NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4187 8.3049 118.1899 55.0463 32.7335 174.2731 2 T 3.9256 8.0495 115.9608 62.1890 69.7809 170.3582 3 E 4.9491 9.2403 128.3610 54.7077 32.0858 174.0102 4 Y 4.8018 8.9937 124.6298 56.2343 41.0457 175.0036 5 K 4.7518 9.4734 125.5257 55.4621 33.1709 175.7437 6 L 5.0553 9.0950 126.1511 52.9602 44.5644 176.1012 7 V 4.7498 8.1683 121.2977 61.1106 34.6391 174.1214 8 V 4.7733 8.8027 127.8587 61.4748 33.3469 174.8889 9 V 4.6248 9.3893 120.2872 57.8714 36.5934 174.9587 10 G 3.7613 8.2097 108.5881 43.4396 0.0000 172.2911 11 A 4.5999 7.1712 122.4129 50.9840 18.9322 177.4529 12 G 3.7068 8.5532 109.1423 47.1339 0.0000 174.4766 13 G 3.5675 8.9829 110.9017 45.4406 0.0000 175.4194 14 V 3.5448 7.2697 112.9341 62.3359 31.8891 177.0134 15 G 4.2182 7.5587 108.3513 45.6294 0.0000 176.1163 16 K 3.9135 8.4820 121.0202 59.4162 32.0096 179.2149 17 S 4.3035 8.2624 115.8345 61.0893 62.9001 176.3930 18 A 4.0024 7.9505 122.9505 55.0409 18.1259 179.5813 19 L 3.9938 8.1518 117.5182 58.3454 41.7107 179.8676 20 T 3.6426 7.8765 115.6117 66.7101 68.3873 176.9414 21 I 3.3281 7.9089 122.1012 64.0018 36.8794 178.3642 22 Q 4.0779 8.0165 121.9215 58.4066 28.6886 177.9794 23 L 3.8028 7.4879 120.0685 58.2651 42.1918 178.6845 24 I 3.8914 7.4449 118.2558 63.3107 37.3409 176.8587 25 Q 4.4644 8.1468 115.4052 54.7521 29.7595 174.9710 26 N 4.4867 8.2850 114.0746 52.8819 36.5107 173.5362 27 H 4.8900 7.6217 110.2506 54.3282 31.6132 171.6524 28 F 4.7569 8.6472 123.0362 56.6538 40.2076 175.3875 29 V 3.7304 7.7426 128.2934 61.9007 31.2258 175.1490 30 D 3.9838 8.1938 128.5458 56.4661 41.1203 177.0914 31 E 4.2384 7.7118 115.7556 55.7754 30.6095 175.6648 32 Y 4.6018 8.2880 119.6992 55.8750 39.2617 173.7955 33 D 4.8319 8.5387 126.3858 51.3314 41.9103 174.8394 34 P 4.4355 0.0000 0.0000 63.3592 31.8731 176.5795 35 T 4.4105 8.4135 118.8843 63.0556 69.2004 173.9998 36 I 4.0491 7.5956 124.5639 61.2400 38.4099 175.5544 37 E 4.7932 7.3107 120.9905 56.0144 32.0998 174.0918 38 D 5.1075 8.8969 126.9509 52.5672 45.1273 175.2611 39 S 5.2710 8.2735 115.3274 57.1258 66.7427 173.1517 40 Y 4.8455 9.0287 119.5750 56.4370 42.1384 174.6996 41 R 5.6493 8.3968 119.8655 53.8062 34.3436 174.4199 42 K 4.5093 8.3653 121.3726 55.6019 35.7604 173.8579 43 Q 4.9567 8.6845 125.6147 55.4710 29.8108 175.5720 44 V 4.5649 9.0327 116.2047 59.8853 36.8633 173.9441 45 V 4.5784 8.3371 123.0489 61.5984 32.8813 175.1657 46 I 4.2265 8.5180 128.9532 60.4340 39.5131 175.4697 47 D 4.5396 9.8669 126.5493 55.3836 38.2330 175.0018 48 G 3.9190 8.4237 106.1156 45.1269 0.0000 173.1034 49 E 4.5209 7.8186 121.9017 54.6621 31.3721 175.0437 50 T 4.3705 8.6391 124.1883 64.0701 69.0980 173.4960 51 C 5.0959 9.5473 125.3688 57.7896 31.7492 172.9503 52 L 4.8805 8.8981 125.1476 53.6183 43.6392 174.9262 53 L 5.0381 8.9350 127.8521 53.4520 43.7890 175.1468 54 D 5.2722 9.1480 124.7359 52.7889 43.2022 174.7559 55 I 4.9814 9.0888 128.1393 59.4925 39.9142 174.5435 56 L 4.7944 9.0787 130.5349 53.8588 43.3960 174.7459 57 D 5.1399 9.4846 128.2696 53.3078 42.1137 175.7714 58 T 4.6983 8.2905 116.4298 60.4218 71.4263 173.7415 59 A 4.4154 8.4910 123.7356 50.5709 19.6664 178.8450 60 G 4.2195 8.2162 110.4941 44.7569 0.0000 173.0203 *69 D 4.6853 8.0029 124.0754 55.3669 43.7428 179.3096 70 Q 4.1976 8.2448 122.4559 61.2954 27.9866 180.7039 *71 Y 4.3270 7.8784 120.7538 61.3502 37.1893 179.1753 72 M 4.5904 7.7593 115.6129 56.8699 32.2262 177.9985 73 R 3.9640 7.5657 118.8686 59.5081 30.2512 177.0002 74 T 4.2412 7.8550 105.5556 61.8570 69.6126 175.0658 75 G 3.5139 7.9999 112.6656 46.4357 0.0000 173.1894 76 E 4.5680 8.9469 122.7049 56.8345 31.3288 176.4976 77 G 4.3862 7.4932 105.2413 44.8414 0.0000 171.9061 78 F 5.5021 9.3858 120.6421 55.3790 43.2903 173.9581 79 L 4.8427 8.9822 123.2457 53.5970 43.5172 175.4414 80 C 4.8606 9.0475 123.3131 58.5306 29.3084 172.8251 81 V 4.9415 8.6996 125.5391 61.1172 33.4531 174.6327 82 F 5.1130 8.8354 121.0811 55.2404 42.3261 172.8107 83 A 5.1778 8.8345 120.8669 49.8929 20.9515 178.0460 84 I 4.0422 8.7520 115.7002 62.6644 37.8519 177.0289 85 N 5.1836 8.0166 117.0915 51.6426 37.4006 174.6361 86 N 4.8830 8.2814 118.5344 51.5662 39.9476 174.6055 87 T 3.9668 8.5529 122.0140 66.3183 68.7343 175.7566 88 K 4.0087 8.1811 121.2234 59.5289 32.0254 178.8087 89 S 4.3005 7.8670 113.8336 61.2418 63.2177 176.1093 90 F 4.0543 8.1283 123.9079 61.1551 39.0695 177.0141 91 E 3.8787 8.3264 116.8062 58.6396 29.4716 177.9884 92 D 4.7140 7.8694 117.4426 54.3008 41.1211 178.1291 93 I 3.9521 7.6058 123.2631 64.7647 36.9591 177.7559 94 H 4.2373 8.2675 115.5110 58.8613 28.1250 177.4674 95 Q 3.8785 7.5882 120.6233 59.0406 28.2534 178.4320 96 Y 3.9455 7.7015 117.1338 60.7094 38.0298 178.2128 97 R 3.7792 7.9962 119.2324 59.2178 30.1578 178.8802 98 E 3.8891 8.3302 118.6474 59.3522 29.3429 179.2342 99 Q 3.8783 7.9185 119.5486 59.2458 29.1027 178.3306 100 I 3.3187 7.6783 120.8554 64.0351 36.9480 178.3162 101 K 3.9741 7.9610 120.4760 59.3336 31.7729 178.8633 102 R 3.8187 7.6829 117.8524 59.6769 30.1623 178.7035 103 V 3.7775 7.8690 111.0567 63.7007 31.6446 177.8594 104 K 4.2896 8.1339 115.6989 55.1622 33.3984 175.6406 105 D 4.4183 8.1168 118.5269 54.2806 40.0808 172.8014 106 S 4.6138 7.5020 109.6198 57.6280 65.5795 172.9516 107 D 4.7745 8.6163 124.1176 54.2238 41.2473 176.6904 108 D 4.7940 8.1119 119.6323 51.5265 40.9871 173.2803 109 V 4.3631 7.6314 120.5994 59.2488 34.5152 173.3576 110 P 4.4384 0.0000 0.0000 63.6885 32.0331 175.1502 111 M 5.9244 8.3921 121.9089 54.6753 36.5987 174.2339 112 V 4.5144 8.1862 119.3303 61.2708 35.6539 173.5186 113 L 4.9665 9.0588 130.1989 54.2790 43.6995 175.1186 114 V 4.6063 9.1913 127.0089 61.1156 34.2087 174.4977 115 G 3.4630 8.3858 115.9884 43.8512 0.0000 172.5472 116 N 5.0404 8.4449 126.7153 51.2136 41.6737 174.4161 117 K 4.1496 8.4343 116.9937 57.6257 29.0010 177.6286 118 C 4.3457 8.1375 113.8255 59.7346 29.6644 174.0079 119 D 4.4495 7.7538 119.4582 54.9909 39.7251 176.6935 120 L 4.2222 7.6159 119.9927 54.2943 42.2782 176.8268 121 A 4.1589 8.4280 123.9422 53.8893 19.4558 178.0860 122 A 4.3482 7.6507 121.2862 51.2136 17.5583 177.2775 123 R 4.5072 7.5884 122.3448 56.0172 31.2105 175.8830 124 T 4.4031 8.7864 114.0329 60.8792 70.4344 173.8530 125 V 4.1104 7.5810 121.7165 60.8395 32.4657 174.7899 126 E 4.2093 8.9373 127.9916 55.7453 30.3882 178.0197 127 S 4.1919 8.9019 116.4188 61.9539 62.3208 176.6727 128 R 3.8374 8.0002 120.4957 59.6266 29.5843 178.2503 129 Q 3.8917 7.8150 116.9924 58.9277 28.5909 178.7214 130 A 3.8944 7.4223 121.2088 54.9319 18.2613 179.4694 131 Q 3.8725 8.0075 116.9799 59.2549 28.8900 178.8470 132 D 4.2746 8.0718 119.8983 57.0371 40.6733 178.6453 133 L 3.5914 7.5301 120.7154 57.9640 42.1269 178.7679 134 A 4.0293 8.0658 120.9897 55.2493 18.4341 179.4971 135 R 3.8790 8.2434 117.6269 59.6326 29.9173 178.9343 136 S 4.1615 7.6661 112.5210 61.1433 63.0246 175.2910 137 Y 4.7405 7.4532 118.6788 57.5687 38.0488 175.8124 138 G 3.9440 7.9846 107.6679 46.3641 0.0000 173.1233 139 I 4.8468 7.6777 111.2496 57.8534 41.0412 173.2883 140 P 4.6381 0.0000 0.0000 62.6964 32.8267 174.5649 141 Y 5.3745 8.6062 122.8970 56.0712 41.6628 174.3182 142 I 4.3572 8.1896 126.4542 59.4553 41.3134 174.2664 143 E 4.7742 8.3356 125.9722 55.5097 30.7120 175.3825 144 T 4.8726 8.6692 112.4859 60.3151 73.4616 172.8754 145 S 4.6637 8.8028 116.0098 56.7422 64.6746 174.5818 146 A 4.0475 8.4154 130.5385 54.5554 18.6493 178.7030 147 K 2.5104 7.6962 116.7642 58.9153 32.1825 177.7990 148 T 4.0847 7.3877 105.6760 61.3016 69.6857 175.7612 149 R 3.9902 8.1354 121.2004 55.8715 28.9704 175.7273 150 Q 4.0334 7.6300 120.2893 57.3143 29.3569 177.4842 151 G 3.8882 8.8756 111.8851 46.2835 0.0000 175.4001 152 V 3.5686 7.5800 119.4673 66.2668 31.5570 177.7923 153 E 3.7469 7.9544 117.7046 59.2454 29.1973 178.8616 154 D 4.3013 7.9295 118.2827 57.1920 40.9403 178.5238 155 A 3.8594 8.1688 121.3520 55.3112 18.5623 179.7851 156 F 4.0889 7.9961 115.8067 60.9954 39.0175 177.6982 157 Y 4.2362 8.8357 116.8865 61.3006 37.6217 178.5657 158 T 3.9173 8.3156 117.0559 66.4574 68.5247 176.3992 159 L 3.9534 7.9228 122.2799 58.0871 42.0425 179.2596 160 V 3.2823 7.5491 117.7310 66.0349 31.3159 178.3445 161 R 3.9694 7.9859 117.5029 58.9510 29.5603 178.9317 162 E 4.0470 7.9932 118.1775 59.3196 29.8147 178.8850 163 I 3.9322 7.8393 119.9649 64.4403 36.9079 178.7322 164 R 4.1040 7.8035 118.2934 59.1376 29.9835 178.5558 165 Q 4.2172 7.6698 116.3645 57.7656 28.9147 175.5802 166 H 4.4157 7.8393 124.0375 56.3379 29.9009 174.5807 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 1 M 8.30 4.42 0.00 2.13 2.38 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 T 8.05 3.93 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 0.56 0.00 0.00 3 E 9.24 4.95 0.00 1.88 1.72 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 2.18 2.39 0.00 4 Y 8.99 4.80 0.00 2.88 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.47 4.75 0.00 1.68 1.73 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.40 7.81 6 L 9.10 5.06 0.00 1.63 1.62 1.13 0.67 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 7 V 8.17 4.75 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 1.14 0.00 0.00 0.60 0.00 0.00 8 V 8.80 4.77 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 0.91 0.00 0.00 1.08 0.00 0.00 9 V 9.39 4.62 2.21 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 1.05 0.00 0.00 1.09 0.00 0.00 10 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 11 A 7.17 4.60 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 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 13 G 8.98 3.57 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 0.00 14 V 7.27 3.54 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 0.76 0.00 0.00 0.92 0.00 0.00 15 G 7.56 4.22 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 0.00 16 K 8.48 3.91 0.00 1.82 1.90 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.50 7.81 17 S 8.26 4.30 0.00 3.87 3.94 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 18 A 7.95 4.00 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 19 L 8.15 3.99 0.00 2.01 1.94 0.85 0.58 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 20 T 7.88 3.64 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 0.73 0.00 0.00 21 I 7.91 3.33 1.77 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 1.17 0.42 0.73 0.00 0.00 22 Q 8.02 4.08 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.23 0.00 23 L 7.49 3.80 0.00 1.30 1.30 0.76 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.44 3.89 1.66 0.00 0.00 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 1.34 0.72 0.94 0.00 0.00 25 Q 8.15 4.46 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 26 N 8.28 4.49 0.00 2.91 2.90 0.00 0.00 6.74 8.17 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 27 H 7.62 4.89 0.00 3.35 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.65 4.76 0.00 2.88 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.74 3.73 1.84 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 0.80 0.00 0.00 0.84 0.00 0.00 30 D 8.19 3.98 0.00 2.62 2.67 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 31 E 7.71 4.24 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 32 Y 8.29 4.60 0.00 2.83 2.77 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 0.00 0.00 0.00 0.00 33 D 8.54 4.83 0.00 2.73 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 34 P 0.00 4.44 0.00 2.04 2.05 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 35 T 8.41 4.41 4.32 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 1.35 0.00 0.00 36 I 7.60 4.05 1.89 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 1.32 0.81 0.93 0.00 0.00 37 E 7.31 4.79 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 2.13 2.34 0.00 38 D 8.90 5.11 0.00 2.68 2.29 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 39 S 8.27 5.27 0.00 3.61 3.68 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 40 Y 9.03 4.85 0.00 2.81 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 41 R 8.40 5.65 0.00 1.64 1.78 0.00 3.38 0.00 0.00 3.80 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 42 K 8.37 4.51 0.00 1.81 1.58 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.45 7.81 43 Q 8.68 4.96 0.00 1.98 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.54 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 44 V 9.03 4.56 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 0.79 0.00 0.00 0.85 0.00 0.00 45 V 8.34 4.58 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 0.79 0.00 0.00 0.93 0.00 0.00 46 I 8.52 4.23 1.59 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.39 0.53 0.00 0.00 47 D 9.87 4.54 0.00 2.75 2.71 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 48 G 8.42 3.92 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 0.00 0.00 0.00 49 E 7.82 4.52 0.00 2.09 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 2.28 2.30 0.00 50 T 8.64 4.37 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 1.22 0.00 0.00 51 C 9.55 5.10 0.00 2.93 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 52 L 8.90 4.88 0.00 1.73 1.53 0.93 0.58 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 53 L 8.94 5.04 0.00 1.63 1.61 0.93 0.75 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 54 D 9.15 5.27 0.00 2.79 2.55 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0.00 0.00 0.00 137 Y 7.45 4.74 0.00 3.08 2.91 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 0.00 0.00 0.00 138 G 7.98 3.94 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 0.00 0.00 0.00 139 I 7.68 4.85 2.17 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 1.04 0.00 0.00 140 P 0.00 4.64 0.00 2.13 2.04 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 141 Y 8.61 5.37 0.00 3.08 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 0.00 142 I 8.19 4.36 1.69 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 1.12 0.69 0.74 0.00 0.00 143 E 8.34 4.77 0.00 1.66 1.71 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 1.97 1.99 0.00 144 T 8.67 4.87 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 1.08 0.00 0.00 145 S 8.80 4.66 0.00 3.76 3.59 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 0.00 146 A 8.42 4.05 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 0.00 147 K 7.70 2.51 0.00 0.79 1.33 0.00 1.45 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.97 0.38 7.81 148 T 7.39 4.08 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 1.07 0.00 0.00 149 R 8.14 3.99 0.00 2.02 2.12 0.00 3.22 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 150 Q 7.63 4.03 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 151 G 8.88 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 0.00 0.00 0.00 152 V 7.58 3.57 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 1.11 0.00 0.00 0.97 0.00 0.00 153 E 7.95 3.75 0.00 1.73 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 2.11 2.21 0.00 154 D 7.93 4.30 0.00 2.81 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 0.00 155 A 8.17 3.86 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 0.00 156 F 8.00 4.09 0.00 3.12 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 0.00 157 Y 8.84 4.24 0.00 3.03 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 0.00 158 T 8.32 3.92 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 1.22 0.00 0.00 159 L 7.92 3.95 0.00 1.84 1.87 1.01 0.84 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 0.00 160 V 7.55 3.28 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 0.09 0.00 0.00 0.59 0.00 0.00 161 R 7.99 3.97 0.00 2.04 1.96 0.00 3.19 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.89 0.00 162 E 7.99 4.05 0.00 2.16 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 2.56 2.52 0.00 163 I 7.84 3.93 2.12 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 1.72 1.22 1.12 0.00 0.00 164 R 7.80 4.10 0.00 2.01 2.04 0.00 3.11 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 165 Q 7.67 4.22 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.68 0.00 166 H 7.84 4.42 0.00 3.25 3.41 0.00 5.98 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 * Residues marked with a * may have inaccurate shift predictions.