NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0234 8.0549 120.4309 62.2925 33.7670 175.7131 4 R 4.4325 7.9674 119.9201 53.8516 31.5907 174.8264 5 L 3.4804 9.0241 126.0794 58.2434 42.5318 178.5495 6 S 3.9472 7.9932 112.2234 61.3702 62.1177 175.5678 7 K 3.8414 8.1743 121.6919 60.1985 31.9282 178.5797 8 T 3.8804 7.9893 115.7234 66.2415 68.3155 176.5578 9 L 3.6126 8.1301 122.4728 58.1149 42.1824 178.9063 10 A 4.1081 8.4351 121.0697 55.1217 18.1442 179.8742 11 G 3.5735 7.6856 104.0902 47.9080 0.0000 176.1727 12 I 3.5885 7.1838 120.8742 63.4146 37.1778 177.5575 13 L 4.3632 7.6687 117.1910 55.2020 42.2436 177.8067 14 R 4.4002 7.6388 117.0295 56.5984 31.6459 177.2138 15 H 4.7292 8.0878 111.3087 55.4176 32.0405 173.5783 16 H 4.9877 8.0603 114.1324 52.3752 28.4544 171.5293 17 P 4.2740 0.0000 0.0000 66.4367 31.6208 177.9668 18 G 3.8919 8.1656 103.8308 48.1573 0.0000 174.8663 19 R 3.6428 7.3978 120.0902 58.7507 30.0039 176.6112 20 Y 4.4472 8.4161 114.9229 57.1102 38.3546 176.0136 21 G 3.8951 8.7538 107.7233 46.6526 0.0000 174.0451 22 V 4.3019 7.8104 118.3190 60.4752 33.3533 174.4413 23 R 4.6050 8.2206 126.2615 54.4704 31.5412 175.1289 24 L 5.6047 8.4882 123.8340 52.3043 44.6118 176.4765 25 T 4.4239 8.1215 111.9523 60.5736 70.6706 175.7031 26 R 3.9648 8.4235 119.1906 59.2720 30.0893 178.4328 27 E 4.6638 7.6518 114.7326 56.2966 29.5803 177.7673 28 G 3.7777 8.0587 107.9231 44.6718 0.0000 174.1094 29 W 4.5864 7.6873 119.1316 57.0461 30.6388 174.8049 30 A 5.0527 8.9788 122.3101 50.7363 22.9671 175.4706 31 R 4.5960 8.5082 118.5248 55.5721 31.4381 177.9831 32 V 3.5344 8.4793 123.7798 66.0610 31.5847 178.3665 33 S 4.2770 8.0149 114.7693 61.0494 62.6706 176.0156 34 E 4.0184 8.1358 122.6869 58.6269 29.2770 178.8428 35 V 3.4881 7.7711 118.4014 65.7503 31.5620 178.0839 36 V 3.3875 8.1280 118.3411 65.9495 31.3822 177.4771 37 E 3.9774 8.6453 119.3861 59.3341 28.9742 178.7665 38 G 3.9960 8.0624 106.9959 47.3892 0.0000 175.5652 39 L 4.1492 8.2055 121.5478 57.3343 41.5410 179.8632 40 R 4.5443 7.9933 119.5314 58.8579 29.9182 179.1739 41 K 4.3376 8.4774 116.3054 58.2624 31.9614 177.9925 42 A 4.6478 7.4745 119.3142 51.6056 19.2586 177.7769 43 G 3.8936 8.6412 107.5978 46.2644 0.0000 175.4547 44 W 4.4379 8.3466 121.9359 54.9589 27.6791 177.0516 45 S 4.1560 8.3097 118.3859 61.0945 62.7642 176.2073 46 W 4.3850 7.9870 115.2093 58.1713 28.4124 176.6778 47 V 2.8538 6.7038 119.2254 63.0709 31.3213 174.6723 48 E 4.8346 8.2961 124.7248 53.5655 33.1774 176.0875 49 E 3.9191 9.0182 120.7178 59.7052 29.3767 179.9745 50 W 4.3099 8.2940 116.1139 59.5263 28.2912 178.0916 51 H 3.4033 7.2801 117.1137 58.6539 28.2094 177.5573 52 I 3.2406 7.5276 120.9436 64.4587 36.8203 178.5208 53 V 3.6674 7.6542 118.6285 65.6107 31.2844 178.3133 54 G 3.5130 8.4547 105.9249 47.8666 0.0000 175.5778 55 V 3.5023 8.3859 122.1073 65.6621 31.1680 178.0159 56 A 4.0151 7.4370 118.9454 55.1065 18.3916 179.3539 57 L 4.1643 8.4403 116.4339 57.0688 41.8658 177.6859 58 H 4.8514 8.0718 113.9811 55.2999 29.5678 174.8129 59 D 4.4990 7.5945 118.8368 54.2870 41.6302 174.6229 60 P 4.4754 0.0000 0.0000 65.4847 31.7068 178.3968 61 K 4.0244 8.1328 115.1507 56.9891 31.8494 176.8321 62 G 3.9210 7.9789 107.2624 46.5578 0.0000 176.4848 63 R 3.5386 8.7878 121.5439 57.9966 30.2474 176.3322 64 Y 5.2285 7.0816 110.0524 55.9518 41.7175 174.7805 65 E 4.9070 8.8849 120.1902 54.6806 33.4808 174.1387 66 L 6.0927 8.5533 123.1826 52.2497 46.0076 176.0685 67 R 4.0782 8.9111 112.7945 57.1138 31.3924 175.4267 68 N 3.8493 8.6591 116.6868 55.7098 36.0134 173.5484 69 G 3.9512 7.9622 110.4496 46.0997 0.0000 170.4317 70 E 5.3207 8.6828 117.3481 54.8246 34.8002 174.4024 71 I 5.6950 9.6190 120.0280 60.8520 42.0757 173.4282 72 R 4.7484 8.0152 121.6824 54.8675 32.5163 173.8176 73 A 4.3322 8.2319 121.6573 51.7489 19.0064 177.9337 74 R 4.0680 8.0144 118.5671 57.7471 30.8504 175.9208 75 Y 4.5383 6.8835 113.8783 57.3596 39.9681 175.1907 76 G 3.8780 9.4689 108.6197 46.5568 0.0000 173.6442 77 H 4.4231 7.5167 117.6368 55.7176 29.4094 176.0583 78 S 4.8273 8.9443 115.4280 57.8836 63.7787 173.3391 79 I 4.4924 7.3561 121.6702 58.6812 39.0560 173.5934 80 P 4.3038 0.0000 0.0000 63.0802 31.5345 175.9129 81 V 4.4934 7.8294 120.8251 60.7388 34.3867 172.3678 82 N 4.9058 9.4452 121.1334 51.9448 41.2038 173.1586 83 V 4.6796 8.2304 126.0187 60.8658 33.8454 175.1981 84 E 4.1837 8.8809 127.3063 55.7378 30.0904 174.8066 85 P 4.7910 0.0000 0.0000 62.6644 32.5808 175.4351 86 L 4.7293 8.9202 122.0409 52.5702 43.5926 175.3521 87 P 4.2938 0.0000 0.0000 63.2919 32.2124 175.0045 88 G 3.6515 9.0448 110.3900 44.0213 0.0000 173.6347 89 E 4.1099 8.6107 127.0567 55.4436 30.3452 174.6640 90 P 4.3295 0.0000 0.0000 61.2597 31.9120 174.5453 91 P 4.4914 0.0000 0.0000 61.5504 32.1987 175.8648 92 P 4.3382 0.0000 0.0000 64.9931 32.3071 176.6211 93 I 4.9248 7.0297 115.5692 59.2504 40.1854 175.4611 94 L 4.5884 8.3970 124.9019 53.1511 45.9267 175.5218 95 Y 5.1564 9.2354 120.0030 57.3465 41.1621 174.4220 96 H 4.9165 8.9328 120.2037 55.3767 33.4924 173.1848 97 G 4.1909 8.3997 113.0916 46.0239 0.0000 172.6629 98 T 4.4620 7.6317 112.5616 62.5754 72.9186 171.6154 99 T 4.7603 7.9810 109.8947 60.1598 71.0338 175.2872 100 E 3.9429 8.6916 123.4241 59.8122 29.2064 179.7129 101 E 4.0241 7.5926 117.8349 58.9619 29.7451 178.6094 102 A 4.2792 8.2497 120.5168 53.7691 18.5021 179.3703 103 L 3.9432 7.6415 117.4829 57.3900 41.7727 176.6671 104 P 4.3929 0.0000 0.0000 65.7262 31.7814 177.4444 105 L 4.1243 8.0859 118.9754 58.3930 42.2562 180.5033 106 I 4.6002 7.6189 120.1969 60.7275 37.0407 178.3352 *108 E 4.2970 8.2963 119.3243 56.6185 31.2216 177.8070 109 R 4.1805 8.5254 116.5204 57.2979 30.9214 176.5229 110 G 3.8181 8.3076 103.1777 44.2549 0.0000 172.6085 111 I 4.3354 8.1367 119.8363 60.2821 38.7792 176.8580 *113 R 4.1572 8.4748 120.9988 56.4420 31.8112 176.4765 114 G 3.9134 8.0417 104.4441 45.1969 0.0000 173.2633 115 R 4.1459 8.5115 114.6937 58.5019 30.2715 177.6791 116 R 4.2957 7.7840 116.4016 55.7965 30.8293 176.5047 117 L 4.1164 8.8151 122.0983 57.6717 41.6999 177.6493 118 K 4.7227 7.7419 114.2142 54.2707 35.8004 175.3240 119 V 4.1209 8.6501 121.8980 62.7493 32.6215 174.4125 120 H 5.3542 8.9308 124.8417 54.5461 30.4998 174.4545 121 L 5.0531 9.1976 121.8667 53.2446 45.6066 175.4128 122 T 5.3105 9.3520 117.8694 60.4964 69.9910 174.6557 123 S 4.5481 9.0529 121.0311 59.3526 64.4751 173.8839 124 S 4.5295 8.0709 117.1251 56.6025 62.8104 173.9594 125 L 3.0505 8.2373 130.0450 58.0309 41.8434 178.2294 126 E 3.8506 7.9887 118.5611 59.3660 29.4273 178.3839 127 D 4.2923 8.0136 118.4967 57.4387 40.8943 178.4418 128 A 3.9612 7.8281 121.1298 55.2132 18.1886 179.9872 129 V 3.4633 7.5401 116.2230 66.4611 31.5140 178.5724 130 S 4.2189 7.6983 113.0676 61.6852 62.7999 176.8003 131 T 4.1337 8.3322 119.0700 66.6041 68.4002 176.9078 132 G 3.6383 8.2095 107.7538 47.8740 0.0000 175.3976 133 R 4.0531 8.1818 119.7261 58.3943 30.0672 178.2344 134 R 4.3048 7.9923 117.4208 57.4216 30.2104 176.0664 135 H 4.6939 7.4923 113.5541 54.0891 30.3634 173.6044 136 G 3.8941 8.8312 115.9276 44.6632 0.0000 171.0796 137 N 4.8922 8.1183 115.2083 51.9972 42.6188 173.7430 138 L 3.7988 8.2358 113.7783 55.8316 37.5695 174.8672 139 V 4.2533 7.5965 119.1159 63.2974 33.5293 175.5746 140 A 4.8137 9.0695 127.9645 50.3680 22.0134 174.9032 141 V 4.3941 8.3745 122.6571 62.1877 33.6576 174.7184 142 L 5.1813 9.2127 127.7830 53.0750 44.5641 175.2832 143 L 4.6236 9.2009 124.0268 53.5391 43.5580 175.5726 144 V 4.4426 8.7809 125.4070 61.0916 33.5764 174.1946 145 D 4.7617 9.0923 129.0254 53.7524 41.3742 176.9587 146 V 3.4863 8.8294 127.2533 66.0942 31.5210 177.3770 147 E 3.8622 8.1600 117.7777 59.8181 29.3244 179.5519 148 C 4.0204 8.6814 118.4338 59.8399 37.8982 175.7818 149 L 3.7885 7.4218 120.1738 58.0003 41.2929 179.6022 150 R 4.0553 8.0408 117.9402 59.5815 29.7405 179.4105 151 R 4.0013 8.0321 117.0942 58.9872 30.1806 178.5998 152 R 4.1550 7.5939 115.4725 56.7932 30.1192 177.7717 153 G 3.9761 8.1134 107.6335 45.1759 0.0000 174.0115 154 L 4.1565 7.4060 120.6457 54.2583 41.8794 177.0798 155 K 4.1381 8.5448 123.5169 56.4496 33.5362 176.4819 156 V 4.5185 8.2493 121.2290 61.5715 33.2199 174.1892 157 E 4.7961 8.8398 127.9895 54.7799 32.1569 175.8752 158 R 4.2373 8.3535 123.1152 54.9028 32.6284 175.0917 *160 S 4.4229 8.2985 116.2494 57.3258 64.1192 173.5809 161 K 3.9270 8.5339 121.7310 59.1756 31.9110 176.7403 162 T 4.7103 7.8237 105.2151 61.0290 70.8132 173.4374 163 V 4.7287 7.1902 123.2183 61.5300 33.0454 174.3253 164 Y 5.0561 9.1365 124.8571 56.4241 42.4917 174.3378 165 T 5.2044 8.7907 109.7887 60.7497 72.8379 173.0874 166 V 4.7814 8.4602 113.9631 60.4689 36.2084 175.2600 167 D 4.4321 9.0007 123.4543 57.1375 40.8545 176.7198 168 W 5.0716 7.7773 111.8166 55.6565 31.1509 173.7552 169 V 3.8432 8.0180 120.5652 60.2159 32.9471 173.2323 170 P 3.2139 0.0000 0.0000 61.3289 31.9857 175.8008 171 P 4.1986 0.0000 0.0000 66.0141 31.3755 178.0608 172 E 4.1523 7.9867 114.5738 58.0554 29.7397 177.7979 173 C 4.5202 8.4375 116.5541 56.5136 40.7370 173.0631 174 I 4.4703 7.3079 121.7268 60.5046 36.7080 175.4619 175 A 4.4039 8.5239 128.1831 53.0682 19.7539 176.6756 176 E 4.6708 7.5900 113.4529 55.2669 33.1399 174.2829 177 V 4.7802 8.5367 125.6651 61.1431 34.3209 174.5774 178 R 4.5885 8.9461 126.9816 54.4164 33.0100 175.0722 179 R 4.6046 8.5252 124.4926 55.2900 30.8688 177.6624 180 E 4.2181 9.0627 123.4331 58.8442 30.1162 179.1546 181 S 4.2491 7.8440 113.8716 59.6757 63.7337 174.1860 182 L 4.2543 7.6546 126.0271 54.8825 41.4765 176.1134 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 3 V 8.05 4.02 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 0.98 0.00 0.00 0.93 0.00 0.00 4 R 7.97 4.43 0.00 2.08 1.93 0.00 3.25 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.83 0.00 5 L 9.02 3.48 0.00 1.91 1.70 0.12 0.69 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 6 S 7.99 3.95 0.00 3.94 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 7 K 8.17 3.84 0.00 1.90 2.02 0.00 1.81 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.59 7.81 8 T 7.99 3.88 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 0.95 0.00 0.00 9 L 8.13 3.61 0.00 1.53 1.71 0.62 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.44 4.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.69 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 12 I 7.18 3.59 1.73 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.28 0.75 0.00 0.00 13 L 7.67 4.36 0.00 1.53 1.61 0.99 0.62 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 14 R 7.64 4.40 0.00 1.50 1.43 0.00 3.00 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.32 0.00 15 H 8.09 4.73 0.00 3.16 3.30 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.06 4.99 0.00 3.35 3.46 0.00 5.27 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.27 0.00 2.20 2.14 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.29 0.00 18 G 8.17 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 19 R 7.40 3.64 0.00 1.98 2.37 0.00 3.14 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 20 Y 8.42 4.45 0.00 3.13 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 21 G 8.75 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 0.00 0.00 0.00 22 V 7.81 4.30 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 0.82 0.00 0.00 0.97 0.00 0.00 23 R 8.22 4.60 0.00 1.85 1.80 0.00 3.28 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 24 L 8.49 5.60 0.00 1.63 1.52 0.87 1.02 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 25 T 8.12 4.42 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 1.33 0.00 0.00 26 R 8.42 3.96 0.00 1.93 2.04 0.00 3.13 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 27 E 7.65 4.66 0.00 2.25 2.42 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 2.44 2.51 0.00 28 G 8.06 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 0.00 0.00 0.00 29 W 7.69 4.59 0.00 3.37 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 30 A 8.98 5.05 1.24 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 0.00 0.00 31 R 8.51 4.60 0.00 1.76 1.86 0.00 3.31 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.58 0.00 32 V 8.48 3.53 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 0.87 0.00 0.00 0.98 0.00 0.00 33 S 8.01 4.28 0.00 4.08 4.18 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 34 E 8.14 4.02 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 35 V 7.77 3.49 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 0.81 0.00 0.00 0.90 0.00 0.00 36 V 8.13 3.39 2.20 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 0.98 0.00 0.00 0.89 0.00 0.00 37 E 8.65 3.98 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 38 G 8.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 4.15 0.00 1.57 1.32 0.26 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.99 4.54 0.00 2.03 1.98 0.00 3.32 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 41 K 8.48 4.34 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.63 7.81 42 A 7.47 4.65 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.64 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 44 W 8.35 4.44 0.00 3.10 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.31 4.16 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 7.99 4.39 0.00 3.68 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 6.70 2.85 1.68 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 0.33 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 0.00 0.00 57 L 8.44 4.16 0.00 1.53 1.74 0.94 1.26 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 58 H 8.07 4.85 0.00 3.24 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 D 7.59 4.50 0.00 3.07 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 60 P 0.00 4.48 0.00 2.25 2.10 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 61 K 8.13 4.02 0.00 1.92 1.98 0.00 1.91 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.47 7.81 62 G 7.98 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 63 R 8.79 3.54 0.00 1.22 0.98 0.00 2.99 0.00 0.00 2.80 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.79 0.00 64 Y 7.08 5.23 0.00 2.75 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 65 E 8.88 4.91 0.00 1.98 1.63 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 2.41 2.37 0.00 66 L 8.55 6.09 0.00 1.59 1.59 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.91 4.08 0.00 1.66 1.70 0.00 2.33 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 68 N 8.66 3.85 0.00 2.66 2.94 0.00 0.00 7.03 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 69 G 7.96 3.95 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 0.00 0.00 0.00 70 E 8.68 5.32 0.00 1.87 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 2.23 2.37 0.00 71 I 9.62 5.69 1.90 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.89 0.88 0.00 0.00 72 R 8.02 4.75 0.00 1.42 1.21 0.00 2.34 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 73 A 8.23 4.33 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.01 4.07 0.00 1.74 2.02 0.00 3.26 0.00 0.00 3.33 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 75 Y 6.88 4.54 0.00 3.24 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 76 G 9.47 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 77 H 7.52 4.42 0.00 3.20 3.31 0.00 5.56 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.94 4.83 0.00 4.12 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 0.00 79 I 7.36 4.49 1.85 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 1.43 0.80 0.89 0.00 0.00 80 P 0.00 4.30 0.00 2.03 2.01 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 81 V 7.83 4.49 2.04 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 90 P 0.00 4.33 0.00 1.83 1.36 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 91 P 0.00 4.49 0.00 2.19 1.89 0.00 3.07 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 92 P 0.00 4.34 0.00 1.98 2.03 0.00 3.45 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 93 I 7.03 4.92 1.63 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.38 0.00 0.00 94 L 8.40 4.59 0.00 1.36 1.38 0.35 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 95 Y 9.24 5.16 0.00 2.89 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 96 H 8.93 4.92 0.00 3.29 3.14 0.00 5.77 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.40 4.19 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.24 3.05 0.00 1.18 1.35 0.78 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 126 E 7.99 3.85 0.00 2.01 1.88 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 2.35 2.37 0.00 127 D 8.01 4.29 0.00 2.93 2.70 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 0.00 0.00 0.00 0.00 128 A 7.83 3.96 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 0.00 129 V 7.54 3.46 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 1.04 0.00 0.00 0.90 0.00 0.00 130 S 7.70 4.22 0.00 4.03 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 0.00 131 T 8.33 4.13 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 132 G 8.21 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.18 4.05 0.00 1.84 2.19 0.00 3.26 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 134 R 7.99 4.30 0.00 2.01 2.01 0.00 3.34 0.00 0.00 3.29 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.80 0.00 135 H 7.49 4.69 0.00 3.26 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.83 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 0.00 137 N 8.12 4.89 0.00 2.67 2.72 0.00 0.00 7.02 7.85 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 0.00 138 L 8.24 3.80 0.00 1.88 1.98 0.92 1.01 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 0.00 139 V 7.60 4.25 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 0.93 0.00 0.00 0.92 0.00 0.00 140 A 9.07 4.81 1.24 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 0.00 0.00 141 V 8.37 4.39 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.92 0.00 0.00 142 L 9.21 5.18 0.00 1.65 1.54 1.06 0.46 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 0.00 143 L 9.20 4.62 0.00 1.63 1.44 1.07 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.78 4.44 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 0.83 0.00 0.00 0.90 0.00 0.00 145 D 9.09 4.76 0.00 2.63 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 0.00 146 V 8.83 3.49 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 0.93 0.00 0.00 0.79 0.00 0.00 147 E 8.16 3.86 0.00 2.14 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 2.36 2.41 0.00 148 C 8.68 4.02 0.00 2.89 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 0.00 149 L 7.42 3.79 0.00 1.85 1.60 0.80 0.67 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 0.00 150 R 8.04 4.06 0.00 1.97 1.97 0.00 3.07 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 151 R 8.03 4.00 0.00 1.89 1.97 0.00 3.14 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 152 R 7.59 4.15 0.00 2.03 1.97 0.00 3.43 0.00 0.00 3.25 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 153 G 8.11 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 0.00 0.00 0.00 154 L 7.41 4.16 0.00 1.71 1.65 0.71 1.63 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 0.00 155 K 8.54 4.14 0.00 1.88 1.82 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 156 V 8.25 4.52 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 0.84 0.00 0.00 0.94 0.00 0.00 157 E 8.84 4.80 0.00 1.99 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 0.00 2.26 2.25 0.00 158 R 8.35 4.24 0.00 1.89 1.87 0.00 3.40 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 *160 S 8.30 4.42 0.00 4.08 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 0.00 161 K 8.53 3.93 0.00 1.73 1.93 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.49 7.81 162 T 7.82 4.71 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 163 V 7.19 4.73 1.50 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 -0.04 0.00 0.00 0.56 0.00 0.00 164 Y 9.14 5.06 0.00 2.86 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 0.00 165 T 8.79 5.20 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 0.88 0.00 0.00 166 V 8.46 4.78 2.08 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 0.70 0.00 0.00 0.94 0.00 0.00 167 D 9.00 4.43 0.00 2.89 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 0.00 168 W 7.78 5.07 0.00 3.62 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 0.00 169 V 8.02 3.84 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.79 0.00 0.00 170 P 0.00 3.21 0.00 1.69 1.52 0.00 3.11 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.44 0.00 171 P 0.00 4.20 0.00 2.17 2.13 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 172 E 7.99 4.15 0.00 1.86 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 2.30 2.37 0.00 173 C 8.44 4.52 0.00 2.85 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 0.00 174 I 7.31 4.47 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.39 0.88 0.00 0.00 175 A 8.52 4.40 1.19 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 0.00 0.00 176 E 7.59 4.67 0.00 1.99 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 2.24 2.25 0.00 177 V 8.54 4.78 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 0.93 0.00 0.00 178 R 8.95 4.59 0.00 1.78 1.82 0.00 3.20 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 179 R 8.53 4.60 0.00 1.77 1.86 0.00 3.13 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.63 0.00 180 E 9.06 4.22 0.00 2.05 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 0.00 2.43 2.26 0.00 181 S 7.84 4.25 0.00 4.01 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 0.00 182 L 7.65 4.25 0.00 1.81 1.61 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.