NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2775 8.2644 123.5769 51.7470 20.0729 176.8881 5 D 4.2652 9.2924 122.1134 52.9659 41.6229 175.5354 6 K 3.9866 8.8041 129.4765 59.1228 32.7012 177.9099 7 K 3.9027 8.2536 120.0333 59.4960 32.1637 178.6475 8 A 4.0532 8.1481 120.4825 55.1728 18.2877 179.4949 9 I 3.7756 7.8852 118.3500 64.6644 37.1444 178.7387 10 L 4.1687 8.4923 120.2125 57.6925 41.3685 179.2177 11 E 3.9825 8.4291 119.5957 59.0943 29.4115 178.8271 12 L 4.1268 8.2356 119.2186 57.6947 41.7448 179.0829 13 F 3.7265 8.7710 120.8027 61.5078 39.1216 177.0967 14 Q 3.8964 8.1739 116.2237 59.3796 28.5267 178.9024 15 T 3.6988 7.4226 115.4099 65.8517 68.5982 174.8156 16 Y 4.4259 7.0934 116.4058 57.2340 39.1476 176.0158 17 K 3.6586 7.0451 119.5886 56.3923 33.2414 176.7547 18 E 4.0643 8.0470 120.6769 55.0462 30.1527 176.3473 19 P 4.2327 0.0000 0.0000 65.7568 31.4402 178.3619 20 L 4.0474 7.8306 117.0356 56.3479 41.6522 178.0643 21 G 4.1051 8.3552 106.3764 44.8004 0.0000 173.6479 22 N 5.4091 8.3415 115.6472 52.5342 38.8846 173.2647 23 Y 5.5462 7.8995 116.1805 56.7406 41.6485 173.0150 24 I 4.1327 9.1688 122.2737 60.0344 39.0621 175.4116 25 G 4.5829 8.7938 118.3705 44.2994 0.0000 173.4672 26 A 3.9755 8.6350 119.5822 55.1172 18.4442 179.9137 27 E 3.9624 8.1457 116.8302 59.6784 29.6126 179.6643 28 G 3.7550 8.0651 106.4459 47.2500 0.0000 175.4926 29 L 3.6108 8.1507 121.7088 57.4876 41.5776 179.5798 30 Q 4.1107 8.1131 118.0007 59.1036 28.6693 179.1795 31 R 3.9716 7.9268 118.8349 59.0076 29.9739 178.7753 32 L 3.2323 7.7492 120.3437 58.0718 41.8766 179.1868 33 F 4.5717 7.9083 117.8476 60.5433 38.8023 177.4334 34 E 4.0382 8.4927 118.4031 59.7792 29.0940 179.2644 35 D 4.5958 8.1893 117.7052 56.1016 40.8217 177.7767 36 I 4.4276 7.1584 111.9100 59.9174 38.3290 175.2457 37 Q 3.5558 8.0028 116.7848 57.7353 26.5831 173.5395 38 V 4.3388 7.8708 116.7924 60.6722 33.6013 174.5671 39 D 4.5056 8.4942 126.7232 53.3691 41.7307 174.9493 40 P 4.0727 0.0000 0.0000 65.6101 31.4426 177.0769 41 S 4.6234 9.0417 112.6160 58.1367 63.1322 173.6113 42 D 4.5629 8.0443 122.4783 53.5313 41.7166 177.6487 43 V 3.8528 8.5910 126.2517 64.9869 31.1037 178.8651 44 V 3.7134 8.3760 119.8520 64.4296 31.1794 178.4632 45 T 3.7654 7.8927 111.1341 64.7100 68.4521 176.6301 46 L 4.1472 7.9652 121.4326 57.4844 41.8022 179.3334 47 V 3.3896 7.9233 118.3933 65.6862 31.3690 177.7879 48 L 3.9382 8.3209 120.1174 58.1396 41.9357 178.7343 49 A 4.4142 8.1931 120.6314 55.0262 18.2875 179.2571 50 W 2.5400 8.3264 126.9091 60.2887 30.5120 178.4587 51 K 3.4942 7.8355 116.6943 58.7342 31.4811 178.4427 52 L 4.1119 7.6955 116.6702 53.6167 42.0468 176.5701 53 K 3.7859 7.7524 117.2674 56.9902 30.2172 175.6567 54 A 4.7674 8.3340 120.8578 52.8452 19.1182 178.6975 55 S 4.6019 9.1236 118.6462 59.7822 63.7478 175.1466 56 S 4.6588 7.8080 114.8415 56.5860 65.4112 175.3225 57 T 2.9137 7.8018 122.6435 63.2478 66.3843 173.2487 *59 E 4.3926 7.5721 121.2535 56.1705 31.6335 175.4979 60 F 5.6778 8.9155 122.5006 55.6095 42.5799 175.2961 61 S 4.9185 9.7301 118.9072 58.0839 64.1576 175.0816 62 E 3.1818 9.1347 121.1799 59.0697 29.1359 178.9534 63 K 3.8499 7.9401 119.0045 59.5359 32.3821 178.2671 64 E 3.9559 8.3059 118.8134 59.4763 29.3681 179.2880 65 F 3.8775 8.5101 120.6172 61.2290 39.5552 177.4395 66 V 3.5200 8.0294 117.9765 66.1554 31.3677 177.9635 67 E 4.0683 8.3847 118.4977 58.9288 29.2115 179.6944 68 G 3.3418 8.0159 106.0527 47.7499 0.0000 175.8839 69 L 3.7653 7.7224 121.8857 57.1140 41.5390 179.4868 70 A 3.9005 7.7731 120.7242 55.2751 18.1000 179.4093 71 N 4.2478 8.0096 113.9651 56.1656 38.6818 176.7591 72 L 4.1588 7.5449 117.3640 53.9766 42.2913 176.5180 73 Q 3.4020 7.8100 117.0491 57.1191 26.7607 173.7483 74 V 4.3802 7.9670 117.0747 61.2636 33.3018 174.7810 75 D 4.8589 8.5141 126.1140 51.8133 40.2936 175.1616 76 S 4.6891 7.7109 113.2478 56.8744 67.1512 174.2233 77 L 4.0517 8.4499 121.9458 57.9175 41.4136 179.3375 78 E 3.9521 8.1671 118.8337 59.2904 29.5722 178.8910 79 K 4.0345 8.3032 118.6287 59.1213 32.0598 179.1575 80 L 3.9151 7.9399 120.8495 57.9190 41.8252 178.7928 81 K 3.9510 8.2721 119.7407 59.8351 32.2564 178.9836 82 R 4.0411 8.0729 118.2398 59.0555 29.8791 178.9698 83 K 3.9905 8.4836 119.9347 59.2579 32.1484 178.8835 84 L 3.9991 8.0586 119.4483 58.0043 41.2915 179.7070 85 S 4.1654 7.7487 113.6978 61.5892 62.8615 176.7133 86 S 4.1188 7.9570 115.4979 61.2516 61.5704 176.2487 87 L 4.0321 8.2464 122.3461 57.6028 41.1098 179.2670 88 R 3.9364 7.8925 117.9191 59.4883 30.3128 178.4932 89 K 4.1626 7.8796 118.0481 59.1851 32.0963 178.9934 90 E 3.9754 8.0644 120.2491 59.1046 29.7123 177.9342 91 I 4.3441 7.3441 108.3664 61.3060 37.5584 176.5354 92 E 4.1278 8.0524 121.1489 58.4697 29.6958 177.1518 93 D 4.5832 8.0335 119.6125 53.1517 42.5099 174.8036 94 P 4.4128 0.0000 0.0000 65.9045 31.5459 178.9009 95 S 4.2776 8.4262 112.9246 61.2178 62.9439 176.7609 96 K 4.2151 8.3646 121.8006 59.2519 31.9503 178.8365 97 F 3.8809 8.6388 121.3324 61.1592 39.3192 177.0452 98 R 3.3556 8.2869 118.1537 59.2073 29.8785 178.3389 99 A 4.0311 7.8951 120.2674 55.1091 18.4628 179.2473 100 F 2.6218 7.6641 119.4352 61.0954 39.0172 176.5352 101 Y 3.3798 7.2688 117.8267 60.7472 38.5962 177.9792 102 Q 4.2464 8.2305 118.8706 58.7872 28.7041 178.3700 103 F 4.2362 8.2847 121.8816 61.2929 39.4212 177.2420 104 V 3.2099 7.5145 117.8509 65.6296 30.6900 177.7200 105 F 2.7636 7.0079 118.8934 60.8648 38.8512 176.8911 106 Q 3.7265 7.6702 117.0537 59.3019 28.9818 177.1113 107 Y 3.8917 7.2531 119.5841 60.3088 38.8265 177.4097 108 S 3.9332 7.3218 114.2866 58.1252 63.3893 174.3638 109 K 4.0793 6.1335 120.0411 54.8335 34.3311 176.0550 110 E 4.0938 7.9628 118.6119 55.1864 30.1883 176.4906 111 P 4.2018 0.0000 0.0000 65.6314 31.5400 178.1336 112 S 4.2412 7.8519 111.2142 60.1634 63.5102 174.2811 113 Q 4.4150 7.4994 119.7387 55.0044 29.5912 175.8415 114 R 4.3550 8.3870 118.6287 56.8206 31.0164 175.9107 115 S 5.1614 7.6763 110.6572 56.3507 66.9068 172.6357 116 L 4.4573 8.6249 121.6346 52.1864 44.1974 173.8387 117 P 4.5010 0.0000 0.0000 62.8155 31.9894 176.8577 118 A 3.9960 8.9574 126.9291 55.8171 18.4073 179.5454 119 E 4.1266 8.1082 113.4097 59.7427 29.7944 179.3177 120 T 4.0064 7.7661 115.1336 66.3207 68.5378 177.2517 121 A 3.7739 7.8908 119.9359 52.6468 18.2540 178.9645 *123 A 4.3533 7.9726 125.4386 53.8109 20.8411 180.2059 124 L 4.1850 8.1523 115.7793 57.7459 41.5505 179.7075 125 W 4.7294 8.8547 119.5130 59.8573 28.5263 177.9953 126 D 4.4944 8.4690 117.6859 57.4257 40.5164 178.4386 127 V 3.5922 7.5734 117.3791 66.0496 31.6892 177.7138 128 L 4.5688 8.6834 117.9217 56.9710 42.0372 178.3382 129 L 4.7914 8.3972 116.5896 53.2501 42.4612 176.3083 130 R 4.1353 7.2162 120.7644 57.6959 30.2438 176.6963 131 G 4.0280 9.2649 113.8170 45.4524 0.0000 173.4574 132 R 4.4029 7.9965 116.1318 55.5489 32.0550 175.6491 133 F 4.8709 7.7640 119.6307 56.2641 40.5181 174.5544 134 S 4.0677 8.8385 124.9171 61.4264 62.9447 175.6843 135 L 4.2695 7.2482 117.9501 54.6191 41.7277 177.9325 136 L 3.4473 7.0855 123.1927 58.4417 41.8439 178.9592 137 D 4.3784 7.9324 118.0290 57.4779 40.7069 178.8557 138 S 4.3837 8.0584 115.2671 61.2333 62.9887 176.1870 139 W 3.4861 8.4300 131.3721 60.4639 30.1676 178.0583 140 L 3.8587 7.9734 117.5755 57.5570 41.2967 178.9149 141 E 4.0391 8.2343 119.3973 59.2335 29.6036 178.4075 142 F 3.1906 7.9960 121.0008 61.0823 39.2084 176.8808 143 L 3.4384 7.4244 117.4487 56.4043 41.0285 179.2304 144 K 3.9053 7.5470 118.3533 58.4694 31.8885 177.2335 145 N 4.8432 7.1938 113.8396 52.7732 38.7958 175.3040 146 N 4.7263 7.6316 117.1534 51.7428 39.5487 173.8493 147 T 4.3956 7.8456 108.3924 61.2824 69.4869 175.0777 148 H 4.4989 7.8539 118.6683 55.7841 29.6610 175.3244 149 S 4.4716 8.5962 115.9036 58.9669 63.7839 173.9359 150 I 4.6218 8.8382 124.5601 60.1080 38.4921 176.3521 151 S 4.8125 8.8685 121.7363 57.5454 64.3441 175.0789 152 R 2.5100 8.6025 120.6765 59.4683 29.5927 178.3682 153 D 4.4065 7.9947 118.0451 57.5617 40.8752 178.7654 154 T 4.0428 8.0813 116.3797 66.3101 68.2856 176.2861 155 W 4.5982 8.3555 129.2497 60.9136 30.8926 177.3782 156 N 4.8202 8.7685 116.5330 56.5765 38.1517 177.3563 157 L 4.2655 8.5641 119.8395 56.7671 41.6865 179.0365 158 L 3.7505 8.0402 121.0938 57.8942 41.9351 178.2632 159 Y 3.5008 7.5896 119.7201 60.6067 38.4606 177.7510 160 D 4.2161 8.0252 118.0899 57.1773 41.3759 177.9970 161 F 4.0943 8.9150 121.8706 61.2402 39.1064 177.3673 162 S 3.6568 7.5461 112.9669 60.8454 62.6429 175.5466 163 Q 4.0674 6.9743 118.3301 55.0828 28.8952 175.7142 164 L 4.2056 6.5672 120.4617 53.5149 43.2223 176.4381 *167 K 4.3166 8.3080 119.5377 56.7028 33.7051 177.4992 168 D 4.3591 8.0456 117.3918 56.7635 40.8545 176.6576 169 L 3.7895 7.6317 120.5807 58.5635 42.3024 178.7841 170 S 4.1153 7.8964 114.1757 61.0038 62.6625 174.7493 171 D 4.7590 7.9836 118.1443 53.7834 40.4177 175.5703 172 Y 4.0889 7.6179 121.0941 58.3083 40.5248 173.8935 173 D 4.3077 8.5872 125.2797 54.8956 40.4289 176.6408 *177 A 4.2250 9.0761 118.5046 51.2735 21.2082 178.3439 178 W 4.8467 7.8403 113.9412 54.7050 30.8864 175.1592 179 P 4.5542 0.0000 0.0000 62.5495 32.8494 178.0607 180 V 3.7773 8.5957 121.0054 65.2005 31.1256 178.4607 181 L 4.2403 8.0811 120.3371 58.0805 42.0664 178.9160 182 I 3.7648 7.9121 119.4368 64.2483 37.2106 177.6390 183 D 4.5188 8.3163 120.2892 57.0128 40.9953 178.0961 184 D 4.4895 8.8163 119.8228 57.2387 40.7941 178.5374 185 F 3.0693 7.9922 121.2460 60.9057 39.0814 177.3315 186 V 3.1192 7.2212 116.6091 65.7798 31.6112 177.8413 187 K 4.0870 7.9103 118.1330 59.1301 31.8363 179.1147 188 W 4.1876 8.4683 128.9519 60.5078 30.4247 178.0114 189 L 3.7774 7.8294 117.8222 57.0581 41.0439 178.6663 190 K 4.0962 7.5258 115.8052 55.5465 33.0962 175.7381 191 H 3.9350 7.8109 118.7854 57.3643 28.6986 174.0734 192 E 4.2039 7.9338 120.2573 56.4117 29.5647 175.8940 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 A 8.26 4.28 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 5 D 9.29 4.27 0.00 2.72 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 6 K 8.80 3.99 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.48 7.81 7 K 8.25 3.90 0.00 1.89 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 8 A 8.15 4.05 1.46 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 0.00 0.00 0.00 9 I 7.89 3.78 2.02 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 1.55 0.75 0.91 0.00 0.00 10 L 8.49 4.17 0.00 1.79 1.80 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.43 3.98 0.00 2.16 2.15 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 2.31 2.51 0.00 12 L 8.24 4.13 0.00 2.32 2.13 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.77 3.73 0.00 3.30 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.17 3.90 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 15 T 7.42 3.70 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 0.24 0.00 0.00 16 Y 7.09 4.43 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.05 3.66 0.00 1.47 0.74 0.00 1.68 0.00 0.00 1.53 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.16 7.81 18 E 8.05 4.06 0.00 1.21 1.60 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 1.64 1.82 0.00 19 P 0.00 4.23 0.00 2.01 2.09 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 20 L 7.83 4.05 0.00 1.87 1.88 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.36 4.11 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 0.00 22 N 8.34 5.41 0.00 2.87 3.12 0.00 0.00 5.81 7.57 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 23 Y 7.90 5.55 0.00 3.29 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 9.17 4.13 1.92 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 0.76 0.29 0.82 0.00 0.00 25 G 8.79 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 26 A 8.64 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.15 3.96 0.00 2.24 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 2.38 2.29 0.00 28 G 8.07 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 29 L 8.15 3.61 0.00 1.78 1.67 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.11 4.11 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 31 R 7.93 3.97 0.00 2.19 2.15 0.00 3.16 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 32 L 7.75 3.23 0.00 0.49 1.06 0.41 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.91 4.57 0.00 3.15 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 34 E 8.49 4.04 0.00 2.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 35 D 8.19 4.60 0.00 2.91 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 36 I 7.16 4.43 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.80 0.97 0.00 0.00 37 Q 8.00 3.56 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 38 V 7.87 4.34 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 0.51 0.00 0.00 0.99 0.00 0.00 39 D 8.49 4.51 0.00 2.73 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.07 0.00 2.12 2.22 0.00 3.75 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 2.10 2.27 0.00 41 S 9.04 4.62 0.00 3.84 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 42 D 8.04 4.56 0.00 2.69 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.59 3.85 2.24 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 0.90 0.00 0.00 1.26 0.00 0.00 44 V 8.38 3.71 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 0.73 0.00 0.00 0.98 0.00 0.00 45 T 7.89 3.77 4.02 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 0.20 0.00 0.00 46 L 7.97 4.15 0.00 2.27 2.13 1.09 1.05 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 55 S 9.12 4.60 0.00 3.97 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 56 S 7.81 4.66 0.00 3.81 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 57 T 7.80 2.91 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 0.72 0.00 0.00 *59 E 7.57 4.39 0.00 2.08 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 2.38 2.89 0.00 60 F 8.92 5.68 0.00 3.21 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 S 9.73 4.92 0.00 3.99 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 62 E 9.13 3.18 0.00 1.73 1.78 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 1.82 1.47 0.00 63 K 7.94 3.85 0.00 1.84 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.51 7.81 64 E 8.31 3.96 0.00 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0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 7.81 3.40 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 74 V 7.97 4.38 1.96 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 0.80 0.00 0.00 0.93 0.00 0.00 75 D 8.51 4.86 0.00 2.73 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 76 S 7.71 4.69 0.00 4.04 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 77 L 8.45 4.05 0.00 1.78 1.82 1.07 0.88 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 78 E 8.17 3.95 0.00 2.10 1.96 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 2.39 2.48 0.00 79 K 8.30 4.03 0.00 1.98 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.45 7.81 80 L 7.94 3.92 0.00 1.77 1.86 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.15 4.18 0.00 1.96 1.97 0.72 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 125 W 8.85 4.73 0.00 3.72 3.26 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 0.00 126 D 8.47 4.49 0.00 2.92 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 0.00 127 V 7.57 3.59 2.38 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 1.05 0.00 0.00 1.10 0.00 0.00 128 L 8.68 4.57 0.00 2.05 2.18 1.18 1.07 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 0.00 129 L 8.40 4.79 0.00 2.02 1.85 0.70 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 130 R 7.22 4.14 0.00 1.97 1.94 0.00 3.32 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 131 G 9.26 4.03 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 0.00 0.00 0.00 132 R 8.00 4.40 0.00 1.83 1.79 0.00 3.00 0.00 0.00 2.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 133 F 7.76 4.87 0.00 2.74 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 0.00 134 S 8.84 4.07 0.00 3.85 3.86 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 0.00 135 L 7.25 4.27 0.00 1.49 1.74 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 136 L 7.09 3.45 0.00 1.67 1.57 1.17 1.44 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 0.00 137 D 7.93 4.38 0.00 2.74 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 0.00 138 S 8.06 4.38 0.00 4.28 4.41 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 0.00 139 W 8.43 3.49 0.00 2.81 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 0.00 140 L 7.97 3.86 0.00 1.68 1.75 1.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.23 4.04 0.00 2.24 2.26 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 2.57 2.42 0.00 142 F 8.00 3.19 0.00 1.51 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 0.00 143 L 7.42 3.44 0.00 1.55 1.40 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.55 3.91 0.00 1.73 1.82 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.65 7.81 145 N 7.19 4.84 0.00 2.46 2.70 0.00 0.00 6.77 9.23 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 0.00 146 N 7.63 4.73 0.00 1.94 2.36 0.00 0.00 6.72 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 0.00 147 T 7.85 4.40 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 1.15 0.00 0.00 148 H 7.85 4.50 0.00 3.06 3.32 0.00 5.90 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.60 4.47 0.00 3.79 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 I 8.84 4.62 2.09 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 1.46 0.00 0.00 151 S 8.87 4.81 0.00 4.07 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.60 2.51 0.00 1.64 1.83 0.00 3.13 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 153 D 7.99 4.41 0.00 2.77 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 0.00 154 T 8.08 4.04 4.65 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 1.58 0.00 0.00 155 W 8.36 4.60 0.00 3.46 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 0.00 156 N 8.77 4.82 0.00 2.83 2.98 0.00 0.00 7.15 6.29 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 0.00 157 L 8.56 4.27 0.00 1.92 1.95 0.88 0.27 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 0.00 158 L 8.04 3.75 0.00 1.50 1.47 -0.95 -1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 159 Y 7.59 3.50 0.00 1.90 2.89 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 0.00 160 D 8.03 4.22 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 0.00 161 F 8.92 4.09 0.00 2.84 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 0.00 162 S 7.55 3.66 0.00 3.33 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 0.00 163 Q 6.97 4.07 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.90 0.00 0.00 0.00 0.00 0.00 1.55 1.99 0.00 164 L 6.57 4.21 0.00 1.38 1.48 0.70 0.87 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 *167 K 8.31 4.32 0.00 1.79 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.46 7.81 168 D 8.05 4.36 0.00 2.70 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 0.00 169 L 7.63 3.79 0.00 1.60 1.55 0.74 0.80 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 0.00 170 S 7.90 4.12 0.00 3.84 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 0.00 171 D 7.98 4.76 0.00 2.84 2.69 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 0.00 172 Y 7.62 4.09 0.00 3.10 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 0.00 173 D 8.59 4.31 0.00 2.63 2.34 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 *177 A 9.08 4.22 0.94 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 0.00 178 W 7.84 4.85 0.00 3.38 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.55 0.00 2.35 2.12 0.00 4.03 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 180 V 8.60 3.78 2.17 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 0.99 0.00 0.00 1.07 0.00 0.00 181 L 8.08 4.24 0.00 1.97 1.99 0.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 182 I 7.91 3.76 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 1.13 0.86 0.20 0.00 0.00 183 D 8.32 4.52 0.00 2.94 2.93 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 0.00 184 D 8.82 4.49 0.00 3.20 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 0.00 185 F 7.99 3.07 0.00 2.40 2.89 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 0.00 186 V 7.22 3.12 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 0.52 0.00 0.00 -0.10 0.00 0.00 187 K 7.91 4.09 0.00 2.11 1.89 0.00 1.80 0.00 0.00 1.62 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.67 7.81 188 W 8.47 4.19 0.00 3.54 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 7.83 3.78 0.00 1.55 1.51 0.29 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 190 K 7.53 4.10 0.00 1.88 1.78 0.00 1.82 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.51 7.81 191 H 7.81 3.93 0.00 2.99 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 E 7.93 4.20 0.00 2.05 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.