NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.3246 0.0000 0.0000 62.3561 32.6767 175.5234 11 A 4.0443 8.2549 120.5251 50.8235 18.9300 172.4612 12 V 3.7917 8.8904 120.8172 62.1196 33.3611 172.8316 13 P 4.5044 0.0000 0.0000 62.3716 32.0191 177.4822 14 D 4.6284 8.8588 120.3883 57.5611 40.6440 179.0484 15 A 4.0647 8.1312 120.9188 54.8928 18.1280 179.6429 16 V 3.4752 7.7864 116.9909 66.3607 31.6997 178.5210 17 V 3.4414 7.6429 117.4543 65.6476 31.3772 177.6293 18 R 3.3475 7.7847 118.5395 59.4315 29.9186 178.2806 19 E 3.9067 8.1580 118.1985 59.4864 29.3904 179.3902 20 S 4.0555 7.6555 113.1275 61.2105 62.3347 176.3067 21 I 3.5798 7.6463 122.5154 64.5491 36.8959 178.9199 22 V 3.6257 7.8739 113.3755 64.0824 31.2260 178.9615 23 G 3.5710 8.1821 105.3871 47.7176 0.0000 175.6039 24 A 3.9567 8.1171 123.4465 54.6528 18.3951 179.5092 25 A 3.8788 8.1765 119.5158 55.3784 18.4022 179.6461 26 Q 3.9582 8.1444 117.9676 59.4928 29.2627 178.6128 27 R 3.9524 8.1990 119.1589 59.2972 29.9796 179.1322 28 L 4.0322 8.0374 118.7689 57.6111 41.6483 179.3750 29 L 4.1720 8.0516 118.9782 58.1988 41.4116 179.9167 30 S 4.2655 8.3650 114.1128 60.8644 62.7642 176.1597 31 S 4.6627 7.8106 116.0950 59.7581 63.5357 175.2814 32 G 3.9748 8.0194 107.0286 44.1789 0.0000 173.3452 33 G 3.8313 8.3079 110.0806 44.0769 0.0000 174.2529 34 A 4.0623 8.7179 120.1141 55.2833 18.3099 179.2191 35 A 4.0507 7.9825 117.0556 54.8152 19.2203 177.9153 36 A 4.3791 7.5405 121.2026 51.4873 18.3567 176.8088 *38 T 4.3060 6.9650 119.2204 61.0233 70.5383 176.8003 *40 E 4.2961 8.8491 117.8816 55.9596 31.3950 177.6221 41 G 3.6220 8.4144 105.5781 47.8509 0.0000 175.8479 42 V 3.5653 8.2357 121.3524 65.4827 31.5294 177.8634 43 A 3.9707 7.9487 120.0490 55.2090 18.1331 179.4411 44 S 4.0112 8.1451 111.5567 61.5943 62.3168 176.0429 45 E 3.9357 8.4017 120.9735 59.0456 29.4668 178.1268 46 A 4.1719 8.3520 119.8778 52.1525 19.0209 177.0517 47 G 3.7737 7.8117 105.1470 46.8030 0.0000 173.4969 48 I 4.6373 7.7124 110.2346 57.4503 41.1004 175.6468 49 A 4.1869 8.2930 122.7991 51.7309 20.1990 178.5371 50 K 3.9636 8.7345 123.4213 59.7725 32.1125 179.5616 51 K 4.0830 8.0572 116.8488 60.0005 32.8022 178.8965 52 T 4.1881 7.8102 116.8490 66.4430 68.5816 176.2353 53 L 4.0341 8.2146 122.3955 58.6097 41.9052 178.4995 54 Y 4.7574 8.1545 115.8817 59.7743 37.8267 178.0481 55 R 4.0508 7.9465 118.8522 58.4814 30.1758 177.8832 56 F 4.4999 8.3055 116.1062 57.6208 40.5303 176.1907 57 A 4.6225 7.3023 119.6854 51.0562 21.8681 176.4377 58 S 4.5252 9.0111 117.9512 58.6087 64.1875 173.9692 59 G 3.9982 7.0874 107.7515 43.8901 0.0000 174.2598 60 R 3.8680 8.3808 117.1697 59.1065 29.8334 179.1355 61 A 3.8972 8.0701 120.1389 55.3348 18.4209 179.2253 62 D 4.2843 8.0559 116.8446 57.3912 40.7788 178.8864 63 L 3.8671 7.5724 119.0847 57.7945 41.5110 179.6129 64 I 3.5503 7.5594 119.8503 64.1394 36.8777 178.7174 65 G 3.5130 8.0007 106.6091 47.7534 0.0000 175.7659 66 L 3.8866 8.1037 121.7747 57.1812 41.3675 179.2878 67 L 3.4859 7.5943 119.5123 58.0303 42.4447 178.8985 68 V 2.6565 7.2865 118.1662 65.6206 31.4160 177.4694 69 E 3.8941 8.1251 119.4522 59.2864 29.1944 178.9636 70 S 4.3729 7.4881 113.2383 60.8926 63.0419 176.1849 71 W 4.6184 7.5797 122.1344 58.8294 29.2754 177.5583 72 I 4.3237 7.6509 111.1395 61.5446 37.9698 177.4337 73 A 4.0329 8.2927 123.9077 54.9181 18.2065 176.9332 74 P 4.4998 0.0000 0.0000 64.3805 31.8196 177.9612 75 I 3.7666 7.9489 120.1698 64.3720 37.0975 178.3019 76 F 3.9780 8.1403 116.5695 58.9200 39.2893 175.2231 77 P 4.3803 0.0000 0.0000 64.9722 31.2113 176.8488 78 G 3.7697 7.1379 110.2640 43.4548 0.0000 171.9019 *79 F 4.2445 7.6036 115.6344 55.8575 41.2243 173.7297 80 E 4.1813 8.5743 128.4954 55.2745 30.0362 177.5730 81 A 4.3289 8.6992 128.4606 54.2331 19.4255 177.2191 82 D 4.8886 7.6644 114.3055 51.9531 41.2078 173.6038 83 P 5.0404 0.0000 0.0000 62.6429 32.6342 178.4893 84 Q 4.1062 8.5603 118.1706 57.3541 28.5755 177.1142 85 D 4.6340 7.7719 114.2828 51.9381 42.6729 174.9444 86 A 4.2396 8.5323 128.8318 54.8787 18.6203 178.8251 87 A 4.0150 8.1633 118.7015 55.2376 18.5653 179.5067 88 A 3.9471 8.2614 118.7175 55.2571 18.3951 179.7626 89 A 3.8912 8.2089 119.3218 55.1313 18.4905 179.5583 90 L 3.5255 8.3459 119.1328 58.1885 42.1735 179.0277 91 E 3.9570 8.2439 118.4348 59.5247 29.4412 179.5816 92 R 3.8213 7.8151 117.9215 59.2120 30.1103 179.1597 93 I 3.3478 7.5732 119.5811 64.3159 36.9632 178.7262 94 V 3.5414 7.7497 118.9964 65.9822 31.3146 177.2763 95 Y 3.9504 8.0204 119.3056 60.9379 38.4747 178.0008 96 D 4.3043 8.2806 119.6696 57.3581 41.0090 178.8778 97 I 3.6536 7.8483 120.1348 64.1736 37.1010 178.2509 98 A 3.8560 8.0864 121.8821 55.3524 17.9652 179.6908 99 Q 3.5984 7.5864 115.0090 58.9203 28.7411 178.7178 100 A 3.9838 7.4024 121.0477 54.0352 18.5870 179.0090 101 V 4.1852 7.3549 107.2777 61.0219 32.9375 176.3629 102 L 4.5731 7.3329 118.6032 54.0538 42.3687 176.5523 103 S 4.7319 7.2660 116.5493 57.0961 65.0394 174.7630 104 R 3.8142 8.2453 121.3036 59.6432 29.7922 178.2431 105 E 3.9395 7.9136 117.5948 59.2836 29.5385 179.0589 106 A 3.7347 7.4170 120.7658 55.0833 18.3210 179.9337 107 V 3.7035 7.9686 117.0432 66.0630 31.3503 178.0879 108 S 4.1501 8.1681 112.4915 61.3506 62.2595 175.6961 109 L 4.1928 7.8830 122.0100 57.9621 42.1304 178.3071 110 F 4.3620 8.4430 120.7425 61.1739 39.4865 178.5306 111 R 3.8907 8.3123 117.4640 56.5197 29.4477 178.0611 *113 L 4.1071 8.0024 118.6101 54.1350 43.5829 179.1784 114 A 3.7844 7.7721 120.7099 54.7056 18.2579 178.4015 115 S 4.3292 7.5698 109.7947 59.4894 63.6629 174.4917 116 D 4.4159 7.7943 119.2632 51.6193 43.4901 175.0451 117 A 3.9476 8.6071 130.2965 55.2005 18.4049 178.4875 118 D 4.1432 8.0366 116.0963 57.4786 41.3638 178.3083 119 L 3.5091 7.9797 119.5163 57.5263 41.4537 179.7010 120 R 3.8468 7.9621 118.0349 59.3072 29.8224 178.4722 121 N 4.2302 7.9783 115.5303 56.8472 38.9203 176.7699 122 R 4.0562 7.6711 118.3844 58.4483 30.5729 177.9959 123 F 5.1037 8.2922 115.7409 57.3830 40.3925 177.5196 124 L 4.0904 8.2411 121.2229 57.8233 41.9041 176.9233 125 P 4.2980 0.0000 0.0000 65.7766 30.9496 178.4595 126 A 4.0467 8.0563 118.9588 55.0918 18.2658 178.8783 127 Y 4.0133 8.2892 118.1541 60.8985 38.7252 177.8651 128 N 4.3642 8.6766 116.7917 56.7513 39.2067 176.4851 129 A 4.3792 7.9475 122.1675 53.6410 18.5942 178.2608 130 N 4.7953 7.6971 112.1358 52.8036 40.1207 176.4683 131 G 4.0226 7.7865 105.0739 44.1300 0.0000 175.9773 132 I 3.6484 8.4683 124.7416 64.0247 37.3647 176.4300 133 E 3.9179 8.1745 119.4369 59.4892 29.3769 179.0286 134 R 3.9782 8.0662 117.8280 59.3914 30.1203 179.2445 135 S 4.1327 7.9895 114.5025 61.4909 62.8385 176.5149 136 R 3.9002 8.5431 121.8166 59.4171 29.8120 178.6128 137 R 3.8621 7.9458 118.5089 59.4115 30.0759 178.3812 138 E 3.6216 8.0423 118.4560 59.0761 29.2730 179.1304 139 L 4.1106 8.1472 120.6071 57.9944 42.1028 178.6630 140 A 4.0623 8.3955 121.2214 55.3620 18.2990 179.7997 141 R 3.8560 7.9724 116.4029 59.1312 30.1753 179.1412 142 W 4.3649 8.1792 129.3827 60.0725 30.7730 177.9333 143 L 4.0309 8.8067 119.4084 57.9299 40.9673 179.0723 144 D 4.2877 8.4470 118.2035 57.3429 40.6636 178.3250 145 Q 3.8744 7.9735 118.5963 59.1375 28.7310 178.8746 146 Q 3.7777 7.7756 118.6698 58.3536 28.5621 178.6520 147 A 4.2476 7.9036 123.4861 54.7679 18.2879 179.8679 148 S 4.0420 8.1157 112.5178 61.2169 62.9612 175.8828 149 A 4.3613 7.6832 120.5270 51.5341 18.7752 178.1405 150 G 3.8762 7.8856 105.5729 45.7429 0.0000 175.3081 151 R 4.1291 7.9060 119.4817 58.4236 30.5004 177.2788 152 L 4.7037 7.2895 117.0058 52.0412 42.8185 173.1833 153 P 4.4305 0.0000 0.0000 62.3499 32.3437 176.0664 154 L 4.8769 8.0802 120.3921 52.5116 45.0763 175.0552 155 P 4.5530 0.0000 0.0000 63.4350 32.0645 175.1562 156 I 4.7303 7.1798 110.9968 57.3849 41.0749 173.4159 157 P 4.3798 0.0000 0.0000 62.3417 32.9209 177.3735 158 A 4.0413 8.6341 122.5916 55.6746 18.3734 180.1307 159 E 3.9320 8.1611 116.3869 59.5684 29.4713 179.7313 160 R 3.9339 7.8895 117.6790 59.1870 30.1887 179.0032 161 V 3.5756 7.8702 117.8812 65.8867 31.5319 177.8007 162 A 4.0253 8.3431 120.8318 55.2184 18.2108 179.0963 163 D 4.2691 8.0160 116.1589 57.6596 41.3312 178.5555 164 L 4.0216 8.1716 119.6857 57.5176 41.4861 179.3542 165 L 3.9621 8.2870 120.6852 58.2690 42.0418 179.1032 166 L 3.9922 8.0834 118.9348 57.5346 40.9788 179.5241 167 S 4.0366 8.3031 113.1540 61.2278 62.1634 176.0238 168 A 3.9935 7.9084 122.1494 55.3132 18.2777 179.3685 169 V 3.8523 7.9429 115.2433 64.7224 31.9188 177.0207 170 I 4.2692 7.9234 117.9631 62.9003 38.6759 177.8772 171 A 3.9142 7.8492 120.8290 54.7202 18.1862 179.2358 172 E 3.8073 7.8891 117.4349 59.2163 29.7751 177.1936 173 P 4.9509 0.0000 0.0000 64.8328 31.2745 178.2233 174 L 3.9014 8.0813 119.4221 58.1080 41.9409 178.9378 175 R 3.9291 7.8981 118.4792 59.6603 30.1492 178.4465 176 Q 3.9840 8.1169 117.6457 59.1383 28.7143 179.0220 177 I 4.3125 8.1196 122.4795 64.0615 36.9298 178.3295 178 T 3.9980 7.9793 115.9159 66.9449 68.5428 175.9874 179 L 4.3025 7.8545 117.5599 55.1246 41.9074 178.1646 180 G 3.9901 7.8667 107.1392 45.4060 0.0000 174.6951 181 L 4.1029 7.7959 120.5527 56.9798 41.9821 177.5851 182 R 4.6007 7.4511 115.2979 54.1249 34.0816 174.3330 183 E 4.6002 8.5529 119.2267 55.0518 30.7754 175.2165 184 P 4.5133 0.0000 0.0000 62.1765 31.9407 176.4706 185 L 4.0103 8.0581 121.1629 54.6436 41.6740 175.7421 186 P 4.3169 0.0000 0.0000 62.6537 31.9128 177.8536 187 A 4.2313 7.8101 125.1433 55.0049 18.5032 178.5322 188 W 5.1050 6.9302 111.3572 54.4776 31.2536 174.4169 189 D 4.5356 8.8848 119.2577 53.7280 40.8006 176.4370 190 I 4.2786 7.9869 125.5817 61.3628 38.1563 176.6912 191 A 4.1524 8.4321 121.8940 55.6930 18.1354 177.9238 192 P 4.2168 0.0000 0.0000 65.6500 31.4160 178.7838 193 R 3.9231 8.0798 117.1585 59.3505 30.0429 178.5562 194 V 3.5925 8.0183 117.8453 65.9337 31.5751 177.8930 195 A 4.0873 8.3222 120.7355 55.3208 18.0324 179.3092 196 D 4.3203 8.1997 116.2023 57.4783 41.0617 178.6161 197 A 4.1518 8.2064 121.3078 55.2866 18.4372 179.9337 198 V 3.6026 8.0888 116.7964 65.8954 31.3211 178.2566 199 R 3.9709 8.1793 118.6680 59.1433 29.6532 178.4193 200 L 4.1003 7.5816 118.2080 57.6338 41.6490 177.8290 201 I 3.9457 7.2153 116.7534 62.8225 36.9076 175.6678 202 A 4.1970 7.7934 130.3927 52.8021 18.2793 177.6703 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 10 P 0.00 4.32 0.00 2.20 2.18 0.00 3.74 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 1.89 1.98 0.00 11 A 8.25 4.04 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 12 V 8.89 3.79 2.10 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 0.84 0.00 0.00 0.94 0.00 0.00 13 P 0.00 4.50 0.00 2.24 1.98 0.00 3.68 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 2.12 2.12 0.00 14 D 8.86 4.63 0.00 2.78 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 15 A 8.13 4.06 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 16 V 7.79 3.48 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 0.97 0.00 0.00 0.93 0.00 0.00 17 V 7.64 3.44 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 0.49 0.00 0.00 0.90 0.00 0.00 18 R 7.78 3.35 0.00 2.05 2.01 0.00 3.20 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 19 E 8.16 3.91 0.00 2.26 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 2.32 2.30 0.00 20 S 7.66 4.06 0.00 3.76 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 21 I 7.65 3.58 1.79 0.00 0.00 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 1.35 0.40 0.79 0.00 0.00 22 V 7.87 3.63 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 0.79 0.00 0.00 0.94 0.00 0.00 23 G 8.18 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 24 A 8.12 3.96 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 25 A 8.18 3.88 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 26 Q 8.14 3.96 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 27 R 8.20 3.95 0.00 2.03 1.97 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 1.66 1.90 0.00 28 L 8.04 4.03 0.00 1.83 1.72 1.01 0.50 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 29 L 8.05 4.17 0.00 1.91 1.77 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.37 4.27 0.00 3.84 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 31 S 7.81 4.66 0.00 4.06 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 32 G 8.02 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 33 G 8.31 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.72 4.06 1.45 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 0.00 0.00 0.00 35 A 7.98 4.05 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 36 A 7.54 4.38 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 *38 T 6.96 4.31 4.27 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 1.27 0.00 0.00 *40 E 8.85 4.30 0.00 2.10 2.05 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 2.30 2.35 0.00 41 G 8.41 3.62 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 0.00 0.00 0.00 42 V 8.24 3.57 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 1.01 0.00 0.00 0.95 0.00 0.00 43 A 7.95 3.97 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 44 S 8.15 4.01 0.00 3.93 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 45 E 8.40 3.94 0.00 1.98 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 2.31 2.35 0.00 46 A 8.35 4.17 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 47 G 7.81 3.77 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 0.00 0.00 0.00 48 I 7.71 4.64 1.87 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 1.20 0.78 0.92 0.00 0.00 49 A 8.29 4.19 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 50 K 8.73 3.96 0.00 1.91 1.88 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.67 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.79 7.81 51 K 8.06 4.08 0.00 1.97 1.95 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.58 7.81 52 T 7.81 4.19 4.47 0.00 0.00 0.00 0.00 0.00 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 53 L 8.21 4.03 0.00 1.77 1.93 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.15 4.76 0.00 3.06 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 55 R 7.95 4.05 0.00 1.88 1.62 0.00 3.14 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.87 0.00 56 F 8.31 4.50 0.00 3.02 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 57 A 7.30 4.62 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 0.00 0.00 0.00 0.00 0.00 58 S 9.01 4.53 0.00 3.98 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 59 G 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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 0.00 127 Y 8.29 4.01 0.00 3.20 3.29 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 0.00 128 N 8.68 4.36 0.00 2.93 3.08 0.00 0.00 7.28 7.99 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 0.00 129 A 7.95 4.38 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 0.00 130 N 7.70 4.80 0.00 2.76 2.75 0.00 0.00 6.84 7.32 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 0.00 131 G 7.79 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 0.00 0.00 0.00 132 I 8.47 3.65 1.83 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 1.50 0.72 0.87 0.00 0.00 133 E 8.17 3.92 0.00 2.06 2.10 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 2.36 2.40 0.00 134 R 8.07 3.98 0.00 2.03 1.92 0.00 3.20 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 135 S 7.99 4.13 0.00 4.04 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 0.00 136 R 8.54 3.90 0.00 1.93 2.07 0.00 3.10 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 1.63 1.65 0.00 137 R 7.95 3.86 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 138 E 8.04 3.62 0.00 1.28 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 2.04 2.10 0.00 139 L 8.15 4.11 0.00 1.97 1.92 1.09 1.10 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 0.00 140 A 8.40 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 R 7.97 3.86 0.00 2.05 2.01 0.00 3.12 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 142 W 8.18 4.36 0.00 3.57 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 0.00 143 L 8.81 4.03 0.00 1.95 1.78 1.04 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.45 4.29 0.00 2.90 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 0.00 145 Q 7.97 3.87 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 146 Q 7.78 3.78 0.00 1.70 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 147 A 7.90 4.25 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 0.00 148 S 8.12 4.04 0.00 3.83 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 0.00 149 A 7.68 4.36 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 0.00 150 G 7.89 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 0.00 151 R 7.91 4.13 0.00 1.81 1.94 0.00 3.09 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 152 L 7.29 4.70 0.00 1.55 1.52 1.07 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.43 0.00 2.03 1.97 0.00 3.61 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 2.02 2.09 0.00 154 L 8.08 4.88 0.00 1.58 1.53 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 155 P 0.00 4.55 0.00 2.18 2.17 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 156 I 7.18 4.73 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.92 0.00 0.00 157 P 0.00 4.38 0.00 2.18 2.02 0.00 3.62 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 2.12 2.15 0.00 158 A 8.63 4.04 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 0.00 159 E 8.16 3.93 0.00 2.12 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 0.00 2.40 1.97 0.00 160 R 7.89 3.93 0.00 1.96 1.99 0.00 3.31 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 161 V 7.87 3.58 2.25 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 1.15 0.00 0.00 0.99 0.00 0.00 162 A 8.34 4.03 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 0.00 163 D 8.02 4.27 0.00 2.87 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 0.00 164 L 8.17 4.02 0.00 1.74 1.72 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.29 3.96 0.00 1.86 1.77 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.08 3.99 0.00 1.76 1.71 0.95 0.63 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 0.00 167 S 8.30 4.04 0.00 4.01 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 0.00 168 A 7.91 3.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.94 3.85 2.10 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 0.89 0.00 0.00 1.00 0.00 0.00 170 I 7.92 4.27 2.03 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 1.40 0.54 0.86 0.00 0.00 171 A 7.85 3.91 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 0.00 172 E 7.89 3.81 0.00 2.12 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 2.31 2.40 0.00 173 P 0.00 4.95 0.00 2.35 2.59 0.00 4.05 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 2.54 2.20 0.00 174 L 8.08 3.90 0.00 1.71 1.75 0.72 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 175 R 7.90 3.93 0.00 1.96 2.13 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 176 Q 8.12 3.98 0.00 2.31 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 177 I 8.12 4.31 1.95 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 1.02 0.00 0.00 178 T 7.98 4.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 179 L 7.85 4.30 0.00 1.65 1.73 0.94 1.07 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 0.00 180 G 7.87 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.80 4.10 0.00 1.76 1.68 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 182 R 7.45 4.60 0.00 1.73 1.44 0.00 2.21 0.00 0.00 2.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.27 0.00 183 E 8.55 4.60 0.00 2.14 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 2.35 2.33 0.00 184 P 0.00 4.51 0.00 2.14 1.89 0.00 3.64 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 185 L 8.06 4.01 0.00 1.40 1.34 0.38 -0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 186 P 0.00 4.32 0.00 2.11 2.22 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 187 A 7.81 4.23 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 W 6.93 5.11 0.00 3.64 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 0.00 189 D 8.88 4.54 0.00 2.72 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 0.00 190 I 7.99 4.28 1.17 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.37 0.58 0.00 0.00 191 A 8.43 4.15 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 0.00 192 P 0.00 4.22 0.00 2.25 2.16 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 193 R 8.08 3.92 0.00 2.02 2.18 0.00 3.32 0.00 0.00 3.54 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 194 V 8.02 3.59 2.29 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 1.04 0.00 0.00 1.07 0.00 0.00 195 A 8.32 4.09 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 0.00 196 D 8.20 4.32 0.00 2.80 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 0.00 197 A 8.21 4.15 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 V 8.09 3.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.03 0.00 0.00 199 R 8.18 3.97 0.00 2.12 2.06 0.00 3.16 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 200 L 7.58 4.10 0.00 1.82 1.73 0.94 0.84 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 0.00 201 I 7.22 3.95 2.08 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 1.69 0.81 0.96 0.00 0.00 202 A 7.79 4.20 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 * Residues marked with a * may have inaccurate shift predictions.