NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.4075 8.2076 120.4525 54.6206 43.2211 177.5722 9 Y 3.8512 6.2433 117.2380 59.7249 38.0627 176.0495 10 A 4.1063 9.2321 123.5403 53.9372 18.7514 180.7017 11 L 3.8869 7.8187 117.4129 57.8538 41.8900 179.0534 12 A 4.3426 7.6349 121.6421 54.5810 18.2687 179.1598 13 E 3.7086 8.5244 118.2437 59.5610 29.6353 179.4079 14 R 3.9753 7.5815 118.0168 59.0152 30.0187 178.8935 15 Q 3.9533 7.9087 117.3633 59.1430 28.6046 178.9598 16 A 4.0393 8.2160 121.6305 55.1504 18.1349 179.5743 17 Q 3.9973 7.8654 115.5194 58.5034 28.5344 178.1251 18 A 4.2053 7.9774 122.3487 54.8511 18.1651 179.5411 19 L 4.1372 7.9153 116.7870 57.3609 41.4044 179.2187 20 L 3.8173 7.4470 119.5703 57.5558 42.1069 178.2424 21 A 4.2092 7.5696 119.0123 53.2213 18.4802 176.7625 22 H 4.7999 7.3249 114.9050 53.4984 30.0108 173.1776 23 P 4.2519 0.0000 0.0000 65.9848 30.9630 178.2863 24 A 4.1862 8.0994 117.7345 54.0602 18.6488 178.3385 25 T 4.4868 8.3165 106.2797 61.2411 69.8731 175.7262 26 A 4.0522 7.7402 123.8736 55.8362 18.4101 179.8744 27 S 4.3264 8.1356 113.1862 61.5030 62.8060 176.8905 28 G 3.7370 8.1317 107.1956 47.3621 0.0000 175.2770 29 A 4.2270 7.6244 122.0997 55.2639 18.6782 179.6542 30 R 4.0937 8.0359 116.4258 59.1715 29.9684 179.3900 31 F 4.6334 8.0296 115.9530 59.5280 39.1809 176.3977 *33 L 3.9540 7.9503 119.1423 54.3061 43.7039 179.0809 34 G 2.3991 7.7482 105.2582 47.8263 0.0000 175.2864 35 Y 3.8320 7.3321 119.6164 60.1691 37.6705 178.7219 36 V 3.9089 7.7081 117.5049 66.6200 32.0131 177.2733 37 Y 4.3292 8.1150 116.3398 60.9928 37.3742 178.7007 38 A 4.1691 7.7506 121.2193 54.7982 18.5430 180.5680 39 F 4.5466 7.7732 115.0492 57.7732 39.0607 175.9355 *41 D 3.7072 7.9161 116.0185 53.5440 42.2217 176.7954 42 R 4.0793 7.3367 119.0336 54.8246 28.3790 176.7398 43 F 4.5017 7.5722 125.5874 60.5431 39.3865 176.7504 44 D 4.3567 7.9349 118.8118 57.3489 40.8151 178.2902 45 E 3.7623 7.8551 118.2677 58.7206 29.3159 179.1200 46 A 3.8535 7.6442 121.1690 54.9383 18.4262 179.4099 47 R 3.8714 8.0100 117.0103 59.7825 30.3008 178.3659 48 A 3.9937 7.7930 119.9874 55.3516 17.7853 179.5959 49 S 3.9865 8.0266 111.3971 61.6519 62.5110 176.4441 50 F 4.3462 8.3137 120.3926 60.3475 38.5441 177.9014 51 Q 4.0704 8.6936 118.4130 58.6772 28.4977 178.1681 52 A 3.9960 7.9989 121.7401 55.1637 18.3857 179.4788 53 L 3.9852 7.6506 118.5364 58.1557 42.1651 178.9804 54 Q 3.9846 7.9439 119.1560 59.4539 29.1557 178.3371 55 Q 4.0418 8.4123 119.3200 58.8244 28.4417 178.6008 56 Q 3.9452 7.9647 119.8036 59.2132 28.9251 177.9076 57 A 4.1453 8.1826 121.7109 55.0342 18.0902 179.7932 58 Q 4.0179 7.9021 116.3136 58.2937 30.3137 178.4151 59 K 4.3347 7.4616 120.4031 53.7429 29.7965 175.2667 60 S 4.9079 7.9794 126.1636 58.8332 64.4910 177.2164 61 G 4.2468 8.0854 114.5454 45.3691 0.0000 173.0062 62 D 4.2191 8.0347 122.9338 53.6673 39.3034 176.7329 63 H 4.7743 8.6292 120.2604 56.6282 28.6398 177.2237 64 T 4.0994 7.5808 118.1855 66.4642 68.6908 176.8639 65 A 3.9967 7.9409 122.1328 54.9140 18.3783 179.2357 66 E 3.8725 8.1239 117.6791 59.7570 29.9687 178.2346 67 H 4.1554 8.0659 114.8159 59.1131 28.1448 177.3506 68 R 3.6800 7.5918 120.9404 58.9215 29.8981 178.3451 69 A 4.0279 8.1492 120.5265 54.6280 18.2929 179.7847 70 L 3.8183 7.8821 117.9384 58.2111 41.5767 178.7637 71 H 4.1993 7.9549 116.7791 59.5671 29.7835 176.9523 72 Q 3.6624 7.4185 118.3978 58.6266 28.6610 178.3273 73 V 3.8202 7.5610 119.4062 65.7765 31.6186 179.9421 74 G 3.1554 7.9272 106.1515 44.3870 0.0000 175.7997 *76 V 3.9557 7.8005 115.6943 61.0011 33.9776 177.1722 77 E 3.8395 8.0802 119.2058 59.4764 29.5270 179.7264 78 R 2.9869 7.6614 114.6993 56.9831 29.4177 177.5096 *80 A 3.6064 7.9821 118.5122 50.1505 20.1537 178.3334 81 G 3.7736 7.5294 103.1165 46.6218 0.0000 175.4259 82 N 4.7023 7.5553 120.0825 51.5644 36.5516 175.5221 83 W 4.0923 8.2375 124.7833 59.1726 29.5883 177.2848 84 D 4.4971 8.4024 117.8170 57.3297 40.8555 177.9095 85 A 3.9697 8.0455 120.6513 54.8692 18.3041 179.2987 86 A 3.5170 8.0018 119.3167 55.2947 18.4614 179.3644 87 R 3.9845 8.2687 117.1782 60.1310 30.0987 178.3160 88 R 3.9065 8.1394 117.2238 59.7659 30.1247 178.9331 89 C 4.0155 7.8622 116.1092 62.7704 27.9740 176.2746 90 F 4.4512 7.9752 119.5692 60.2774 38.4314 177.5239 91 L 3.9864 8.2559 120.2578 58.2446 41.8688 178.7622 92 E 3.9356 8.3420 119.2328 59.2517 29.6049 178.3367 93 E 4.0117 8.4762 119.5442 59.1598 29.4243 178.7111 94 R 3.9266 8.0906 118.2889 59.4851 30.4346 177.9109 95 E 4.0582 7.9518 117.9897 59.5151 29.4654 179.0075 96 L 3.9457 7.7905 118.1761 58.3353 41.6997 179.9660 97 L 3.9706 7.9866 118.1536 57.5975 41.2813 179.3770 98 A 4.0271 7.9670 120.0880 54.2683 18.3371 178.8579 99 S 4.4620 7.6521 110.9163 58.5370 64.0249 174.7227 100 L 4.3841 6.6835 122.1008 52.8490 42.4739 174.7768 101 P 4.3727 0.0000 0.0000 62.3051 31.8245 176.4902 102 E 3.9291 8.4351 118.8381 57.0582 29.9728 177.6553 103 D 4.4428 8.0443 120.4142 51.6654 42.5309 173.7031 104 P 3.8982 0.0000 0.0000 64.6687 31.4945 178.0659 105 L 3.9034 7.8999 118.7877 58.0502 42.1936 178.4126 106 A 3.9920 8.1770 120.5546 55.3568 18.2626 179.5364 107 A 3.9391 8.0257 119.1466 54.9544 18.3154 179.8161 108 S 4.1876 8.3880 111.7206 61.7056 62.7050 176.1519 109 A 4.0564 8.0633 123.4135 55.2197 18.0112 179.2026 110 N 4.2381 8.3196 115.1911 56.6985 39.0465 176.7371 111 A 4.1651 8.3842 123.9756 54.8548 18.4003 178.7574 112 Y 3.9140 8.6592 118.0173 61.1637 38.7973 178.4698 113 E 3.7079 8.0281 118.8245 59.1120 29.3664 179.4697 114 V 3.5816 7.7753 118.2974 65.7270 31.5601 177.9919 115 A 3.5913 7.8457 120.9130 54.9870 17.8629 179.8658 116 T 3.8032 7.1905 114.0886 66.6710 68.5554 177.2047 117 V 3.9184 7.8529 119.9531 66.0959 31.6227 177.8338 118 A 4.0817 8.1427 120.4976 55.1133 18.1563 179.4054 119 L 3.8421 7.9251 118.7559 58.6035 42.0060 178.4115 120 H 3.5635 8.0718 117.2581 58.9032 29.5852 176.1696 121 F 4.5719 7.9697 116.4167 57.1562 39.2265 176.7263 122 G 3.9192 8.0636 107.6383 45.7433 0.0000 175.1133 123 D 4.6510 7.9142 120.7552 53.0443 37.9290 176.2132 124 L 3.9734 7.7970 124.0435 57.4576 42.3595 178.5512 125 A 4.0977 8.0829 120.3409 55.2227 18.3191 179.7603 126 G 3.7412 8.7503 105.2645 47.3358 0.0000 175.8312 127 A 3.8424 8.0952 123.0639 54.5139 18.3831 179.6452 128 R 3.8906 8.1280 117.4963 59.8061 30.1360 178.6117 129 Q 3.9477 7.9561 119.0754 59.1487 29.0574 178.0188 130 E 3.8699 8.0898 119.6979 59.5795 29.4262 178.8345 131 Y 4.3797 7.8325 116.8743 61.1370 37.8735 178.6541 132 E 3.8796 8.3252 119.5510 59.1146 29.5284 179.4107 133 K 3.4885 8.0674 118.6007 59.5343 32.2806 179.1272 134 S 4.2518 8.4763 113.5788 61.4054 62.3126 176.1550 135 L 3.8565 8.1817 123.3859 58.1151 41.9877 179.3687 136 V 3.6111 7.5927 119.1839 65.0308 31.3391 177.8777 137 Y 4.5007 8.1975 117.5864 60.8790 37.6518 178.4735 138 A 4.1299 7.9980 121.2819 54.8350 18.4068 179.8367 139 Q 3.9161 7.9308 116.4779 59.2618 28.6205 178.5864 140 Q 4.0165 7.7446 116.9653 59.0038 28.9684 178.4525 141 A 4.2263 7.9046 117.9113 51.4636 19.9495 176.5600 142 D 4.2194 7.6037 116.8343 55.6227 39.0227 175.4099 143 D 4.7885 7.8571 118.6063 52.0763 41.6637 175.9435 144 Q 4.0359 8.4414 125.7887 58.6906 28.7112 178.5984 145 V 3.5757 7.8630 118.6555 65.6648 31.6325 177.8659 146 A 3.8837 7.8746 120.2938 54.9003 18.3976 179.3758 147 I 3.5486 7.7966 118.1211 64.4451 37.3249 178.2587 148 A 3.9014 8.1619 121.7728 55.6477 18.1196 179.4945 149 C 4.3080 8.3590 114.9991 62.8511 28.0275 176.5040 150 A 4.1119 8.0021 122.5173 55.1469 17.9353 179.5482 151 F 4.1151 7.8009 115.8512 60.7976 39.0430 177.6507 152 R 4.3799 8.2816 118.2003 59.7390 29.8454 178.7854 153 G 2.8747 7.8978 105.1699 47.3679 0.0000 175.6482 154 L 3.8833 7.7366 122.1547 57.4267 41.5627 179.6686 155 G 3.2394 8.1542 105.7402 48.0676 0.0000 175.3733 156 D 4.6224 8.3216 121.0359 56.7600 40.6838 178.6969 157 L 3.9673 7.9258 120.9600 57.9651 42.0500 178.7403 158 A 3.9167 8.2836 121.1669 55.1625 18.2163 179.2185 159 Q 3.7863 7.9894 118.1987 59.5469 28.9050 178.3463 160 Q 3.9930 7.7284 118.5998 59.0825 29.0465 177.4286 161 E 4.3089 7.6264 116.7837 55.3007 29.6975 176.3834 162 K 3.8868 7.8833 117.4782 57.5528 30.5177 176.6040 163 N 4.6360 7.9830 119.5585 52.7276 36.7001 174.5376 164 L 3.8765 7.8082 125.2084 56.6427 41.7366 177.9552 165 L 3.9061 7.8785 120.1789 58.2195 41.9232 178.5904 166 E 3.8108 8.2591 118.3926 58.8286 29.5409 178.3741 167 A 3.3520 7.8732 121.0793 54.9842 18.3208 179.0700 168 Q 4.0206 8.1305 118.3044 59.7552 28.7912 179.0512 169 Q 3.9295 7.5837 117.7524 59.3678 28.7468 178.4969 170 H 4.3437 7.9814 117.2262 58.6511 28.6925 177.9520 171 W 4.6334 8.4502 120.9933 59.6080 29.0303 178.5862 172 L 4.1713 8.1877 119.0787 57.1682 41.0766 179.4933 173 R 3.6680 7.6746 118.6951 59.1726 30.0326 178.2023 174 A 3.9527 7.8956 120.6205 55.1602 18.3492 179.4926 175 R 4.0303 8.1402 117.1627 59.8200 29.7075 178.4732 176 D 4.3835 8.0037 118.2191 57.4148 40.8229 178.9551 177 I 3.7116 7.6246 120.0645 64.4954 37.0676 178.5589 178 F 4.4875 8.1519 118.2603 60.4977 38.6315 177.6506 179 A 4.0698 8.0478 120.3537 55.1348 17.9472 179.5531 180 E 4.0119 7.6587 115.2232 59.3037 29.6984 178.8908 181 L 4.2061 7.9790 116.5597 54.8367 41.7365 176.7780 182 E 3.8468 7.7759 117.4075 57.4012 27.8113 175.5918 183 D 4.6720 8.2037 120.3258 53.1700 40.1529 175.6914 184 S 4.2500 8.2033 121.0119 60.3548 63.4586 176.2670 185 E 3.8295 8.1213 122.1754 59.3847 29.3760 178.7647 186 A 3.6308 7.8479 120.6820 54.7415 17.9511 179.7091 187 V 3.5264 7.3337 115.8651 66.2049 31.6975 177.2897 188 N 4.3711 7.7571 115.1098 56.9808 38.9314 176.2445 189 E 4.0515 8.1198 119.6899 59.0088 29.6745 179.4343 190 L 4.0328 7.8632 119.9144 54.7263 41.7135 179.6251 *192 T 4.1551 7.8797 115.9060 63.9070 70.4694 176.4503 193 R 3.4503 7.1635 118.5483 59.4267 30.2547 178.6933 194 L 4.3170 7.6254 118.0091 58.1352 41.5644 179.4936 195 N 4.6077 8.1374 115.7415 55.6361 38.4423 176.9036 196 G 3.8837 8.0526 105.2091 45.7558 0.0000 173.6164 197 L 4.4076 7.4490 121.6853 55.3464 42.2093 176.3799 198 E 4.4678 7.4573 117.9019 55.5557 31.6225 176.0851 199 H 4.4470 8.4289 114.4777 56.5257 28.7067 175.0659 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 8 D 8.21 4.41 0.00 1.98 2.43 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 9 Y 6.24 3.85 0.00 3.25 3.22 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 10 A 9.23 4.11 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 11 L 7.82 3.89 0.00 1.75 1.68 0.85 0.89 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 12 A 7.63 4.34 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 13 E 8.52 3.71 0.00 1.83 1.92 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 2.30 2.37 0.00 14 R 7.58 3.98 0.00 1.84 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.88 0.00 15 Q 7.91 3.95 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 16 A 8.22 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.87 4.00 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 18 A 7.98 4.21 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 19 L 7.92 4.14 0.00 1.96 1.78 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.45 3.82 0.00 1.81 1.85 0.95 1.03 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 21 A 7.57 4.21 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 22 H 7.32 4.80 0.00 3.22 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.25 0.00 2.09 2.16 0.00 3.90 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 2.15 2.10 0.00 24 A 8.10 4.19 1.31 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 0.00 0.00 25 T 8.32 4.49 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 26 A 7.74 4.05 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 27 S 8.14 4.33 0.00 3.92 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 28 G 8.13 3.74 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 0.00 0.00 0.00 29 A 7.62 4.23 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 30 R 8.04 4.09 0.00 2.10 2.20 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 31 F 8.03 4.63 0.00 3.33 3.15 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 *33 L 7.95 3.95 0.00 1.79 1.83 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.75 2.40 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 0.00 35 Y 7.33 3.83 0.00 2.80 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 36 V 7.71 3.91 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 0.65 0.00 0.00 0.98 0.00 0.00 37 Y 8.12 4.33 0.00 3.09 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.75 4.17 1.31 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 0.00 0.00 39 F 7.77 4.55 0.00 3.33 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 *41 D 7.92 3.71 0.00 2.47 2.43 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 42 R 7.34 4.08 0.00 1.81 1.93 0.00 2.72 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.76 0.00 43 F 7.57 4.50 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.36 0.00 2.64 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 45 E 7.86 3.76 0.00 1.34 1.12 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 2.00 2.06 0.00 46 A 7.64 3.85 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 47 R 8.01 3.87 0.00 2.02 2.08 0.00 3.10 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.66 0.00 48 A 7.79 3.99 1.32 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 0.00 0.00 0.00 49 S 8.03 3.99 0.00 4.03 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.10 3.84 1.31 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 0.00 0.00 128 R 8.13 3.89 0.00 1.92 2.14 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 129 Q 7.96 3.95 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 130 E 8.09 3.87 0.00 1.76 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 131 Y 7.83 4.38 0.00 2.96 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 0.00 132 E 8.33 3.88 0.00 2.21 1.92 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 2.29 2.46 0.00 133 K 8.07 3.49 0.00 1.89 1.59 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.51 7.81 134 S 8.48 4.25 0.00 4.04 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 0.00 135 L 8.18 3.86 0.00 1.60 1.71 0.55 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 136 V 7.59 3.61 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 0.41 0.00 0.00 0.89 0.00 0.00 137 Y 8.20 4.50 0.00 2.99 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 0.00 138 A 8.00 4.13 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 0.00 139 Q 7.93 3.92 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 140 Q 7.74 4.02 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 141 A 7.90 4.23 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 0.00 142 D 7.60 4.22 0.00 2.81 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 0.00 143 D 7.86 4.79 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.44 4.04 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 145 V 7.86 3.58 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 1.28 0.00 0.00 1.00 0.00 0.00 146 A 7.87 3.88 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 0.00 147 I 7.80 3.55 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.89 1.10 0.00 0.00 148 A 8.16 3.90 0.35 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 0.00 149 C 8.36 4.31 0.00 2.99 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 0.00 150 A 8.00 4.11 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 0.00 151 F 7.80 4.12 0.00 3.33 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 0.00 152 R 8.28 4.38 0.00 2.22 2.34 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 153 G 7.90 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 0.00 0.00 0.00 154 L 7.74 3.88 0.00 1.52 1.38 0.95 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.15 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 0.00 0.00 0.00 156 D 8.32 4.62 0.00 3.03 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 0.00 157 L 7.93 3.97 0.00 1.97 1.86 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 158 A 8.28 3.92 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 0.00 159 Q 7.99 3.79 0.00 2.02 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 160 Q 7.73 3.99 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 161 E 7.63 4.31 0.00 1.99 1.94 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 2.31 2.60 0.00 162 K 7.88 3.89 0.00 1.84 1.87 0.00 1.58 0.00 0.00 1.63 0.00 0.00 3.20 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 163 N 7.98 4.64 0.00 2.69 2.63 0.00 0.00 7.27 6.76 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 0.00 164 L 7.81 3.88 0.00 1.70 1.67 0.94 0.48 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 0.00 165 L 7.88 3.91 0.00 1.71 1.62 0.90 0.86 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 0.00 166 E 8.26 3.81 0.00 2.04 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 2.26 2.19 0.00 167 A 7.87 3.35 0.51 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 0.00 168 Q 8.13 4.02 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 169 Q 7.58 3.93 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 170 H 7.98 4.34 0.00 3.09 3.69 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 W 8.45 4.63 0.00 3.50 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 0.00 172 L 8.19 4.17 0.00 1.86 1.71 0.94 0.86 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 0.00 173 R 7.67 3.67 0.00 1.50 1.34 0.00 2.90 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.82 0.00 174 A 7.90 3.95 1.67 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 0.00 0.00 175 R 8.14 4.03 0.00 2.06 2.24 0.00 3.30 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 176 D 8.00 4.38 0.00 3.02 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 0.00 177 I 7.62 3.71 1.62 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.01 0.79 0.00 0.00 178 F 8.15 4.49 0.00 3.37 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 A 8.05 4.07 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 0.00 180 E 7.66 4.01 0.00 2.09 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 2.35 2.59 0.00 181 L 7.98 4.21 0.00 1.89 1.84 0.94 0.80 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 0.00 182 E 7.78 3.85 0.00 2.14 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 2.27 2.25 0.00 183 D 8.20 4.67 0.00 2.80 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 0.00 0.00 0.00 0.00 184 S 8.20 4.25 0.00 4.08 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 0.00 185 E 8.12 3.83 0.00 2.03 1.94 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 2.36 2.28 0.00 186 A 7.85 3.63 0.18 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 0.00 0.00 187 V 7.33 3.53 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 0.84 0.00 0.00 1.05 0.00 0.00 188 N 7.76 4.37 0.00 2.82 2.94 0.00 0.00 7.35 7.79 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 0.00 189 E 8.12 4.05 0.00 2.06 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 2.25 2.42 0.00 190 L 7.86 4.03 0.00 1.89 1.63 1.24 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *192 T 7.88 4.16 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 1.14 0.00 0.00 193 R 7.16 3.45 0.00 0.93 0.66 0.00 2.51 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.18 0.00 194 L 7.63 4.32 0.00 1.76 1.77 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 195 N 8.14 4.61 0.00 2.71 2.86 0.00 0.00 6.99 7.81 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 0.00 196 G 8.05 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 0.00 197 L 7.45 4.41 0.00 1.87 1.80 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 198 E 7.46 4.47 0.00 2.14 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 0.00 2.27 2.19 0.00 199 H 8.43 4.45 0.00 3.21 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.