NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 L 3.9641 8.0433 122.4697 55.7543 43.9685 176.7240 -3 Y 3.3482 7.5649 125.1954 59.2386 37.0095 171.9291 -2 F 5.0256 9.1364 128.8100 58.2824 40.8432 175.6594 -1 Q 4.4689 8.1683 122.9021 59.6036 28.6630 179.6581 0 G 3.8168 7.9276 102.7639 46.0914 0.0000 174.2126 -2 L 4.7456 8.9964 130.3100 55.6824 43.6432 177.4594 -1 Y 4.6789 7.9683 123.4021 61.8036 37.0630 179.5581 0 D 4.4968 7.9376 114.3639 55.1914 40.3731 175.6126 5 L 3.9896 7.6437 118.2877 57.1299 41.8612 176.5890 6 T 2.4800 7.2272 106.4713 60.8739 71.5791 176.0508 7 V 3.3021 7.4658 119.3871 65.3065 31.9033 178.1306 8 V 3.3801 6.8418 116.6753 65.9495 31.4454 177.7006 9 Q 3.9500 7.5810 117.3123 59.0228 29.0503 177.4866 10 F 4.4893 8.0178 118.5707 60.5187 39.1725 177.3248 11 S 4.3666 7.9510 114.4929 61.4595 62.5291 177.2492 12 K 4.0043 7.9090 118.3037 57.5647 31.7313 178.0296 *14 L 4.2647 7.8773 119.6609 54.3383 43.8580 179.3194 15 K 4.0119 8.2516 118.0844 59.5144 31.7872 179.0877 16 N 4.3615 8.5218 117.1552 56.2049 38.5597 177.1913 17 L 4.0121 7.8276 121.2991 58.1176 42.0323 178.3693 18 N 4.4632 8.2825 115.9602 56.7067 39.2170 176.3991 19 A 4.3508 8.2603 122.2149 55.2201 18.4877 179.4120 20 I 3.5937 8.1163 118.6538 64.8633 37.1266 178.6575 21 F 4.1510 8.2087 117.7327 60.2394 38.6229 177.4315 22 D 4.4325 8.1240 119.0900 57.3586 40.5497 178.8992 23 K 4.0164 8.0519 118.2830 59.2805 32.0406 178.9896 24 A 3.9763 7.9630 121.0980 55.3119 18.2654 179.5146 25 E 3.9702 8.6830 117.0542 59.4453 29.4454 179.4163 26 A 4.0063 8.1202 120.8197 55.1087 18.4993 179.3889 27 F 4.0173 8.5202 118.9929 61.4368 39.4131 177.0459 28 A 4.0210 8.4422 120.5780 55.1597 18.0369 179.3036 29 E 3.7901 8.1881 117.6384 59.3245 29.5916 178.6832 30 L 3.8573 7.8649 119.6446 57.9438 42.1334 177.8020 31 K 4.0062 8.0328 114.6700 55.4205 32.6377 176.4952 32 K 3.7545 7.1094 118.0354 57.6637 29.8818 175.2754 33 V 4.3905 7.6451 116.7428 60.8304 34.6102 176.2089 34 D 4.5854 8.2352 128.4433 54.0938 41.9887 176.0880 *36 D 4.5643 8.6500 112.7749 54.4103 43.1820 178.4934 37 V 3.6036 7.8707 117.6107 66.0719 31.7584 177.7619 38 L 4.1812 7.9208 118.0544 57.9012 41.7184 179.3174 39 L 4.1344 8.0682 118.3848 57.4290 41.3628 178.1438 40 N 4.8185 7.8355 113.5051 52.4838 39.3240 175.5653 41 S 4.5001 7.5497 118.2261 58.4521 63.7290 173.1326 42 R 4.9394 7.9542 117.2822 55.4524 31.9311 174.8440 43 L 4.2623 8.3366 116.6931 55.6357 42.5750 176.8368 44 A 4.5771 7.4918 119.7326 50.5016 21.9329 176.7850 45 A 4.0157 8.7769 124.0000 54.8218 18.5291 178.5243 46 D 4.7709 7.9703 112.3480 52.9587 39.7825 175.5352 47 Q 4.4925 7.5296 120.0798 54.1610 30.9339 175.3776 48 F 4.4884 8.3386 122.3643 57.9206 39.6027 175.9041 49 N 4.9416 8.7047 122.3426 52.0341 39.9592 175.7843 50 L 3.9903 8.3446 120.8381 58.4056 41.9716 178.6408 51 I 3.6964 7.6656 119.5284 64.8291 37.1340 178.5774 52 R 4.0392 8.1890 119.7585 58.7423 29.8020 179.0523 53 Q 4.0964 8.4049 118.1262 58.9875 28.7376 179.2423 54 V 3.6067 8.0335 119.1042 66.1616 31.1377 177.8834 55 Q 3.9238 8.1701 117.9229 59.3031 28.4830 179.3382 56 I 3.6356 8.1872 120.7344 64.0510 37.1646 178.3729 57 A 3.9032 8.1469 121.8361 55.2030 18.1139 179.4519 58 C 4.0190 8.0952 115.1505 63.2352 28.2073 176.1819 59 D 4.3351 8.1235 120.3003 57.5640 40.3233 179.0369 60 T 3.8473 8.1728 116.4617 66.4165 68.5014 176.6192 61 A 3.8897 7.7355 122.3077 54.9290 18.4875 179.5059 62 K 4.0887 8.3215 118.4729 59.9867 32.3110 179.2663 63 V 3.7876 8.3578 119.0474 65.6389 31.4180 178.0091 64 G 4.0775 8.3185 105.7752 48.2204 0.0000 175.8223 65 V 3.6720 8.0139 120.4617 65.2130 31.5569 177.8542 66 A 4.1344 8.1976 120.6588 55.4177 18.3370 179.8704 67 R 3.7777 8.3848 116.8141 59.4421 29.7190 179.3705 68 L 4.0916 8.0918 119.0318 57.4999 41.4290 178.8448 69 T 4.2081 7.6515 107.3050 61.0554 69.2257 175.4500 70 G 3.8721 7.4976 109.0701 46.7013 0.0000 174.8115 71 Q 4.5033 7.7868 120.4114 53.9880 27.4894 175.2891 72 L 4.5002 7.9349 121.2353 55.3362 43.2511 178.5810 73 E 4.1672 8.2078 114.6358 58.5666 29.9350 183.1832 74 T 4.6498 7.6392 114.3883 61.9517 72.2979 172.8536 75 A 4.6210 8.2066 127.4187 49.7711 22.2556 173.7851 76 P 4.1041 0.0000 0.0000 62.7301 31.8216 176.0830 77 K 4.3508 8.3108 122.8757 54.8940 33.4727 174.9022 78 H 4.9910 8.5604 123.2966 54.1731 29.9197 173.8267 79 D 4.7648 8.4197 120.1527 52.6636 39.8947 176.2598 80 D 4.5920 8.3566 117.1278 55.5707 37.8598 174.8188 81 S 4.3726 7.5772 112.0581 59.2694 63.9655 174.4445 82 E 4.1667 8.1163 122.0165 57.4247 29.4695 177.2551 83 T 4.6867 9.4898 111.5513 60.3544 70.4981 174.1195 84 T 4.6818 7.5280 112.3951 59.2214 73.0123 174.4117 85 L 3.6859 8.2732 122.6606 58.0863 42.1734 178.6175 86 A 3.9469 8.0311 120.3120 55.5360 18.1145 179.2818 87 E 4.0421 8.0044 116.5040 59.6747 29.4508 179.7297 88 L 3.8699 7.8185 118.9576 57.7398 41.5297 179.7428 89 R 3.8361 8.2307 118.4903 59.2434 29.8389 179.1500 90 Q 3.9523 7.9883 117.9889 58.8102 28.8125 178.6507 91 R 3.7576 8.1452 119.9208 59.4001 30.0748 178.5817 92 I 3.6484 7.9738 119.5614 64.3550 37.1026 178.1233 93 A 4.0019 8.1748 121.7207 55.2681 18.1788 179.5013 94 S 4.0762 8.3275 111.7521 61.7201 62.4101 176.6955 95 V 3.7665 7.7828 120.5378 65.8715 31.2515 177.8914 96 L 4.0624 8.1805 118.8759 58.2032 41.2751 179.6332 97 T 3.9154 8.1797 114.7469 66.7551 68.7222 175.6669 98 Y 4.4215 8.3016 121.3696 61.0089 38.7511 178.3599 99 L 4.1778 8.6233 120.0433 57.7043 41.4477 179.2947 100 E 4.2508 8.1680 118.0479 58.8789 29.4393 178.8213 101 G 3.6431 7.8359 104.1114 45.2196 0.0000 173.7427 102 F 4.7989 7.4030 119.8452 56.4620 40.4549 174.7969 103 S 4.6955 9.7105 117.1817 55.8995 66.2029 174.7333 104 E 3.5737 7.9906 119.3061 59.5663 29.4202 179.8762 105 A 4.1394 7.6626 119.9727 54.9175 18.5603 179.0523 106 D 4.5361 8.2974 115.0303 56.6578 41.2175 177.0978 107 F 4.5639 8.4069 117.4998 57.0493 39.2256 177.2048 108 A 4.1479 7.8640 126.0570 55.2077 18.2311 179.4905 109 N 5.0762 8.0451 110.6602 53.0257 39.6853 176.6186 110 A 4.2996 8.6194 124.4209 54.6665 18.9519 180.8083 111 A 4.2641 8.5105 118.9304 54.9051 18.5639 178.6606 112 T 4.5641 7.7390 102.3777 61.2124 70.3168 174.4097 113 I 3.8119 7.6919 124.0774 61.7865 39.1888 174.3858 114 Q 4.9584 8.4965 126.9810 54.9480 30.1016 174.9885 115 I 4.4581 9.2899 124.6172 59.4583 40.3115 174.5750 116 S 5.0172 8.3415 120.7237 56.6643 65.0496 173.7437 117 Q 3.7929 6.5161 125.7217 54.2646 29.3535 175.2795 118 P 4.1490 0.0000 0.0000 66.3645 31.3858 178.5121 119 R 4.4484 7.7988 113.5938 56.3126 29.6238 179.5024 120 W 4.8664 8.1694 117.4633 57.2046 29.6540 176.5774 121 Q 3.8310 9.0406 116.2078 57.0260 25.3768 174.7843 122 G 4.0987 8.6828 106.2460 45.3910 0.0000 174.9492 123 K 4.3250 7.7246 118.9709 56.4756 32.6400 175.6660 124 Y 5.5253 8.0028 119.1010 55.4616 41.5535 174.1839 125 L 5.0416 9.1942 119.8825 52.8572 45.6397 176.4534 126 T 4.6029 9.0427 111.6232 61.5465 69.8695 175.8578 127 G 4.4242 9.1291 111.5523 47.6233 0.0000 175.4544 128 Y 4.0343 8.2284 121.7021 60.7297 38.7591 178.1576 129 E 4.0112 8.4044 119.3201 59.4623 29.5357 179.0728 130 F 4.2985 8.8713 120.8538 61.3588 39.4187 177.1066 131 A 3.8129 8.3409 120.3556 55.2262 18.0093 179.7584 132 I 3.6323 7.4378 117.1075 63.9069 37.3482 177.6911 133 E 4.4478 8.2963 117.2115 57.1295 30.3488 175.0351 134 H 4.5590 7.8298 115.4712 57.0608 32.8320 174.9423 135 A 3.8469 8.0247 120.5822 55.2623 18.4489 179.5944 136 I 3.8166 7.6703 117.9209 64.2970 37.3010 176.8855 137 P 4.4141 0.0000 0.0000 65.8544 31.3023 178.3885 138 N 4.3553 8.2251 115.2150 56.0910 38.3846 177.2884 139 L 3.7152 7.8042 121.6905 58.3928 42.1287 178.7252 140 Y 4.1741 7.6688 116.4682 60.7851 37.7114 177.8741 141 F 3.9727 8.4847 121.7602 62.0442 39.4169 177.0776 142 H 4.4686 8.3681 115.0208 58.8446 28.4652 178.0234 143 I 3.7912 7.8997 121.7915 64.7361 36.8617 178.6445 144 T 3.8284 8.2059 116.6634 66.8213 68.1669 176.9854 145 T 3.6966 7.9211 117.5371 66.2938 68.4374 176.4775 146 A 3.9827 8.1798 122.7839 55.3985 18.3264 178.6707 147 Y 3.9951 8.2648 118.2800 61.1233 38.7875 178.9039 148 G 3.6599 8.5884 106.6071 47.8051 0.0000 175.6552 149 I 3.6983 7.9174 122.2246 64.1012 37.1359 178.5621 150 L 3.7433 7.6397 119.6407 57.6487 41.5539 179.4697 151 R 3.7330 8.0654 118.9035 59.7158 29.7517 177.8397 152 H 4.1159 8.3400 117.0314 59.2898 29.8912 176.1159 153 N 4.5672 7.5801 114.9782 53.0016 38.7489 175.6180 154 G 3.9692 7.2742 107.3934 44.8834 0.0000 174.4903 155 V 2.9848 6.7673 120.6362 62.8219 32.1480 176.9671 156 E 4.2615 8.4424 129.7418 55.3669 28.0273 176.5936 157 V 4.2184 6.9463 112.5464 60.1787 33.7687 176.0840 158 G 4.5211 9.2257 111.1646 42.8092 0.0000 173.2531 159 K 3.9426 8.7447 118.3911 59.5996 31.8684 178.8049 160 K 4.0435 8.1381 118.2329 59.4242 31.7411 178.8700 161 D 4.4298 8.0660 118.8064 57.2835 40.7912 177.8435 162 Y 4.2926 8.0612 118.9506 60.7595 39.0459 177.2164 163 L 4.0342 8.2357 119.0769 55.6773 42.1382 178.0786 164 G 3.7864 8.2957 105.8309 44.2675 0.0000 172.4983 165 A 4.1006 7.9156 120.9871 51.1641 19.9389 175.1881 *167 P 4.1587 0.0000 0.0000 63.0472 32.2086 176.5968 168 Y 4.4410 7.3699 115.4595 58.8101 38.9914 176.3930 169 K 4.7040 8.5396 121.8197 54.4814 35.9219 175.3127 170 A 4.6322 8.2474 123.5295 49.9185 20.4219 175.7372 171 P 4.4099 0.0000 0.0000 62.7371 31.8613 176.5050 172 I 4.4636 8.2593 113.8195 60.4415 38.6496 175.2242 173 L 4.1406 7.6246 128.0586 55.6960 41.9873 174.9956 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 -4 L 8.04 3.96 0.00 1.55 1.47 0.24 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 7.56 3.35 0.00 3.19 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 0.00 0.00 0.00 -2 F 9.14 5.03 0.00 3.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 8.17 4.47 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.61 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 0 G 7.93 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 L 9.00 4.75 0.00 1.72 1.76 0.92 0.82 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 -1 Y 7.97 4.68 0.00 3.09 3.32 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 D 7.94 4.50 0.00 2.51 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 5 L 7.64 3.99 0.00 1.55 1.51 0.81 0.73 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 6 T 7.23 2.48 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 7 V 7.47 3.30 1.09 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 0.82 0.00 0.00 0.85 0.00 0.00 8 V 6.84 3.38 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 0.90 0.00 0.00 0.61 0.00 0.00 9 Q 7.58 3.95 0.00 2.05 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 10 F 8.02 4.49 0.00 3.00 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 11 S 7.95 4.37 0.00 4.05 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 12 K 7.91 4.00 0.00 1.80 1.91 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.46 7.81 *14 L 7.88 4.26 0.00 1.79 1.75 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.25 4.01 0.00 2.06 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.61 7.81 16 N 8.52 4.36 0.00 2.68 3.05 0.00 0.00 6.65 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.83 4.01 0.00 1.81 1.95 1.05 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.28 4.46 0.00 2.90 3.06 0.00 0.00 7.22 7.50 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 19 A 8.26 4.35 1.43 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 20 I 8.12 3.59 2.01 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 1.54 1.01 0.58 0.00 0.00 21 F 8.21 4.15 0.00 3.30 3.12 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 22 D 8.12 4.43 0.00 2.91 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 23 K 8.05 4.02 0.00 1.90 1.82 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.50 7.81 24 A 7.96 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.68 3.97 0.00 2.26 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 2.41 2.63 0.00 26 A 8.12 4.01 1.39 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 0.00 0.00 27 F 8.52 4.02 0.00 3.11 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 28 A 8.44 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.19 3.79 0.00 2.07 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 2.28 2.30 0.00 30 L 7.86 3.86 0.00 1.84 1.68 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.03 4.01 0.00 0.89 1.37 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.10 0.76 7.81 32 K 7.11 3.75 0.00 2.02 1.79 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.38 1.22 7.81 33 V 7.65 4.39 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 0.89 0.00 0.00 0.92 0.00 0.00 34 D 8.24 4.59 0.00 2.73 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 *36 D 8.65 4.56 0.00 2.83 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 37 V 7.87 3.60 2.32 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 0.94 0.00 0.00 0.96 0.00 0.00 38 L 7.92 4.18 0.00 1.82 1.75 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.07 4.13 0.00 1.86 1.76 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.84 4.82 0.00 2.86 2.88 0.00 0.00 7.07 7.59 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 41 S 7.55 4.50 0.00 4.01 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 42 R 7.95 4.94 0.00 1.90 1.91 0.00 3.03 0.00 0.00 3.53 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 43 L 8.34 4.26 0.00 1.80 1.69 0.85 0.63 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 44 A 7.49 4.58 1.20 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 0.00 0.00 45 A 8.78 4.02 1.29 0.00 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0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 54 V 8.03 3.61 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 1.00 0.00 0.00 1.23 0.00 0.00 55 Q 8.17 3.92 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 56 I 8.19 3.64 1.61 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.60 0.00 0.00 57 A 8.15 3.90 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 58 C 8.10 4.02 0.00 3.09 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 59 D 8.12 4.34 0.00 2.76 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 60 T 8.17 3.85 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 1.09 0.00 0.00 61 A 7.74 3.89 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 62 K 8.32 4.09 0.00 1.91 1.88 0.00 1.30 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 0.95 7.81 63 V 8.36 3.79 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 64 G 8.32 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.01 3.67 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.01 0.00 0.00 0.98 0.00 0.00 66 A 8.20 4.13 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 0.00 0.00 0.00 0.00 0.00 67 R 8.38 3.78 0.00 1.77 1.63 0.00 2.68 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.75 0.00 68 L 8.09 4.09 0.00 1.71 1.77 1.25 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.65 4.21 4.17 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 0.38 0.00 0.00 70 G 7.50 3.87 0.00 0.00 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0.00 0.00 0.00 87 E 8.00 4.04 0.00 2.17 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 2.30 2.32 0.00 88 L 7.82 3.87 0.00 1.57 1.44 0.70 0.89 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 89 R 8.23 3.84 0.00 1.92 1.94 0.00 3.10 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 90 Q 7.99 3.95 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 91 R 8.15 3.76 0.00 1.91 1.98 0.00 2.96 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.33 0.00 92 I 7.97 3.65 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.55 0.96 0.00 0.00 93 A 8.17 4.00 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 94 S 8.33 4.08 0.00 4.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 7.78 3.77 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 1.23 0.00 0.00 1.03 0.00 0.00 96 L 8.18 4.06 0.00 1.94 1.75 0.95 0.64 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 97 T 8.18 3.92 4.48 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 1.28 0.00 0.00 98 Y 8.30 4.42 0.00 3.16 3.32 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 99 L 8.62 4.18 0.00 1.80 1.74 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.17 4.25 0.00 2.26 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 2.40 2.52 0.00 101 G 7.84 3.64 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 0.00 0.00 0.00 102 F 7.40 4.80 0.00 3.30 3.34 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 0.00 103 S 9.71 4.70 0.00 3.78 3.90 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 0.00 104 E 7.99 3.57 0.00 1.85 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 2.22 1.79 0.00 105 A 7.66 4.14 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.30 4.54 0.00 3.15 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 F 8.41 4.56 0.00 3.51 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 0.00 108 A 7.86 4.15 1.39 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 0.00 0.00 109 N 8.05 5.08 0.00 2.76 2.82 0.00 0.00 6.99 7.80 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 0.00 110 A 8.62 4.30 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 0.00 0.00 111 A 8.51 4.26 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 0.00 0.00 0.00 0.00 0.00 112 T 7.74 4.56 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 1.27 0.00 0.00 113 I 7.69 3.81 2.01 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 1.20 1.30 0.99 0.00 0.00 114 Q 8.50 4.96 0.00 1.72 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.45 0.00 0.00 0.00 0.00 0.00 1.92 2.17 0.00 115 I 9.29 4.46 1.93 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.77 0.14 0.00 0.00 116 S 8.34 5.02 0.00 3.97 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 0.00 117 Q 6.52 3.79 0.00 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.17 6.67 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 118 P 0.00 4.15 0.00 1.98 2.06 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 119 R 7.80 4.45 0.00 1.83 1.81 0.00 3.25 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 120 W 8.17 4.87 0.00 3.56 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 9.04 3.83 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.67 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 122 G 8.68 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 0.00 123 K 7.72 4.33 0.00 1.90 1.68 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.53 7.81 124 Y 8.00 5.53 0.00 3.15 2.99 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 0.00 125 L 9.19 5.04 0.00 1.89 1.77 1.08 0.81 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 0.00 126 T 9.04 4.60 4.58 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 1.37 0.00 0.00 127 G 9.13 4.42 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 0.00 128 Y 8.23 4.03 0.00 3.20 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 0.00 129 E 8.40 4.01 0.00 2.39 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 2.45 2.50 0.00 130 F 8.87 4.30 0.00 3.30 3.43 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 0.00 131 A 8.34 3.81 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 0.00 132 I 7.44 3.63 1.77 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.27 0.82 0.00 0.00 133 E 8.30 4.45 0.00 2.07 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 2.26 2.36 0.00 134 H 7.83 4.56 0.00 3.16 3.02 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.02 3.85 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 0.00 136 I 7.67 3.82 2.03 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 1.78 1.28 1.18 0.00 0.00 137 P 0.00 4.41 0.00 2.15 2.14 0.00 3.64 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 138 N 8.23 4.36 0.00 2.95 2.86 0.00 0.00 6.67 6.09 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 0.00 139 L 7.80 3.72 0.00 1.22 1.27 0.12 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 140 Y 7.67 4.17 0.00 3.18 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 0.00 141 F 8.48 3.97 0.00 3.17 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.37 4.47 0.00 3.32 3.59 0.00 5.67 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 0.00 143 I 7.90 3.79 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 1.04 0.00 0.00 144 T 8.21 3.83 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 0.91 0.00 0.00 145 T 7.92 3.70 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 1.17 0.00 0.00 146 A 8.18 3.98 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 0.00 147 Y 8.26 4.00 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.59 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 0.00 0.00 0.00 149 I 7.92 3.70 1.99 0.00 0.00 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 1.52 1.10 0.91 0.00 0.00 150 L 7.64 3.74 0.00 1.53 1.35 0.26 0.63 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 0.00 151 R 8.07 3.73 0.00 1.44 1.92 0.00 2.95 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 152 H 8.34 4.12 0.00 3.13 3.50 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 N 7.58 4.57 0.00 2.78 2.74 0.00 0.00 7.25 7.92 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 0.00 154 G 7.27 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 0.00 0.00 0.00 155 V 6.77 2.98 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 0.61 0.00 0.00 0.24 0.00 0.00 156 E 8.44 4.26 0.00 2.01 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 2.29 2.34 0.00 157 V 6.95 4.22 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 0.47 0.00 0.00 0.07 0.00 0.00 158 G 9.23 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 0.00 0.00 0.00 0.00 159 K 8.74 3.94 0.00 1.87 1.86 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.52 1.65 7.81 160 K 8.14 4.04 0.00 1.99 1.90 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 1.10 7.81 161 D 8.07 4.43 0.00 2.99 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 Y 8.06 4.29 0.00 2.76 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 0.00 163 L 8.24 4.03 0.00 1.69 1.70 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.30 3.79 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 0.00 0.00 0.00 165 A 7.92 4.10 1.24 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 0.00 0.00 *167 P 0.00 4.16 0.00 2.17 2.10 0.00 3.55 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 1.80 1.92 0.00 168 Y 7.37 4.44 0.00 3.03 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 0.00 169 K 8.54 4.70 0.00 1.74 1.70 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.60 7.81 170 A 8.25 4.63 1.24 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 0.00 0.00 171 P 0.00 4.41 0.00 2.05 2.00 0.00 3.62 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 2.02 2.07 0.00 172 I 8.26 4.46 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.98 0.00 0.00 173 L 7.62 4.14 0.00 1.55 1.50 0.92 0.87 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 * Residues marked with a * may have inaccurate shift predictions.