NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3745 8.2993 122.1447 54.3523 32.3477 175.4429 5 I 3.8727 8.2979 119.3138 60.1976 38.0135 173.8645 6 S 4.8681 8.1532 114.9893 58.9454 65.9740 175.2528 7 A 4.6102 8.6810 121.8346 52.2708 20.0764 177.2886 8 L 4.4711 7.5875 116.4328 54.9087 40.5042 177.7858 *13 G 3.9735 9.0457 115.0290 46.2721 0.0000 172.6138 14 E 3.8336 8.2887 119.3684 56.1908 29.7862 176.6191 15 L 4.3031 8.3985 126.0716 54.1759 42.7086 177.5849 16 S 4.3915 8.0881 117.1703 58.0136 65.0211 175.5918 17 E 3.9172 8.5598 122.1320 59.1035 29.3120 177.7111 18 P 4.2288 0.0000 0.0000 65.9419 31.4991 178.7310 19 T 3.7147 7.5765 107.9870 64.5728 68.4343 176.5281 20 K 3.9653 8.2724 121.3416 59.1262 32.0760 178.9894 21 A 3.9314 8.0657 121.0321 55.3824 18.5077 178.6628 22 Y 4.1260 8.4900 118.1024 61.3704 38.7855 178.8662 23 F 4.5702 8.3569 117.9626 60.3544 38.9113 177.4606 24 A 4.0452 8.0373 120.7100 55.1942 18.1033 179.8711 25 K 3.9330 7.9147 116.4658 59.4633 32.0412 179.3356 26 C 3.9489 7.6809 116.7764 62.7689 28.0398 175.3727 27 E 4.0983 8.1155 120.6785 59.8617 28.9278 179.0174 28 E 3.9555 7.9680 116.7933 58.8045 29.5246 179.0109 29 K 4.2162 7.9030 117.5859 58.3448 32.7831 178.2808 30 L 4.4987 8.7971 117.9590 54.1117 42.7823 177.8848 31 G 3.9111 9.9103 106.5475 44.9324 0.0000 172.2523 32 L 4.2224 7.0161 117.5620 54.8759 43.0286 174.4056 33 V 4.0323 7.7974 118.2989 60.0621 32.2789 173.2760 34 P 4.4831 0.0000 0.0000 63.2707 31.8417 177.2493 35 N 4.3750 9.8016 121.6995 56.4759 37.9310 177.8635 36 V 3.5129 8.1408 120.6595 64.7401 31.0907 178.5020 37 L 4.1945 7.9189 118.8009 57.6496 41.6909 179.2839 38 K 4.2375 7.9278 117.7633 59.4219 31.8048 179.1235 39 A 4.0811 8.0777 120.2973 54.8844 18.5683 178.5099 40 Y 3.8828 7.8381 113.0451 58.8528 37.9972 176.7465 41 A 4.2678 7.4739 121.7143 52.4950 18.3288 178.3605 42 F 4.3906 7.8002 112.8282 59.0782 38.5557 175.6375 43 D 4.4580 7.3085 120.7074 51.7448 43.5856 175.0014 44 D 4.3189 8.8404 130.6785 58.0478 40.8003 179.5572 45 K 4.0154 8.2217 124.0902 59.4355 31.7463 182.1427 46 K 4.2467 8.0770 118.3159 59.0388 31.9496 179.1339 47 L 3.9107 8.0632 121.2067 58.1236 42.0673 179.1750 48 R 3.7390 8.1901 117.9859 59.1915 30.1614 178.5358 49 A 3.9598 8.1700 120.9085 55.4168 18.3124 179.5400 50 F 3.9758 7.9490 118.6140 61.8386 39.4154 177.4697 51 T 3.8415 8.0854 115.4500 66.5507 68.1422 176.4784 52 D 4.2449 8.0156 120.7615 57.4542 40.9421 178.8484 53 I 3.5595 7.3870 119.7842 64.2811 36.8303 177.8725 54 Y 3.1816 7.6456 119.4912 60.4853 38.6714 177.5343 55 N 4.4663 8.1626 116.2201 56.4360 38.8997 176.5230 56 D 4.4111 7.9212 119.2944 57.1534 41.1236 177.5338 57 L 3.9246 7.2009 117.0513 56.6968 41.9405 177.2565 *59 L 4.2109 7.7886 116.6219 54.8576 43.5143 177.0575 60 G 3.8269 7.4866 107.3919 44.3249 0.0000 173.0138 61 E 4.0322 8.4102 120.3891 56.3398 30.1409 175.7430 62 S 4.5761 8.0026 117.2840 57.6216 64.9756 175.4325 63 G 3.8721 8.6099 112.3913 46.3413 0.0000 174.0095 64 L 4.5856 7.5947 120.5973 53.6973 42.9176 177.4526 65 S 4.4472 9.0410 118.0544 57.8783 65.1113 175.6994 66 K 3.9488 8.5049 121.3971 59.4947 31.4877 179.4079 67 L 3.9272 7.7855 119.3316 58.0574 42.2252 177.8766 68 D 4.5921 8.2127 118.3042 57.8374 41.1475 179.1483 69 R 4.1040 7.8738 117.7972 59.0967 30.0949 180.1562 70 E 4.1697 8.1972 117.6550 56.4006 29.4480 179.2746 *72 I 3.9110 7.8075 120.8715 61.3976 39.5059 177.9276 73 A 3.2219 7.7539 121.8258 54.9317 17.8849 179.9557 74 V 3.4143 7.6119 116.2964 65.9576 31.5359 178.0142 75 A 4.0319 7.8385 120.0711 55.1605 18.3445 179.5609 76 V 3.5134 7.7525 116.5712 66.4466 31.5893 178.5108 77 S 4.5942 8.0746 116.0034 60.8894 62.6176 176.8366 78 S 4.0530 8.1693 116.1015 61.4205 61.9833 176.0627 79 I 3.6828 7.3304 121.0026 64.1803 36.9825 177.2794 80 N 4.6385 7.9187 113.4936 52.3545 39.6492 174.4648 81 H 3.9291 7.5904 116.8316 56.8128 26.8989 175.7433 82 C 4.5225 8.2971 120.3115 58.1763 31.9473 172.9180 83 Y 4.3414 8.9351 129.0079 61.0671 38.2872 177.1176 84 Y 3.4945 8.0924 119.6314 61.1008 38.9348 177.8808 85 C 4.3874 8.2332 116.8838 62.4757 28.4678 175.8457 86 L 3.9617 8.3238 121.2084 58.0306 41.3155 179.7171 87 T 3.6642 7.5756 115.0544 66.4606 68.2457 176.7415 88 A 2.5800 7.4193 122.4975 55.0456 18.4026 179.2582 89 H 4.3496 8.2034 114.2174 57.6647 28.9121 178.1945 90 G 3.5726 7.9055 107.9845 47.7295 0.0000 175.3379 91 A 4.0040 7.6749 123.0278 54.8809 18.3175 179.5043 92 A 3.9716 7.6803 119.0208 55.3900 18.4143 180.0785 93 V 3.5526 7.8407 116.7031 66.1425 31.4755 178.5204 94 R 3.9291 8.0955 117.8954 59.1584 29.6662 178.9236 95 Q 3.9304 7.9552 118.2528 59.2522 29.2407 177.8298 96 L 4.1604 8.0698 119.2991 57.7571 41.7632 179.2797 97 S 4.3986 8.0741 112.9907 58.8418 63.2774 175.3903 98 G 3.8087 7.8101 109.0644 45.6866 0.0000 173.0942 99 D 4.6279 8.0710 119.1795 50.6137 42.2330 174.1133 100 P 4.2604 0.0000 0.0000 65.2799 31.1217 178.2471 101 A 4.0049 8.0375 118.5779 54.9180 18.3994 178.8516 102 L 4.1541 7.7207 118.1692 58.2307 42.4791 178.9856 103 G 3.9442 8.1256 105.0674 47.8384 0.0000 176.1729 104 E 3.8088 7.4546 118.1880 56.5828 29.2799 178.2396 *106 L 4.4441 7.9275 120.7760 54.9850 43.4535 178.3348 107 V 3.5326 7.6767 115.3533 64.3173 31.5223 175.0122 *109 N 4.4003 7.9589 117.4754 53.8056 39.1502 174.6356 110 F 4.4027 8.4687 121.6081 59.3595 38.4223 177.6932 111 R 3.7338 6.8199 119.3317 58.5594 29.7779 177.3385 112 A 4.1814 7.7445 118.8478 53.0389 18.7095 178.0340 113 A 4.1123 7.9496 118.3872 52.6492 19.2631 176.8481 114 D 4.3554 8.0139 113.6118 55.2610 37.2624 173.2457 115 L 4.5937 7.5414 118.0947 53.2927 43.9279 177.6410 116 S 4.4622 8.7637 115.6972 57.5661 65.0703 173.5176 117 P 4.2425 0.0000 0.0000 65.5757 30.7362 179.0517 118 R 3.8600 7.8170 116.3670 59.6475 30.2194 178.1638 119 Q 4.2434 7.8619 116.4051 59.1181 28.8685 178.5198 120 T 4.1519 8.3144 116.8628 66.5811 68.5124 177.1976 121 A 4.2864 7.9130 118.9884 53.1970 18.2372 178.9813 *123 L 3.9776 7.8980 122.5316 56.1185 43.9209 179.3042 124 E 4.0676 8.3760 118.4412 59.2755 29.2357 179.1760 125 F 4.1400 8.4944 120.6582 61.2172 39.5429 177.1344 126 A 3.8594 7.9981 119.9983 54.8388 18.1168 179.6497 127 V 3.4938 8.0038 117.2176 66.1375 31.6191 178.2703 128 K 3.9081 7.8441 119.2330 59.3675 31.8095 178.4960 129 L 3.5896 7.4658 119.6923 58.2057 41.9116 178.7952 130 T 4.0690 7.3478 114.6055 66.1762 68.5946 176.2967 131 E 4.3120 8.3913 119.9189 57.8080 31.3702 177.3497 132 E 4.7509 8.7497 116.6345 54.1221 30.0032 174.2120 133 P 4.0959 0.0000 0.0000 66.2906 31.9581 179.0535 134 A 4.0107 8.0526 120.6691 54.3368 18.3049 177.9165 135 K 4.5083 7.7494 113.1250 56.0749 32.4994 176.6102 136 I 4.1005 7.3125 120.6336 61.6045 37.6496 175.6999 137 V 4.6027 8.7744 116.5347 58.5256 36.1506 175.9120 138 E 3.9584 8.9371 120.4265 59.7452 29.1247 178.5165 139 A 4.1562 8.0871 120.1909 55.2966 18.2716 179.1668 140 D 4.4279 8.0946 117.3447 57.7110 40.9169 179.2367 141 R 3.8154 7.9579 117.9029 58.9793 30.2107 178.7231 142 A 4.0368 8.7001 120.8548 54.9606 18.1903 179.5614 143 A 4.0031 8.2783 119.5782 55.1444 18.5301 179.8912 144 L 4.0823 7.6752 117.6908 58.1072 41.8180 179.7796 145 R 4.4159 7.9330 119.3317 58.7130 29.7910 178.9841 146 K 3.9344 7.9153 117.9817 59.2600 32.2667 177.9804 147 A 4.3023 7.4873 118.9847 52.0850 18.6577 177.6188 148 G 3.9685 7.4235 106.8222 45.5441 0.0000 173.6687 149 F 4.8561 7.9676 117.6955 55.2047 41.2394 176.3011 150 S 4.7541 8.8533 120.0998 57.6661 65.4914 175.2888 151 D 4.3896 8.4775 120.9855 57.4760 40.4966 178.9933 152 R 3.9955 7.9613 118.8530 59.4782 29.7971 178.1794 153 D 4.4654 8.3585 118.8813 57.2360 40.7213 178.7338 154 I 3.4830 7.8902 120.4730 64.0485 37.0130 178.1293 155 W 4.1744 8.3099 129.1706 60.6464 30.4477 177.8010 156 D 4.3303 8.2751 118.7700 57.1730 40.2755 178.6872 157 I 3.5853 8.1118 120.4565 64.3289 37.1297 178.0762 158 A 4.0607 8.1430 121.5924 55.6735 18.1912 179.9639 159 S 3.8622 7.9647 113.5619 61.6485 62.8549 177.2087 160 T 3.8743 8.0089 118.3014 66.5878 68.4108 176.4388 161 A 4.0691 8.3246 122.8011 55.3619 18.1542 179.5249 162 A 3.9105 8.3520 118.0952 55.2690 18.5178 179.2848 163 F 4.0704 8.0928 118.1066 61.4604 39.7036 177.1277 164 F 4.1178 8.2085 116.5576 59.6558 38.6260 177.3080 165 N 4.6187 7.7456 114.2657 53.8569 38.0530 177.0266 *167 S 4.2852 7.9795 117.7529 58.7769 64.9618 175.7217 168 N 4.3336 8.5379 117.9271 56.8941 38.2792 177.6782 169 R 3.9778 7.6375 117.6013 58.8856 29.9999 179.3503 170 V 3.5069 7.6475 117.5216 65.7617 31.7770 177.5604 171 A 3.8709 8.2339 120.7127 55.1965 17.9972 179.1740 172 A 3.9584 8.1036 117.7910 55.5815 18.5243 179.4067 173 A 4.1014 7.9326 117.8006 54.3963 18.7211 178.8537 174 I 4.1243 7.5502 108.9311 58.7379 38.5774 171.2375 175 D 4.3547 7.5284 127.9146 53.7691 42.7872 172.4541 *177 R 4.4460 8.3861 123.5750 55.4481 31.2811 173.7471 178 P 4.1657 0.0000 0.0000 61.6734 32.5668 175.8416 179 N 4.3587 8.6402 117.1557 53.3857 39.1268 175.8001 180 D 4.4303 8.8112 121.3957 57.7194 40.9367 178.5676 181 E 4.0017 7.9645 118.2431 59.1432 29.1907 178.5777 182 Y 4.1981 7.3514 116.3902 61.3247 37.8799 177.9017 183 H 4.4003 7.8318 115.9974 58.0140 30.2268 176.4901 184 A 4.2238 7.1842 124.3727 50.7175 17.2958 177.3629 *186 A 4.1644 7.4000 124.2779 51.3773 20.4906 177.5157 187 R 4.2343 7.9150 124.5461 56.9013 30.3787 177.1665 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 K 8.30 4.37 0.00 1.79 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 5 I 8.30 3.87 1.92 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 1.48 1.13 0.93 0.00 0.00 6 S 8.15 4.87 0.00 4.06 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 7 A 8.68 4.61 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 8 L 7.59 4.47 0.00 1.56 0.63 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 *13 G 9.05 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 14 E 8.29 3.83 0.00 1.96 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 2.33 2.39 0.00 15 L 8.40 4.30 0.00 1.72 1.58 1.18 1.14 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 16 S 8.09 4.39 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.56 3.92 0.00 1.99 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 2.40 2.34 0.00 18 P 0.00 4.23 0.00 2.08 2.06 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 19 T 7.58 3.71 3.69 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 1.17 0.00 0.00 20 K 8.27 3.97 0.00 2.00 1.92 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.63 7.81 21 A 8.07 3.93 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 22 Y 8.49 4.13 0.00 2.93 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 23 F 8.36 4.57 0.00 3.07 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 24 A 8.04 4.05 1.42 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 25 K 7.91 3.93 0.00 1.73 1.79 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.61 1.62 7.81 26 C 7.68 3.95 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.12 4.10 0.00 2.26 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 2.30 2.40 0.00 28 E 7.97 3.96 0.00 1.98 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 2.34 2.48 0.00 29 K 7.90 4.22 0.00 1.77 1.84 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.56 7.81 30 L 8.80 4.50 0.00 1.68 1.68 0.91 1.01 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 31 G 9.91 3.91 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 0.00 0.00 0.00 32 L 7.02 4.22 0.00 1.49 1.45 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.80 4.03 1.76 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 -0.15 0.00 0.00 0.88 0.00 0.00 34 P 0.00 4.48 0.00 2.32 2.19 0.00 3.65 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 35 N 9.80 4.38 0.00 3.05 3.04 0.00 0.00 6.36 7.22 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 36 V 8.14 3.51 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 1.01 0.00 0.00 0.56 0.00 0.00 37 L 7.92 4.19 0.00 1.77 2.23 1.33 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.93 4.24 0.00 1.94 1.87 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 1.25 7.81 39 A 8.08 4.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.84 3.88 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 41 A 7.47 4.27 1.55 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 0.00 0.00 42 F 7.80 4.39 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.31 4.46 0.00 2.53 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 0.00 0.00 0.00 44 D 8.84 4.32 0.00 2.67 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 45 K 8.22 4.02 0.00 1.79 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 46 K 8.08 4.25 0.00 1.80 2.01 0.00 1.58 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.62 7.81 47 L 8.06 3.91 0.00 1.80 1.71 1.09 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.19 3.74 0.00 1.93 1.89 0.00 3.17 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 49 A 8.17 3.96 1.42 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 50 F 7.95 3.98 0.00 2.56 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 51 T 8.09 3.84 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 1.20 0.00 0.00 52 D 8.02 4.24 0.00 2.97 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 53 I 7.39 3.56 1.75 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 1.35 0.64 0.70 0.00 0.00 54 Y 7.65 3.18 0.00 2.14 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 55 N 8.16 4.47 0.00 2.76 2.88 0.00 0.00 7.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 7.92 4.41 0.00 2.79 2.59 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 57 L 7.20 3.92 0.00 1.37 1.13 0.68 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *59 L 7.79 4.21 0.00 1.87 1.75 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.49 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 0.00 0.00 0.00 61 E 8.41 4.03 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 2.29 2.30 0.00 62 S 8.00 4.58 0.00 3.82 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 63 G 8.61 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.59 4.59 0.00 1.69 1.64 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0.00 0.00 82 C 8.30 4.52 0.00 3.02 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 83 Y 8.94 4.34 0.00 3.06 3.05 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 84 Y 8.09 3.49 0.00 3.11 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 85 C 8.23 4.39 0.00 3.15 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 86 L 8.32 3.96 0.00 1.76 1.74 1.06 0.60 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 87 T 7.58 3.66 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 0.84 0.00 0.00 88 A 7.42 2.58 0.65 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 0.00 0.00 89 H 8.20 4.35 0.00 3.25 3.23 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.91 3.57 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.75 4.51 0.00 1.86 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.37 7.81 136 I 7.31 4.10 1.88 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.62 1.02 0.00 0.00 137 V 8.77 4.60 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 0.83 0.00 0.00 1.04 0.00 0.00 138 E 8.94 3.96 0.00 2.10 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 2.40 2.47 0.00 139 A 8.09 4.16 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 0.00 140 D 8.09 4.43 0.00 3.11 3.07 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 0.00 141 R 7.96 3.82 0.00 2.02 1.95 0.00 3.16 0.00 0.00 3.41 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 142 A 8.70 4.04 1.37 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 0.00 143 A 8.28 4.00 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 0.00 144 L 7.68 4.08 0.00 1.68 1.69 -0.26 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.93 4.42 0.00 2.03 2.00 0.00 3.15 0.00 0.00 3.20 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 146 K 7.92 3.93 0.00 2.01 2.02 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.47 7.81 147 A 7.49 4.30 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 0.00 148 G 7.42 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 0.00 149 F 7.97 4.86 0.00 3.22 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 0.00 150 S 8.85 4.75 0.00 4.09 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 0.00 151 D 8.48 4.39 0.00 2.79 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 0.00 152 R 7.96 4.00 0.00 1.91 1.94 0.00 3.15 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 153 D 8.36 4.47 0.00 3.13 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 0.00 154 I 7.89 3.48 2.03 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 1.13 0.75 0.73 0.00 0.00 155 W 8.31 4.17 0.00 3.45 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 0.00 156 D 8.28 4.33 0.00 2.92 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 0.00 157 I 8.11 3.59 1.69 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.64 0.95 0.00 0.00 158 A 8.14 4.06 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 0.00 159 S 7.96 3.86 0.00 3.54 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 T 8.01 3.87 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 1.36 0.00 0.00 161 A 8.32 4.07 1.37 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 0.00 162 A 8.35 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 0.00 163 F 8.09 4.07 0.00 2.88 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 F 8.21 4.12 0.00 3.26 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 0.00 165 N 7.75 4.62 0.00 2.91 2.79 0.00 0.00 6.80 7.12 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 *167 S 7.98 4.29 0.00 3.69 3.91 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 0.00 168 N 8.54 4.33 0.00 2.77 2.94 0.00 0.00 7.13 7.44 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 0.00 169 R 7.64 3.98 0.00 1.93 1.95 0.00 3.21 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 170 V 7.65 3.51 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 0.95 0.00 0.00 0.91 0.00 0.00 171 A 8.23 3.87 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 0.00 172 A 8.10 3.96 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 0.00 173 A 7.93 4.10 1.37 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 0.00 174 I 7.55 4.12 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.68 0.88 0.00 0.00 175 D 7.53 4.35 0.00 2.99 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 *177 R 8.39 4.45 0.00 1.99 2.05 0.00 3.58 0.00 0.00 3.57 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 178 P 0.00 4.17 0.00 1.69 1.09 0.00 3.76 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.78 0.00 179 N 8.64 4.36 0.00 2.24 2.71 0.00 0.00 6.51 8.08 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 0.00 180 D 8.81 4.43 0.00 2.80 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 0.00 181 E 7.96 4.00 0.00 1.80 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 182 Y 7.35 4.20 0.00 2.86 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 0.00 183 H 7.83 4.40 0.00 3.14 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.18 4.22 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *186 A 7.40 4.16 1.37 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 0.00 187 R 7.92 4.23 0.00 1.82 1.85 0.00 3.43 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.