2.11 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 0.00 2.34 2.39 0.00 166 K 8.29 3.76 0.00 1.92 1.99 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 1.54 7.81 167 A 7.85 4.84 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.71 3.63 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 1.36 1.29 0.84 0.00 0.00 169 K 8.23 4.06 0.00 1.80 1.87 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.69 1.61 7.81 170 A 7.55 4.17 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 7.71 4.20 0.00 3.16 3.23 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 0.00 172 Q 7.86 3.99 0.00 2.29 2.03 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 2.48 2.80 0.00 * Residues marked with a * may have inaccurate shift predictions.