NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.0213 8.5298 119.6797 55.5331 33.2472 174.6566 2 N 4.4413 7.2362 121.1238 49.9030 41.4352 173.6039 3 I 3.5918 9.1384 120.2587 64.2554 38.2582 178.8393 4 F 4.0104 8.1994 118.1025 60.6510 38.3878 177.4064 5 E 4.0112 8.6572 118.2760 59.2790 29.1822 179.0898 6 M 3.6186 8.0284 118.6644 58.6785 32.3421 178.4405 7 L 3.9558 7.9027 119.0204 57.5447 41.6967 179.4575 8 R 3.6922 8.2306 118.9141 59.2336 29.7307 178.7045 9 I 3.6943 7.5077 118.7142 64.6885 37.2879 178.0017 10 D 4.5744 8.1712 118.1222 56.6012 40.7298 177.7244 11 E 4.5380 8.6027 117.6782 55.2330 30.9479 177.1625 12 G 3.8134 8.1850 108.4738 44.3783 0.0000 171.7841 13 L 4.9869 8.0416 119.1183 53.2989 44.4870 175.6127 14 R 4.6693 8.8426 124.4541 54.6253 34.0483 175.7737 15 L 4.5935 8.7603 121.5950 54.8230 42.9912 175.9565 16 K 5.1557 7.8117 117.7077 53.9754 35.5513 176.0429 17 I 4.1985 8.1477 123.8279 62.3708 37.6560 175.0047 18 Y 5.0813 9.0280 123.8899 55.6069 42.2888 173.6052 19 K 4.8127 8.7386 119.0621 55.0934 33.7708 177.4113 20 D 4.9249 8.7141 125.1883 52.6763 41.3452 176.8009 21 T 3.8759 8.5295 108.0172 64.6548 68.7577 174.6316 22 E 4.0642 8.3186 119.3416 55.9753 29.8157 176.6548 23 G 3.6496 8.1017 107.3506 45.4431 0.0000 172.7348 24 Y 4.7784 7.8190 117.4593 55.9550 40.3262 174.9605 25 Y 4.7705 8.2509 120.8820 59.0273 39.0902 175.4360 26 T 5.0500 8.8375 119.4063 62.5468 73.8608 172.4021 27 I 4.8371 8.6925 122.5009 59.9751 42.3547 176.4705 28 G 4.0358 9.4872 114.9692 47.1467 0.0000 176.6664 29 I 5.0845 7.7799 118.4555 59.3482 35.4927 174.9463 30 G 4.0610 8.2667 111.0033 46.6473 0.0000 171.3470 31 H 4.5588 8.2977 121.1464 54.3127 29.1455 173.9566 32 L 4.3248 8.0746 129.7090 55.0112 42.5654 176.5387 33 L 4.2271 8.7193 126.9993 56.8972 42.2562 177.0047 34 T 4.1035 7.1539 107.7646 61.6843 69.5952 172.6186 35 K 3.7146 8.3881 124.5640 56.2834 32.6601 177.3252 36 S 4.2681 7.8352 114.9090 57.6511 62.6621 172.5040 37 P 4.4226 0.0000 0.0000 64.0594 31.5908 176.6165 38 S 4.6286 8.1865 114.7796 56.8816 63.3450 174.1571 39 L 3.1647 8.5124 131.1266 58.0393 41.8774 178.5120 40 N 4.2428 8.0651 115.8825 56.1051 38.5178 176.9906 41 A 3.9572 8.0927 122.0316 55.0837 18.4561 179.5601 42 A 3.9333 7.8689 119.2202 55.2338 18.3970 180.0546 43 K 3.8804 8.2244 117.3712 59.5506 32.0827 179.5916 44 S 4.0792 8.2402 113.5489 61.3640 62.3172 176.0145 45 E 3.9769 8.3175 121.3911 59.1833 29.1597 179.1385 46 L 3.9530 8.0600 120.3452 58.3441 42.1425 178.6956 47 D 4.7641 8.1442 120.1977 56.7767 40.5088 178.8213 48 K 3.9184 7.9365 118.9439 59.4229 32.2681 178.4886 49 A 4.1288 7.9382 120.2767 54.8223 18.3868 179.0007 50 I 4.1158 7.9278 116.9844 61.3466 37.6349 177.1496 51 G 3.9161 9.9237 107.4480 45.1627 0.0000 172.7667 52 R 4.4370 7.3316 114.0494 54.4467 31.9672 173.7351 53 N 4.8001 8.5715 117.5957 53.7244 38.0565 174.2233 54 T 4.1873 9.2535 117.5522 61.2294 69.9056 174.9030 55 N 4.1290 9.1573 118.9260 54.5552 37.5154 174.5441 56 G 3.9553 8.2541 103.0523 44.9370 0.0000 173.5262 57 V 5.0400 7.5017 118.6488 60.8761 34.4288 174.4775 58 I 4.9744 8.6577 120.0633 59.2727 41.1475 174.5846 59 T 4.3705 8.7624 112.9469 60.4375 70.5613 175.9848 60 K 3.9028 8.6960 122.4267 59.7520 32.1353 178.3763 61 D 4.3738 8.0909 118.6193 57.5586 40.8329 178.5412 62 E 3.9926 8.2297 118.7215 59.3097 29.4364 179.2330 63 A 4.0797 8.2951 121.0037 55.3608 18.3705 179.6084 64 E 4.2068 8.5787 117.2117 59.1390 29.4757 179.5355 65 K 3.9840 8.3026 119.9536 59.5928 32.2860 178.8455 66 L 4.0432 8.0567 119.2895 57.7182 41.3869 179.3922 67 F 4.6456 8.4773 120.6598 61.5822 39.4208 176.5688 68 C 4.2165 8.5501 118.5688 62.9161 31.2633 175.6835 69 Q 4.0557 8.1949 119.4490 59.1186 28.2601 178.5348 70 D 4.3670 8.4308 120.1579 57.0999 40.8721 179.0472 71 V 3.5923 8.1189 119.2223 65.8353 31.3856 177.3615 72 D 4.3111 8.1785 117.6428 57.5722 40.9626 178.3010 73 A 3.9239 8.3830 121.1650 55.0361 18.3427 179.4949 74 A 3.8629 7.9289 119.3803 55.1936 18.3878 180.0639 75 V 3.3437 7.8228 116.7405 66.1887 31.6182 178.4471 76 R 3.9344 8.2724 118.2353 59.1265 29.6258 179.3156 77 G 3.5306 7.9884 104.7682 47.7195 0.0000 175.5132 78 I 3.7697 7.5981 122.3442 64.2000 36.9305 178.6687 79 L 4.0185 7.8475 120.7564 57.9493 41.4821 179.6335 80 R 4.2776 7.7560 118.3465 57.8508 30.0105 179.1616 81 N 4.9023 7.4398 117.2836 52.7893 39.9603 175.7226 82 A 3.9955 8.6158 127.5793 54.8423 18.5296 179.1046 83 K 4.1582 8.1661 116.3779 59.0069 32.6689 178.9386 84 L 4.2252 7.9522 118.6555 57.1011 41.8508 178.8285 85 K 3.9064 8.2233 119.8343 59.2861 31.8913 176.9330 86 P 4.3218 0.0000 0.0000 65.5235 31.6675 178.5109 87 V 3.8690 7.7586 116.5143 66.1495 31.6325 177.1317 88 Y 4.1005 8.3863 119.6070 61.0911 38.4264 177.9524 89 D 4.4668 8.5975 118.9481 57.2228 40.9817 178.4541 90 S 4.3594 7.8180 112.8525 59.1031 63.5975 174.3701 91 L 4.5678 6.8124 122.5357 53.4599 42.9107 176.4441 92 D 4.6166 8.1540 121.0909 52.8400 41.8807 176.9223 93 C 3.9843 8.3462 118.7421 62.4871 31.3236 175.5359 94 V 3.0918 7.5024 119.3200 65.9573 31.1663 178.1854 95 R 3.6014 8.0271 117.6884 58.8518 29.7417 179.0565 96 R 3.8529 8.1633 118.3069 59.2584 29.9267 178.7201 97 A 3.9938 7.8785 120.0122 55.2282 18.3800 179.5468 98 A 3.6731 7.3132 119.1372 55.0046 18.2194 179.6827 99 L 4.2078 7.8825 118.9223 58.3295 42.1882 179.1847 100 I 3.7305 8.0964 120.0273 64.2744 37.0361 177.6428 101 N 4.2766 8.3970 118.1060 57.1916 38.7334 176.6323 102 M 3.9201 7.9986 119.7711 58.5174 31.9711 179.0314 103 V 3.5520 7.8634 118.2816 65.7433 31.4285 177.7442 104 F 3.9756 8.4719 120.1791 61.3209 39.2887 176.6463 105 Q 4.3081 8.2394 118.0133 58.8878 29.1234 176.9145 106 M 4.5117 8.5996 117.0708 53.7764 34.0140 177.3658 107 G 3.9744 7.7928 104.7501 45.4986 0.0000 174.0101 108 E 3.7753 8.6936 120.1329 59.7257 29.7738 179.5393 109 T 3.9327 7.8666 115.1755 66.3307 68.2970 176.6827 110 G 3.6608 7.8703 106.3409 47.9989 0.0000 175.4733 111 V 2.6750 7.4454 120.8093 64.8619 31.2697 177.8516 112 A 4.1341 7.9051 119.6949 54.2835 18.2564 178.9046 113 G 3.8805 7.3835 101.3098 45.3925 0.0000 174.4294 114 F 4.7777 8.1325 122.6323 56.7518 37.9787 176.3533 115 T 3.9096 7.9650 121.5797 66.9851 68.8235 176.2197 116 N 4.3350 8.0672 117.6314 56.4079 38.6544 177.5877 117 S 4.1163 8.0036 116.0657 61.5925 62.9291 176.5263 118 L 3.9524 8.1535 121.7503 57.6817 41.3417 179.5870 119 R 3.8356 7.9781 118.6086 59.8043 30.0584 178.5457 120 M 4.2469 7.8853 119.7751 57.6768 31.8485 178.8123 121 L 3.9447 8.0517 119.2996 57.9072 41.6333 179.2564 122 Q 3.9608 8.0257 118.2997 59.1775 28.8892 177.7594 123 Q 4.0309 8.0420 117.1958 55.3733 28.8081 176.2662 124 K 2.0000 7.1703 118.3493 57.0792 30.2408 177.5589 125 R 4.0883 7.0108 119.0517 54.4974 27.8800 176.3521 126 W 4.5566 7.5647 122.9002 59.8191 29.4058 177.4660 127 D 4.4477 8.1488 117.2190 57.3477 40.4326 178.1869 128 E 4.0888 8.1249 117.3482 59.3018 29.7986 178.6225 129 A 4.1889 8.4259 120.9577 55.1263 18.1853 180.2582 130 A 4.1260 8.0491 115.7332 53.2626 18.4040 178.6867 *132 N 4.6335 8.1188 121.0464 55.0050 40.6866 176.6740 133 L 4.1348 8.2994 117.1990 57.5227 41.7877 178.0557 134 A 3.6683 7.3773 118.4133 53.3368 18.9987 177.9515 135 K 4.3509 7.3744 118.1264 54.6343 31.0971 176.9632 136 S 4.6929 7.3006 114.3510 55.6974 67.8746 174.7939 137 R 3.9430 8.7372 123.1574 59.3608 29.8644 178.2783 138 W 4.5731 8.6128 127.7856 61.1333 30.5707 177.1481 139 Y 3.4569 8.2845 118.9401 60.6758 38.0241 177.7085 140 N 4.3763 8.1250 116.3472 56.2847 38.7082 177.0684 141 Q 4.2740 8.4303 119.2884 57.2553 30.5097 176.5128 142 T 4.5691 7.6424 109.3779 58.4212 68.6557 172.5039 143 P 3.7360 0.0000 0.0000 65.9751 31.8978 178.5038 144 N 4.1777 7.7694 115.8367 55.7966 38.5765 177.2811 145 R 3.8481 7.7661 119.3768 59.4018 30.3574 178.1865 146 A 3.5261 7.8197 120.7788 54.8976 18.0437 179.6909 147 K 4.0533 8.1806 117.3476 59.6943 32.1788 179.7953 148 R 3.8012 7.8100 117.8386 59.1677 29.9637 179.3491 149 V 3.8005 8.0951 118.0588 66.1857 31.6163 178.1719 150 I 4.1877 8.6581 120.0098 64.8843 36.9611 178.5393 151 T 4.0107 8.3716 116.8413 66.8986 68.1539 176.8688 152 T 3.9185 7.8620 117.5398 66.6185 68.2302 176.8297 153 F 4.1980 7.9269 118.6512 60.5006 38.9942 177.4502 154 R 4.1801 8.4426 118.2463 59.0595 30.0336 177.7750 155 T 4.3189 7.8682 107.4329 60.5678 69.8748 175.2688 156 G 3.5238 7.7915 108.9044 46.1657 0.0000 172.8343 157 T 4.4353 7.3432 108.1818 59.3238 71.7863 173.2038 158 W 5.0439 8.3354 118.3155 56.8819 29.2167 178.3804 159 D 4.3959 8.1024 121.9617 57.5953 40.2984 178.7247 160 A 4.1598 8.1146 119.6758 53.9520 18.5705 177.1620 161 Y 4.4936 8.1451 111.8027 57.6286 39.2883 176.0985 162 K 4.2333 7.7573 123.2800 56.4680 32.2813 176.2335 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 8.53 4.02 0.00 0.51 1.48 0.00 0.00 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.51 0.00 2 N 7.24 4.44 0.00 3.08 2.80 0.00 0.00 5.82 6.71 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 3 I 9.14 3.59 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.76 0.00 0.00 4 F 8.20 4.01 0.00 3.23 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 5 E 8.66 4.01 0.00 1.90 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 2.30 2.42 0.00 6 M 8.03 3.62 0.00 1.96 1.60 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 2.17 0.00 7 L 7.90 3.96 0.00 1.91 1.50 0.34 0.29 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 8 R 8.23 3.69 0.00 1.94 2.15 0.00 2.99 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 9 I 7.51 3.69 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 1.05 0.00 0.00 10 D 8.17 4.57 0.00 2.74 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 E 8.60 4.54 0.00 1.86 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 12 G 8.19 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 0.00 0.00 0.00 0.00 13 L 8.04 4.99 0.00 1.45 1.45 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.84 4.67 0.00 1.63 1.63 0.00 2.63 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.24 0.00 15 L 8.76 4.59 0.00 1.61 1.90 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.81 5.16 0.00 1.66 1.73 0.00 1.79 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.45 7.81 17 I 8.15 4.20 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.62 0.90 0.00 0.00 18 Y 9.03 5.08 0.00 2.99 3.06 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 19 K 8.74 4.81 0.00 1.67 1.67 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.91 1.36 7.81 20 D 8.71 4.92 0.00 2.98 2.84 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 21 T 8.53 3.88 4.26 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 1.27 0.00 0.00 22 E 8.32 4.06 0.00 1.81 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 23 G 8.10 3.65 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 0.00 24 Y 7.82 4.78 0.00 3.13 2.87 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 25 Y 8.25 4.77 0.00 2.96 2.80 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 26 T 8.84 5.05 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 1.14 0.00 0.00 27 I 8.69 4.84 1.92 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 1.26 1.57 0.99 0.00 0.00 28 G 9.49 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 0.00 0.00 0.00 29 I 7.78 5.08 1.30 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.61 -0.13 0.00 0.00 30 G 8.27 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 8.30 4.56 0.00 3.36 3.50 0.00 5.79 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.07 4.32 0.00 1.56 1.42 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.72 4.23 0.00 1.85 1.72 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.15 4.10 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 1.32 0.00 0.00 35 K 8.39 3.71 0.00 1.47 1.24 0.00 1.51 0.00 0.00 1.10 0.00 0.00 2.44 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.91 7.81 36 S 7.84 4.27 0.00 3.86 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 37 P 0.00 4.42 0.00 2.14 2.14 0.00 3.77 0.00 0.00 3.64 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 38 S 8.19 4.63 0.00 3.94 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.51 3.16 0.00 1.57 1.53 0.34 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.07 4.24 0.00 2.75 2.82 0.00 0.00 7.04 7.08 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 41 A 8.09 3.96 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 42 A 7.87 3.93 1.16 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 0.00 0.00 43 K 8.22 3.88 0.00 1.88 1.82 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 44 S 8.24 4.08 0.00 3.87 3.96 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 45 E 8.32 3.98 0.00 2.19 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 2.51 2.62 0.00 46 L 8.06 3.95 0.00 1.84 1.83 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.14 4.76 0.00 2.72 2.74 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 0.00 0.00 0.00 0.00 48 K 7.94 3.92 0.00 1.76 2.08 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 49 A 7.94 4.13 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 50 I 7.93 4.12 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 1.65 0.89 0.92 0.00 0.00 51 G 9.92 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 52 R 7.33 4.44 0.00 1.96 2.00 0.00 2.97 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 53 N 8.57 4.80 0.00 2.70 2.81 0.00 0.00 6.94 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 9.25 4.19 4.49 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 1.29 0.00 0.00 55 N 9.16 4.13 0.00 2.82 2.89 0.00 0.00 7.08 7.98 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 56 G 8.25 3.96 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 0.00 0.00 0.00 57 V 7.50 5.04 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 0.89 0.00 0.00 0.95 0.00 0.00 58 I 8.66 4.97 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 0.93 0.00 0.00 59 T 8.76 4.37 4.25 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 1.22 0.00 0.00 60 K 8.70 3.90 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.54 7.81 61 D 8.09 4.37 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.23 3.99 0.00 2.21 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 63 A 8.30 4.08 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 64 E 8.58 4.21 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 65 K 8.30 3.98 0.00 1.96 1.95 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 66 L 8.06 4.04 0.00 1.95 1.67 0.82 0.74 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 67 F 8.48 4.65 0.00 3.28 3.41 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 68 C 8.55 4.22 0.00 3.10 3.17 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 69 Q 8.19 4.06 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.65 0.00 70 D 8.43 4.37 0.00 3.14 2.62 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 71 V 8.12 3.59 1.65 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 0.43 0.00 0.00 0.01 0.00 0.00 72 D 8.18 4.31 0.00 2.91 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 73 A 8.38 3.92 1.34 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 0.00 0.00 74 A 7.93 3.86 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 75 V 7.82 3.34 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 0.96 0.00 0.00 0.95 0.00 0.00 76 R 8.27 3.93 0.00 1.97 1.92 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.98 0.00 77 G 7.99 3.53 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 0.00 0.00 0.00 78 I 7.60 3.77 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.51 0.00 0.00 79 L 7.85 4.02 0.00 1.51 1.67 0.86 0.99 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 80 R 7.76 4.28 0.00 1.93 1.83 0.00 3.25 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 81 N 7.44 4.90 0.00 2.97 2.77 0.00 0.00 6.96 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 82 A 8.62 4.00 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 83 K 8.17 4.16 0.00 1.89 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.61 7.81 84 L 7.95 4.23 0.00 1.79 1.70 0.85 0.80 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 85 K 8.22 3.91 0.00 2.01 1.83 0.00 1.93 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.53 7.81 86 P 0.00 4.32 0.00 2.08 2.12 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 87 V 7.76 3.87 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 1.10 0.00 0.00 1.04 0.00 0.00 88 Y 8.39 4.10 0.00 3.11 3.14 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 89 D 8.60 4.47 0.00 2.91 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 90 S 7.82 4.36 0.00 4.10 4.15 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 91 L 6.81 4.57 0.00 1.57 1.61 1.12 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 92 D 8.15 4.62 0.00 2.78 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 93 C 8.35 3.98 0.00 2.98 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 94 V 7.50 3.09 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 -0.14 0.00 0.00 0.48 0.00 0.00 95 R 8.03 3.60 0.00 1.77 2.01 0.00 2.64 0.00 0.00 2.53 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 96 R 8.16 3.85 0.00 1.85 1.85 0.00 2.80 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.48 0.00 97 A 7.88 3.99 1.51 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 0.00 0.00 98 A 7.31 3.67 0.13 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 99 L 7.88 4.21 0.00 2.16 2.06 1.05 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.10 3.73 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.89 0.00 0.00 101 N 8.40 4.28 0.00 2.88 3.07 0.00 0.00 7.25 8.49 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 0.00 102 M 8.00 3.92 0.00 1.76 2.16 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.07 0.00 103 V 7.86 3.55 2.19 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 1.09 0.00 0.00 0.86 0.00 0.00 104 F 8.47 3.98 0.00 3.17 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 0.00 105 Q 8.24 4.31 0.00 2.36 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.53 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 106 M 8.60 4.51 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 107 G 7.79 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 0.00 108 E 8.69 3.78 0.00 1.97 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 2.32 2.44 0.00 109 T 7.87 3.93 4.20 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 1.19 0.00 0.00 110 G 7.87 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 0.00 111 V 7.45 2.67 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 0.67 0.00 0.00 0.65 0.00 0.00 112 A 7.91 4.13 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 0.00 113 G 7.38 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 0.00 114 F 8.13 4.78 0.00 3.13 2.97 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 0.00 115 T 7.96 3.91 4.26 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 1.22 0.00 0.00 116 N 8.07 4.33 0.00 2.70 2.84 0.00 0.00 7.11 7.71 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 0.00 117 S 8.00 4.12 0.00 3.97 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 0.00 118 L 8.15 3.95 0.00 1.86 1.73 0.99 0.65 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 0.00 119 R 7.98 3.84 0.00 1.98 2.05 0.00 3.06 0.00 0.00 3.14 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.12 4.09 0.00 2.05 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 2.30 2.36 0.00 129 A 8.43 4.19 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 0.00 130 A 8.05 4.13 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 *132 N 8.12 4.63 0.00 2.84 2.98 0.00 0.00 7.10 6.66 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 0.00 133 L 8.30 4.13 0.00 1.99 2.20 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.38 3.67 0.43 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 0.00 135 K 7.37 4.35 0.00 1.85 1.74 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.28 7.81 136 S 7.30 4.69 0.00 4.13 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 0.00 137 R 8.74 3.94 0.00 1.99 2.12 0.00 3.28 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 138 W 8.61 4.57 0.00 3.61 3.50 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 0.00 139 Y 8.28 3.46 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.13 4.38 0.00 2.80 2.90 0.00 0.00 7.12 7.77 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 0.00 141 Q 8.43 4.27 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.23 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 142 T 7.64 4.57 4.20 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 1.25 0.00 0.00 143 P 0.00 3.74 0.00 1.93 1.75 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.69 0.00 144 N 7.77 4.18 0.00 2.66 2.81 0.00 0.00 6.76 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 0.00 145 R 7.77 3.85 0.00 1.89 1.92 0.00 3.36 0.00 0.00 3.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 146 A 7.82 3.53 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.18 4.05 0.00 1.92 1.87 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.62 1.54 7.81 148 R 7.81 3.80 0.00 1.97 1.46 0.00 2.21 0.00 0.00 2.75 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.62 0.00 149 V 8.10 3.80 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 1.35 0.00 0.00 1.35 0.00 0.00 150 I 8.66 4.19 2.10 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.97 1.07 0.00 0.00 151 T 8.37 4.01 4.46 0.00 0.00 0.00 0.00 0.00 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 0.00 152 T 7.86 3.92 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 0.69 0.00 0.00 153 F 7.93 4.20 0.00 3.33 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 0.00 154 R 8.44 4.18 0.00 1.96 2.13 0.00 3.30 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 155 T 7.87 4.32 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 1.24 0.00 0.00 156 G 7.79 3.52 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 0.00 157 T 7.34 4.44 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 1.17 0.00 0.00 158 W 8.34 5.04 0.00 3.48 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.10 4.40 0.00 2.73 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 0.00 160 A 8.11 4.16 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 0.00 161 Y 8.15 4.49 0.00 3.11 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 0.00 162 K 7.76 4.23 0.00 1.86 1.75 0.00 1.83 0.00 0.00 1.81 0.00 0.00 3.30 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.72 7.81 * Residues marked with a * may have inaccurate shift predictions.