NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5363 8.4444 117.3750 54.1915 29.2072 171.7537 *2 R 4.2766 8.4259 117.6675 58.4102 30.9457 175.5656 3 H 4.9733 8.9776 122.6818 53.9741 32.9282 172.5437 4 I 4.6292 7.9307 123.2197 59.7414 39.6254 174.5403 5 I 4.8049 9.0050 129.3613 59.6976 39.4175 175.0327 6 S 5.0308 8.4370 123.9966 57.1733 64.3738 173.3665 7 L 5.2257 8.4268 123.2616 52.8462 45.5359 174.9425 8 L 4.9899 8.6181 124.9234 52.6774 44.2809 175.3105 *10 E 4.3389 8.6027 124.1250 56.4939 30.5482 175.1415 11 N 4.7812 8.0745 118.8745 52.7444 37.3160 175.1454 12 E 3.8544 8.0740 119.2365 56.5329 29.9054 175.8677 13 A 3.9748 8.6826 126.5497 53.8573 18.5375 177.1149 14 G 3.8760 9.0614 110.1021 47.0268 0.0000 174.6703 15 A 3.9515 8.1924 123.2994 55.5133 18.2136 179.4741 16 L 3.7683 7.6007 116.5711 59.1630 41.8977 178.8846 17 S 4.2252 8.1696 111.9117 61.7247 61.9233 176.6463 18 R 3.8858 7.7684 121.0208 59.1583 29.3832 178.7151 19 V 3.5913 7.9638 117.9682 65.9974 31.6228 177.8893 20 A 4.1945 8.7403 121.0921 55.1070 17.9251 179.8202 21 G 3.6172 8.3311 104.5367 47.7299 0.0000 175.9922 22 L 3.9576 7.6148 120.9691 57.1557 41.4021 179.8259 23 F 4.1096 7.5140 117.5842 60.6954 39.0917 177.5826 24 S 4.1639 8.2501 114.6226 61.9097 62.4696 176.5572 25 A 4.1049 9.2517 121.7144 55.2183 18.1583 178.8268 26 R 4.1451 7.3045 113.1980 55.7743 30.2474 176.5240 27 G 3.7562 8.2114 105.3149 47.2048 0.0000 172.8147 28 Y 5.1498 7.9965 117.5015 55.6983 39.4852 175.3628 29 N 4.4524 8.8688 123.8363 53.2375 39.6335 174.2965 30 I 3.8473 8.2306 126.9588 60.6882 37.2423 175.3029 31 E 4.2337 8.4222 128.1765 58.8390 29.8783 176.9290 32 S 4.7612 7.6768 111.9808 57.1941 66.8822 172.1964 33 L 4.7890 8.0411 120.4356 54.4299 44.7720 174.2901 34 S 4.8960 8.8104 121.2387 56.9267 66.9051 173.9458 35 V 4.8559 8.2910 122.1858 60.4986 34.3140 173.7621 36 A 4.6382 8.8734 123.9714 50.0061 23.1398 173.6292 37 P 4.7793 0.0000 0.0000 63.7908 32.1184 176.4418 38 T 4.5582 8.1206 113.4825 60.0042 70.9761 173.8372 39 E 3.9111 9.0814 122.2482 60.3091 29.7310 177.9143 *40 D 4.5789 8.2167 119.0478 51.7792 39.3596 177.8791 41 P 4.5693 0.0000 0.0000 63.9781 31.2121 176.9402 42 T 4.3987 7.7919 112.4402 61.7668 68.3863 172.9977 43 L 5.0688 8.3459 121.1026 53.6795 44.8559 175.6430 44 S 5.1577 8.6027 117.4559 56.9485 67.0685 173.5730 45 R 4.8681 8.2661 123.0447 54.3987 33.1474 174.6101 *47 T 4.6204 8.1207 114.8098 63.4834 70.3816 173.3405 48 L 4.9868 8.6232 126.3158 53.6348 45.7911 174.6290 49 V 4.7352 8.4088 126.3740 61.6344 33.9277 174.4090 50 T 4.5779 8.6565 121.0601 61.0930 71.8539 171.8210 51 N 4.9206 8.1689 119.8761 52.2946 41.8905 174.7462 52 G 3.4703 7.8700 111.7646 44.9775 0.0000 169.5173 53 P 4.6890 0.0000 0.0000 61.8486 32.8143 176.1706 54 D 4.3992 9.1695 125.1693 58.5008 40.7723 179.8674 *55 E 4.0545 8.4381 120.2533 61.9021 29.6285 181.6399 *56 I 3.9019 7.7536 121.1527 64.8835 35.5686 179.9302 57 V 3.8473 7.8920 119.9905 66.2378 31.3983 177.5297 58 E 4.0957 8.7055 120.8374 60.3121 29.2533 180.2937 *59 Q 4.0001 8.1129 120.4037 60.2720 27.9714 181.6427 60 I 3.7149 7.9170 121.9753 65.1804 37.0932 179.0612 61 T 4.2823 8.3084 119.0093 67.1406 68.0673 176.5542 62 K 3.9405 8.1391 125.3176 59.7853 31.5830 180.8891 63 Q 4.1593 7.8604 118.6667 58.9778 29.0882 179.6998 64 L 4.0831 8.8248 120.3629 58.1119 41.5105 179.2226 65 N 4.3128 8.2221 115.1323 56.5429 38.5736 177.1615 66 K 4.1823 7.6520 118.0523 57.1337 32.8460 177.5458 67 L 4.1247 7.4702 121.2264 54.3190 42.0151 178.1224 68 I 3.7661 8.3481 123.6777 63.8824 38.1898 176.8290 69 E 4.0290 8.1571 118.4604 57.9070 29.5562 176.5140 70 V 4.2003 7.3383 118.7520 61.1471 32.4818 175.4389 71 V 3.8651 8.8911 128.3044 65.2110 31.8903 175.9438 72 K 4.9133 7.5454 117.2546 55.0177 36.6064 174.7474 73 L 5.2009 8.2956 121.3159 54.4882 43.6140 174.8619 74 I 4.6499 8.4307 119.6288 59.3142 42.3991 173.8244 75 D 4.7617 8.5230 126.2067 52.8150 40.9034 176.4531 76 L 3.8829 8.6909 130.0529 58.2256 42.1910 179.2994 77 S 4.4016 7.9490 113.5248 60.5118 62.8503 175.2885 78 S 4.3727 8.1057 114.4567 59.6378 63.1714 173.4117 79 E 4.7424 7.7752 119.6615 53.7758 33.0091 174.5421 80 G 4.0256 8.5955 109.2442 47.4404 0.0000 171.9113 81 Y 5.5072 7.9043 120.4636 55.7899 41.3871 174.2178 82 V 4.7137 8.7957 113.5209 59.7040 35.0376 174.7426 83 E 5.3336 8.6700 120.3446 55.1924 32.8851 174.6478 84 R 4.9284 8.8847 119.6743 54.8715 35.1189 173.9729 85 E 5.0200 9.6835 121.8144 54.5957 33.7048 174.5835 86 L 5.0604 7.8346 122.5241 52.3638 46.0431 174.7155 *88 L 4.4272 8.1381 118.7191 54.5420 43.3974 176.4133 89 V 4.6316 8.7774 124.0994 60.9229 34.5222 173.9877 90 K 4.9221 8.9734 130.4963 55.5196 33.5512 175.6737 91 V 4.9183 8.9755 120.8019 59.2226 35.6101 174.9907 92 R 4.3012 8.9783 125.4397 56.5354 30.4165 176.4028 93 A 4.5315 8.9056 128.8242 49.6317 19.4274 175.0457 94 V 4.3819 7.7701 113.2224 60.0401 36.5745 177.9957 95 G 3.7401 8.3522 113.4206 47.3940 0.0000 178.2121 96 K 4.1612 8.5573 125.6571 56.5647 31.6740 177.3147 97 D 4.6356 7.7394 115.5348 56.9701 40.7421 178.4533 98 R 4.0467 7.7316 118.8456 59.1017 30.3363 178.1498 99 E 4.2010 8.1399 118.6450 59.1614 29.7510 178.7615 100 E 4.1908 7.8594 114.9813 57.1865 29.3300 177.9346 *102 K 4.1995 7.9928 120.6490 56.1058 34.3234 178.0018 103 R 3.9716 8.3481 117.9122 59.1991 29.8411 178.9101 104 L 4.1585 8.0244 118.4590 57.7860 41.5982 179.2128 105 A 4.2075 8.2745 120.1060 55.5321 18.2853 179.1288 106 D 4.3372 8.3177 117.0850 57.7225 40.7388 179.2003 107 I 3.7062 8.0498 119.0687 64.4278 37.2827 177.9654 108 F 4.1641 8.6924 115.5483 57.2276 39.1062 175.5237 109 R 3.8161 8.0742 116.9409 57.3801 27.6439 176.1284 110 G 4.1337 8.2677 105.0762 44.8750 0.0000 173.4836 111 N 5.1599 8.7873 116.1081 51.2617 42.6231 174.3405 112 I 4.5001 8.3592 124.4226 60.9551 37.7015 175.6460 113 I 4.5181 8.6882 119.3486 60.5066 38.8967 175.0289 114 D 4.8798 7.8366 123.2253 53.0960 44.6781 174.0340 115 V 5.2212 8.4871 124.8657 60.5006 34.5546 174.4642 116 T 4.7707 8.7870 114.0164 59.2335 71.8073 174.0104 117 N 4.3591 8.8523 117.7374 56.1884 38.5699 175.6324 118 E 4.8573 8.4564 114.7767 55.7305 31.9218 175.6838 119 L 5.0520 7.7158 118.0334 54.5207 44.6578 174.5170 120 Y 5.5190 8.6925 116.5300 56.7017 42.4056 174.6343 121 T 5.0600 9.0248 119.1967 62.0770 71.1532 173.2742 122 I 4.6926 8.9306 128.0053 59.5527 39.8044 174.1953 123 E 4.7723 9.2484 128.0025 54.4719 31.5367 174.3313 124 L 4.9093 8.2060 127.5562 53.5943 45.7486 174.7610 125 T 4.7685 8.5218 121.7905 61.5700 71.9418 173.6250 126 G 4.0804 8.8566 111.8586 46.3996 0.0000 172.3428 127 T 4.4743 8.0104 109.8965 61.5444 69.3278 174.9966 128 R 4.0748 9.2908 123.2487 59.1559 29.9618 178.8521 129 S 4.1733 8.0677 113.5645 60.9804 63.0511 176.1989 130 K 4.1012 7.8746 123.0616 59.5695 32.0588 178.7218 131 L 4.0124 7.7970 118.9479 58.0425 41.4632 179.3406 132 D 4.5236 8.5264 119.0837 57.3348 40.5053 179.1217 133 G 3.7539 8.1388 105.5631 47.4890 0.0000 175.2962 134 F 2.9865 8.3633 123.2091 60.7488 39.2479 177.2921 135 L 4.0020 8.0235 118.5780 57.9483 41.2239 179.4251 136 Q 4.0629 8.2576 117.0625 58.8590 28.6467 178.5368 137 A 4.1145 7.3873 120.6686 52.9196 18.8284 177.7158 138 V 3.7895 6.4138 116.1407 61.3904 32.5811 175.5203 139 D 4.3880 8.6653 126.7949 55.1147 40.7642 177.2452 140 C 4.3758 8.6456 117.6014 59.6974 30.0536 174.4899 141 N 4.5980 8.0173 116.9449 54.0541 37.5322 175.4843 142 L 4.2513 7.8618 119.2713 55.7121 42.4645 176.2110 143 I 4.5278 7.2280 119.4609 60.7017 36.9762 175.4856 144 L 4.4386 9.3692 128.2548 57.1638 42.4131 176.9921 145 E 4.8154 7.6493 113.6980 55.7599 32.5926 174.5271 146 I 5.1266 8.3165 119.8431 59.5511 41.2231 174.7873 147 A 4.6661 8.9968 127.5528 50.1765 21.1284 175.3533 148 R 4.8082 8.5932 122.6292 55.0767 32.4524 175.6043 149 T 4.0393 9.0634 115.9462 61.5226 69.5951 174.9085 150 G 4.0676 7.9857 111.5241 44.0766 0.0000 173.3553 151 V 3.9066 8.0892 119.1022 62.9421 32.7578 175.2295 152 S 4.6647 9.0241 121.0819 56.5426 64.6056 172.9370 153 G 4.5849 8.6965 113.3640 44.5602 0.0000 171.0618 154 L 5.0885 8.6796 120.3495 52.4219 46.3615 176.5049 155 S 4.8333 8.7255 117.1404 58.7963 63.5774 174.5469 156 R 3.9805 9.0796 122.0103 56.8235 30.3691 179.0298 157 G 3.7078 8.6421 109.0658 46.7854 0.0000 174.9081 158 E 4.0492 8.7962 119.5429 58.2409 29.9849 177.0325 159 R 3.9113 8.0438 118.8258 56.9228 30.1686 175.7693 160 V 4.5664 8.0422 117.1359 59.3769 35.7636 176.3806 161 L 4.0348 8.7013 125.4916 58.0483 42.1492 178.5735 162 K 3.9813 8.2342 118.3029 59.5084 32.6292 177.1350 163 L 4.2955 7.3982 122.9480 54.2644 40.9586 181.2490 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 *0 H 8.44 4.54 0.00 2.95 2.86 0.00 7.20 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 R 8.43 4.28 0.00 1.78 1.84 0.00 3.13 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 3 H 8.98 4.97 0.00 3.10 3.10 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.93 4.63 1.57 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.70 0.76 0.00 0.00 5 I 9.00 4.80 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.87 1.00 0.00 0.00 6 S 8.44 5.03 0.00 3.71 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 7 L 8.43 5.23 0.00 1.62 1.53 1.02 0.57 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 8 L 8.62 4.99 0.00 1.80 1.51 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 *10 E 8.60 4.34 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 11 N 8.07 4.78 0.00 2.76 2.90 0.00 0.00 6.96 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 12 E 8.07 3.85 0.00 2.02 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 2.40 2.26 0.00 13 A 8.68 3.97 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 14 G 9.06 3.88 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 0.00 0.00 0.00 15 A 8.19 3.95 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 16 L 7.60 3.77 0.00 1.80 1.69 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.17 4.23 0.00 3.94 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 7.77 3.89 0.00 2.10 2.02 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 19 V 7.96 3.59 2.27 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 1.15 0.00 0.00 0.97 0.00 0.00 20 A 8.74 4.19 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 21 G 8.33 3.62 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 0.00 22 L 7.61 3.96 0.00 1.37 1.44 0.82 0.92 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 23 F 7.51 4.11 0.00 3.18 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 24 S 8.25 4.16 0.00 4.01 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 25 A 9.25 4.10 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 26 R 7.30 4.15 0.00 1.62 1.62 0.00 3.30 0.00 0.00 3.16 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 27 G 8.21 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 0.00 0.00 0.00 28 Y 8.00 5.15 0.00 3.21 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.87 4.45 0.00 2.72 2.75 0.00 0.00 7.22 7.94 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 30 I 8.23 3.85 1.82 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 1.30 0.66 0.78 0.00 0.00 31 E 8.42 4.23 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 32 S 7.68 4.76 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.04 4.79 0.00 1.59 1.50 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.81 4.90 0.00 3.87 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 35 V 8.29 4.86 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 0.68 0.00 0.00 0.98 0.00 0.00 36 A 8.87 4.64 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.78 0.00 1.95 2.02 0.00 3.65 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 2.03 2.10 0.00 38 T 8.12 4.56 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 1.26 0.00 0.00 39 E 9.08 3.91 0.00 1.96 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 2.32 2.38 0.00 *40 D 8.22 4.58 0.00 2.62 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 41 P 0.00 4.57 0.00 2.17 2.21 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 42 T 7.79 4.40 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 1.21 0.00 0.00 43 L 8.35 5.07 0.00 1.68 1.50 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.60 5.16 0.00 3.73 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 45 R 8.27 4.87 0.00 1.95 1.81 0.00 3.39 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 *47 T 8.12 4.62 4.39 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 1.16 0.00 0.00 48 L 8.62 4.99 0.00 1.60 1.51 0.71 -0.11 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 49 V 8.41 4.74 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 0.80 0.00 0.00 0.86 0.00 0.00 50 T 8.66 4.58 3.81 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 1.10 0.00 0.00 51 N 8.17 4.92 0.00 2.44 2.52 0.00 0.00 6.69 7.65 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 52 G 7.87 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 0.00 0.00 0.00 53 P 0.00 4.69 0.00 2.27 2.22 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.08 0.00 54 D 9.17 4.40 0.00 2.72 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 *55 E 8.44 4.05 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.96 0.00 *56 I 7.75 3.90 1.87 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 1.41 0.54 0.91 0.00 0.00 57 V 7.89 3.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.95 0.00 0.00 58 E 8.71 4.10 0.00 2.20 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 2.34 2.34 0.00 *59 Q 8.11 4.00 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 60 I 7.92 3.71 1.76 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 1.52 0.67 -0.00 0.00 0.00 61 T 8.31 4.28 4.33 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 1.21 0.00 0.00 62 K 8.14 3.94 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.36 7.81 63 Q 7.86 4.16 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.91 0.00 0.00 0.00 0.00 0.00 2.36 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0.00 1.80 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.43 1.01 7.81 73 L 8.30 5.20 0.00 1.80 1.59 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.43 4.65 1.88 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 1.11 1.46 0.94 0.00 0.00 75 D 8.52 4.76 0.00 2.76 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 76 L 8.69 3.88 0.00 1.76 1.23 0.91 0.62 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 77 S 7.95 4.40 0.00 3.95 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 78 S 8.11 4.37 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 79 E 7.78 4.74 0.00 1.95 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 2.32 0.00 80 G 8.60 4.03 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 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.45 0.00 99 E 8.14 4.20 0.00 2.07 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 0.00 2.41 2.40 0.00 100 E 7.86 4.19 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 *102 K 7.99 4.20 0.00 1.87 2.10 0.00 1.56 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.53 7.81 103 R 8.35 3.97 0.00 2.21 2.02 0.00 3.21 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 104 L 8.02 4.16 0.00 1.82 1.91 0.44 1.11 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 0.00 105 A 8.27 4.21 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 0.00 106 D 8.32 4.34 0.00 2.93 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 0.00 107 I 8.05 3.71 2.11 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 0.67 0.70 0.00 0.00 108 F 8.69 4.16 0.00 3.30 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 0.00 109 R 8.07 3.82 0.00 2.25 2.05 0.00 3.26 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 110 G 8.27 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 0.00 0.00 0.00 111 N 8.79 5.16 0.00 2.55 2.62 0.00 0.00 7.48 7.99 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 0.00 112 I 8.36 4.50 1.66 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 1.15 0.27 0.75 0.00 0.00 113 I 8.69 4.52 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.91 0.00 0.00 114 D 7.84 4.88 0.00 2.79 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.49 5.22 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 0.87 0.00 0.00 1.12 0.00 0.00 116 T 8.79 4.77 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 1.23 0.00 0.00 117 N 8.85 4.36 0.00 2.72 2.93 0.00 0.00 6.62 7.66 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 0.00 118 E 8.46 4.86 0.00 1.89 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 2.17 2.21 0.00 119 L 7.72 5.05 0.00 1.91 1.66 0.96 0.73 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 0.00 120 Y 8.69 5.52 0.00 2.91 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 0.00 121 T 9.02 5.06 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 1.21 0.00 0.00 122 I 8.93 4.69 1.78 0.00 0.00 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 1.11 0.83 0.72 0.00 0.00 123 E 9.25 4.77 0.00 1.94 1.89 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 2.16 2.19 0.00 124 L 8.21 4.91 0.00 1.27 1.11 0.97 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.52 4.77 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 1.21 0.00 0.00 126 G 8.86 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 0.00 127 T 8.01 4.47 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 1.23 0.00 0.00 128 R 9.29 4.07 0.00 2.08 2.15 0.00 3.14 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 129 S 8.07 4.17 0.00 4.13 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.87 4.10 0.00 1.98 2.10 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.58 1.86 7.81 131 L 7.80 4.01 0.00 1.91 1.72 1.04 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 132 D 8.53 4.52 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.14 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 8.36 2.99 0.00 2.31 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.02 4.00 0.00 1.92 1.71 0.94 1.03 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 0.00 136 Q 8.26 4.06 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 137 A 7.39 4.11 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 0.00 138 V 6.41 3.79 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.40 0.00 0.00 139 D 8.67 4.39 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 0.00 140 C 8.65 4.38 0.00 3.09 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 0.00 141 N 8.02 4.60 0.00 2.84 2.97 0.00 0.00 6.06 7.79 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 0.00 142 L 7.86 4.25 0.00 1.86 1.73 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 143 I 7.23 4.53 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 1.34 0.48 0.93 0.00 0.00 144 L 9.37 4.44 0.00 1.51 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.65 4.82 0.00 1.99 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 0.00 2.23 2.30 0.00 146 I 8.32 5.13 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.91 0.00 0.00 147 A 9.00 4.67 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 0.00 148 R 8.59 4.81 0.00 1.76 1.75 0.00 3.22 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 149 T 9.06 4.04 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 1.20 0.00 0.00 150 G 7.99 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 0.00 151 V 8.09 3.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.97 0.00 0.00 152 S 9.02 4.66 0.00 3.91 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 0.00 153 G 8.70 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 0.00 0.00 0.00 0.00 154 L 8.68 5.09 0.00 1.61 1.53 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.73 4.83 0.00 4.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 9.08 3.98 0.00 1.70 1.86 0.00 3.26 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 157 G 8.64 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 0.00 158 E 8.80 4.05 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 159 R 8.04 3.91 0.00 1.78 2.01 0.00 3.21 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 160 V 8.04 4.57 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 0.93 0.00 0.00 0.96 0.00 0.00 161 L 8.70 4.03 0.00 1.59 1.69 0.90 0.65 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 0.00 162 K 8.23 3.98 0.00 1.90 1.95 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.45 7.81 163 L 7.40 4.30 0.00 1.73 1.46 0.92 0.80 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 * Residues marked with a * may have inaccurate shift predictions.