NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3613 8.2649 123.5880 51.4237 19.9675 176.4399 2 R 3.9329 8.3680 118.7642 54.5257 30.5880 175.6919 3 S 4.4953 8.8884 118.1338 57.5917 65.3924 173.8231 4 A 4.0959 8.5163 124.6651 55.7214 18.7161 179.7355 5 Y 4.2139 7.8278 113.5238 61.4159 38.0251 178.5962 6 S 4.4066 8.6698 115.5066 62.1453 62.5124 176.3542 7 Y 4.0615 8.2570 119.5340 60.5393 37.6324 178.0866 8 I 3.8834 8.4598 121.4087 64.3494 37.1651 178.0974 9 R 4.0236 8.1769 119.1018 59.8608 29.6610 177.8877 10 D 4.3299 8.0962 115.7567 57.0085 40.8768 177.7877 11 A 4.1479 7.8453 121.5763 54.8627 18.2938 179.1017 12 W 4.2208 8.2299 114.3876 57.9733 29.3657 178.4300 13 K 4.3436 7.7398 118.8574 58.1066 33.0114 176.8570 14 N 5.0024 7.7652 115.5172 50.3426 38.8390 173.1380 15 P 4.0148 0.0000 0.0000 63.9759 31.6765 178.0065 16 G 3.9774 7.8344 106.5726 45.4093 0.0000 172.7005 17 D 4.8908 7.6289 118.9053 52.7363 44.7882 177.8248 18 G 3.8109 8.3777 108.1031 46.1432 0.0000 174.5146 19 Q 3.9188 8.6235 116.4959 59.0948 28.7441 178.1546 20 L 3.7571 7.9097 120.5121 57.9688 41.8797 178.6643 21 A 3.8670 7.6347 120.2584 55.2755 18.2712 179.3118 22 E 3.9196 7.9887 117.1632 59.1724 29.7483 178.4875 23 L 3.9345 8.4650 119.4558 57.9989 41.6917 179.6797 24 Q 3.6340 8.3223 118.0339 58.7078 28.4849 178.2855 25 W 4.1877 7.8717 127.8869 61.2744 30.9575 177.4505 26 Q 3.8534 8.6405 118.2052 58.1173 28.1837 178.3017 27 R 3.3291 8.1072 118.4322 59.7754 30.2322 178.8573 28 Q 3.3413 7.1422 117.0418 59.1543 28.4866 179.9939 29 Q 3.8359 7.2242 117.7307 59.0811 29.0433 178.5911 30 E 4.1218 8.3627 119.7680 59.0315 29.4466 179.2822 31 W 4.5005 7.8105 118.5819 59.9588 28.8805 178.4870 32 R 4.3650 8.6729 116.7660 58.3328 29.5425 177.6578 33 N 4.8708 7.9075 114.5633 52.2382 39.1455 174.3492 34 E 4.6177 7.8584 121.1939 54.3850 31.9571 177.2312 35 G 3.8991 8.2731 108.6925 45.8553 0.0000 173.0979 36 A 4.3830 8.5963 119.2358 53.4136 20.7280 177.7139 37 V 4.3231 7.6971 114.1605 61.9407 33.8706 174.0689 38 E 4.6741 8.9384 128.8871 54.2025 31.4133 176.0117 39 R 4.6398 8.8341 125.9521 56.3518 30.9769 175.5356 40 I 4.7130 8.6498 118.3866 59.1379 40.0724 175.5862 41 E 4.2027 8.9945 123.2446 58.8349 29.7980 177.7652 42 R 4.6830 7.5748 115.7014 53.3378 33.1292 173.1309 43 P 4.3392 0.0000 0.0000 63.0854 31.8428 177.7519 44 T 4.2610 9.6508 119.2179 65.7987 68.8794 175.4645 45 R 4.3521 7.1110 117.6901 52.4926 30.5560 175.0913 46 L 3.7798 8.2655 123.8134 58.1178 42.3043 177.5871 47 D 4.2349 8.1729 118.2078 56.5740 39.1354 178.4696 48 K 3.6830 7.6409 120.4942 58.8006 32.2074 178.1939 49 A 3.8608 7.6874 121.2847 55.2747 18.2921 179.5398 50 R 4.1242 8.3026 116.2712 59.7022 29.9709 179.3074 51 S 4.0598 7.7404 111.7884 61.2941 62.5167 175.5926 52 Q 4.2888 7.8544 118.1779 56.1978 28.7928 175.6339 53 G 3.6507 7.7390 108.3493 45.3440 0.0000 173.8448 54 Y 4.2904 7.5855 121.6250 58.2329 39.2723 175.5656 55 K 3.9558 5.9726 117.8698 55.5477 36.2325 176.6245 56 A 4.1051 8.1681 127.5697 51.0911 16.5178 176.0906 57 K 4.5794 6.9532 123.3712 53.2298 36.1900 175.0151 58 Q 4.1619 8.2888 122.0708 56.8601 29.1100 176.6983 59 G 3.8905 8.9075 109.9231 44.8387 0.0000 172.4906 60 V 4.6116 7.1313 119.5039 61.3020 32.6474 174.9471 61 I 4.6295 8.8690 129.0133 59.4672 40.7528 174.9069 62 V 4.8710 8.1040 123.0807 61.1948 35.0509 174.0051 63 A 5.0667 8.8009 128.1827 50.2757 23.0533 174.4999 64 R 4.6745 8.9525 122.5207 54.9092 32.0927 175.2892 65 V 5.6183 8.9931 125.8441 60.1323 34.8069 174.1306 66 S 5.1380 8.6833 120.9445 56.6642 65.5100 173.4213 67 V 4.5392 8.1956 121.0417 60.8067 35.1620 174.3964 68 R 4.3468 8.5774 123.6350 56.5937 29.7965 176.5347 69 K 4.1227 8.2632 121.7622 56.6692 33.4254 177.0046 70 G 3.7640 8.6268 107.9901 44.2517 0.0000 172.3274 71 S 4.6038 8.0286 113.1058 57.2116 65.0202 173.6604 72 A 4.0494 7.7909 121.3150 52.7564 18.7796 178.6142 73 R 4.3433 8.5643 120.8692 54.7010 29.9284 175.4087 74 K 4.5892 8.3106 123.9699 54.1550 34.8857 175.6732 75 R 4.3467 8.2757 123.9087 55.0944 31.1939 176.6049 76 R 4.1621 8.2936 122.4053 55.7826 30.9860 175.8782 77 H 4.3565 8.7635 117.2911 56.1347 29.5490 176.1476 *78 K 4.2479 8.1720 121.2455 54.2460 33.6993 175.3187 79 A 5.0638 7.9231 124.4349 50.5050 21.4354 176.1493 80 G 3.7934 8.5338 103.9823 46.2387 0.0000 173.3337 81 R 4.6394 8.0050 121.1348 54.3248 34.4023 175.1260 82 R 4.2962 8.3491 117.2236 55.1360 30.6692 177.5523 83 S 3.9916 8.6882 114.2374 61.5402 63.0027 176.1546 84 K 4.0308 8.1709 121.1070 59.4191 32.0043 177.6702 85 R 4.5074 8.0207 115.2125 56.3327 29.8946 177.1229 86 Q 4.2299 7.9000 116.2484 55.8071 29.4685 176.3015 87 G 3.8749 7.7206 106.9320 46.1508 0.0000 172.4657 88 V 4.5406 7.9140 117.2075 64.4930 37.1972 176.9410 89 T 4.0558 7.9602 115.6895 65.6852 68.4559 175.1699 90 R 4.5215 7.6867 117.4949 55.8147 31.7836 176.3932 91 I 3.8450 7.3448 119.6213 61.5141 37.5787 175.1739 92 T 4.9554 8.0537 113.7923 59.4564 71.5756 173.9845 93 R 4.1866 8.3120 121.6768 56.4403 30.7226 177.1139 94 R 4.1959 8.3663 117.6458 57.0567 30.7501 176.6687 95 K 4.4552 7.7358 119.4310 54.4674 33.7175 175.5571 96 D 4.7007 8.3259 125.1124 52.5581 40.7986 177.1266 97 I 3.6584 8.3769 121.2128 64.8281 37.0888 178.3631 98 Q 3.4331 7.9579 119.7664 58.9503 28.8824 178.2868 99 R 3.8508 7.8984 119.8869 59.1444 30.1564 178.5281 100 V 3.5647 7.6536 117.4276 65.9284 31.4877 177.6875 101 A 3.9583 8.1421 120.5733 55.2032 18.1490 179.2447 102 E 3.8305 7.9408 116.8015 59.7095 29.4878 179.6414 103 E 3.7332 7.9432 117.7950 59.5035 29.3590 179.5510 104 R 3.9616 7.9072 116.5342 59.2794 30.3626 178.6727 105 A 4.2074 8.2722 120.6638 55.3445 18.3597 179.3721 106 S 4.1790 8.4950 111.3617 61.7873 62.0975 176.9204 107 R 4.1238 8.1876 119.9702 59.6992 29.9217 178.8181 108 T 3.8172 7.8894 114.3541 65.1144 69.8534 174.9547 109 F 4.9095 7.5748 119.4162 55.4224 38.7853 174.3893 110 P 4.3555 0.0000 0.0000 65.7538 31.6736 177.8393 111 N 4.5334 8.1051 114.6589 54.2587 37.9651 175.2108 112 L 4.5618 8.0270 119.0487 54.0771 42.9391 175.8799 113 R 4.6876 8.3416 117.6833 54.2169 34.1061 175.5238 114 V 3.8992 8.4787 123.5287 63.3526 31.6894 174.7594 115 L 4.6153 8.2982 129.1840 56.2347 44.1056 175.2680 116 N 4.5372 7.7952 114.8490 53.6400 42.2327 172.8862 117 S 5.1325 8.2922 114.7815 57.2830 66.1957 173.1308 118 Y 4.9683 8.0313 118.6527 55.3036 41.6201 174.3152 119 S 4.6343 8.8059 115.2866 57.7064 63.6868 173.8910 120 V 4.3630 8.6619 118.3607 61.1217 32.8582 176.0964 121 G 4.2145 9.4987 107.3448 45.8398 0.0000 172.8665 122 Q 5.1174 8.1366 113.4717 55.9653 30.6828 173.2655 123 D 5.3563 8.3517 119.8046 52.1520 41.5065 176.3073 124 G 3.7871 8.7931 106.5393 48.1452 0.0000 174.0534 125 R 4.7772 8.8513 115.2269 55.3528 31.6796 174.4573 126 Q 4.8190 7.6661 116.4530 55.7527 31.8861 172.8238 127 K 4.7907 8.6262 118.5819 54.3168 36.5200 175.4912 128 W 5.3589 8.9572 122.3045 55.3834 32.4852 174.4731 129 H 5.0864 9.0189 119.6608 54.1692 33.0725 172.0375 130 E 4.6414 8.4138 122.0855 54.7451 31.5564 175.0862 131 V 4.6664 8.7127 124.0628 61.1004 34.6143 174.1678 132 I 4.7577 8.7820 128.7669 60.0309 38.7901 174.7768 133 L 5.1657 9.0804 127.1581 52.8760 45.4871 175.6078 134 I 4.8906 8.3508 121.2741 59.5277 41.2675 174.4637 135 D 4.8345 9.0285 127.1181 52.5618 41.4140 174.9957 136 P 4.4485 0.0000 0.0000 63.9528 31.5923 176.4997 137 N 4.7327 8.8146 116.0213 53.3211 39.5035 173.7481 138 H 4.6386 7.8319 120.6176 53.8543 31.0577 174.0963 139 P 4.7425 0.0000 0.0000 65.2802 30.7342 178.2793 140 A 4.0652 8.4706 119.2302 54.2981 18.4902 178.3715 141 I 4.1196 8.0258 118.1063 62.9787 38.1860 178.0647 142 Q 4.0610 7.9676 117.9354 58.2091 28.7832 177.5383 143 N 4.5961 7.7476 113.6335 53.6188 39.8153 175.1037 144 D 4.3863 7.7447 119.4348 54.3444 41.5192 176.6543 145 D 4.5860 8.7490 125.7785 56.2059 41.1324 176.4701 146 D 5.0513 9.3640 118.4082 54.0913 41.9786 176.5179 147 L 4.5714 7.6819 116.7968 53.8974 44.6229 178.0280 148 S 4.2542 8.1492 114.1493 59.9896 63.0604 176.5301 149 W 4.2268 7.9445 118.7277 59.3598 28.1595 177.2997 150 I 3.4956 6.1513 116.3548 61.4245 36.9122 175.7134 151 C 4.2830 7.4346 115.9047 60.7979 29.0284 174.2521 152 A 4.1823 7.5918 123.6085 51.9029 18.8520 177.8042 153 D 4.4103 9.0763 121.8541 57.7264 40.8873 178.9532 154 D 4.5297 8.1241 114.6578 55.0837 39.3640 176.4928 155 Q 4.3759 8.5290 119.2626 55.8994 29.2735 175.3078 156 A 4.1923 8.1515 123.2960 53.4159 18.8744 177.0903 157 D 4.6577 9.0503 121.9330 54.9384 39.1336 176.0311 158 R 3.9843 7.8588 118.5080 59.8980 29.0741 178.1651 159 V 3.5394 7.6128 119.0632 64.4559 31.1024 177.7287 160 F 4.6368 7.7620 115.9863 58.6394 38.7659 176.0385 161 R 4.5378 7.5077 116.3597 55.5702 30.6676 175.9214 162 G 3.9140 7.9900 104.8083 46.6289 0.0000 175.2322 163 L 4.2401 7.9009 118.6003 55.6810 42.2194 178.1781 164 T 4.3293 7.6226 116.2543 62.8038 70.5069 175.3192 165 G 3.6691 8.5750 108.7786 48.0794 0.0000 175.9403 166 A 4.1503 8.0224 122.7836 54.6804 18.4708 179.5614 167 G 3.5449 7.9141 103.9696 48.1270 0.0000 175.7576 168 R 3.9484 8.5543 121.5088 58.5437 30.1717 179.1951 169 R 3.8311 8.0985 118.2652 59.6253 29.9484 178.0405 170 N 4.3679 8.2220 115.5920 56.6549 38.8640 176.0337 171 R 4.3704 7.8861 116.8522 55.5017 30.1407 176.4071 172 G 3.9145 7.9290 106.2784 46.9836 0.0000 174.8636 173 L 4.4915 7.5980 117.1995 54.2351 42.3690 178.2299 174 S 4.2371 8.2459 115.7340 61.5787 62.9107 175.2734 175 G 3.7735 7.8398 107.7784 45.5072 0.0000 173.4653 176 K 4.5053 8.5858 120.5096 56.2153 34.7155 176.9141 177 G 4.1049 7.3027 106.4140 44.6958 0.0000 176.1291 178 K 3.9582 8.9791 122.8527 57.7197 32.2094 176.3194 179 G 4.0691 8.8380 113.2179 45.4230 0.0000 174.1852 180 S 4.8160 7.5819 114.2321 58.0106 63.4272 176.4080 181 E 4.1385 8.3628 122.8830 59.5391 29.4680 178.0197 182 K 4.8113 8.0201 116.3524 56.1684 33.1004 176.1714 183 T 4.3701 8.0191 109.9123 62.9345 70.5050 174.1107 184 R 4.3837 7.2984 120.3110 54.3494 30.8000 174.3468 185 P 4.5387 0.0000 0.0000 64.0613 32.5137 176.6355 186 S 4.6057 7.4021 112.4374 56.2324 67.1169 175.8392 187 L 4.0658 8.3960 124.5779 57.9626 41.4865 179.7349 188 R 3.8931 7.9748 118.2938 59.5273 29.9560 178.4756 189 S 4.3416 7.9653 111.7230 60.3547 62.8518 174.7908 190 N 4.9212 7.3762 118.3790 52.8216 39.1258 175.5334 191 G 3.7453 8.1900 107.1606 45.3084 0.0000 174.8355 192 G 3.9126 8.0093 106.1407 46.9854 0.0000 174.4391 193 K 4.5208 7.7352 112.0939 55.7848 34.2504 177.3829 194 G 3.7425 8.0514 113.5682 45.8067 0.0000 173.8419 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 A 8.26 4.36 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 2 R 8.37 3.93 0.00 2.09 1.94 0.00 3.10 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 3 S 8.89 4.50 0.00 4.28 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 4 A 8.52 4.10 1.01 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 0.00 0.00 5 Y 7.83 4.21 0.00 3.15 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 6 S 8.67 4.41 0.00 3.97 4.23 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 7 Y 8.26 4.06 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 8 I 8.46 3.88 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.98 1.14 0.00 0.00 9 R 8.18 4.02 0.00 2.14 2.17 0.00 3.19 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 1.74 1.74 0.00 10 D 8.10 4.33 0.00 2.83 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 11 A 7.85 4.15 1.47 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 0.00 0.00 0.00 12 W 8.23 4.22 0.00 3.32 3.36 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 13 K 7.74 4.34 0.00 1.85 1.92 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.81 7.81 14 N 7.77 5.00 0.00 2.70 2.79 0.00 0.00 6.60 7.91 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 15 P 0.00 4.01 0.00 2.04 1.96 0.00 3.76 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 16 G 7.83 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 17 D 7.63 4.89 0.00 2.62 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 18 G 8.38 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.62 3.92 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 20 L 7.91 3.76 0.00 1.47 1.38 0.44 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.63 3.87 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 22 E 7.99 3.92 0.00 1.97 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 2.42 2.31 0.00 23 L 8.47 3.93 0.00 1.86 1.63 0.94 1.16 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 24 Q 8.32 3.63 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 25 W 7.87 4.19 0.00 3.29 3.38 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 26 Q 8.64 3.85 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.42 0.00 0.00 0.00 0.00 0.00 2.56 2.83 0.00 27 R 8.11 3.33 0.00 0.96 0.66 0.00 2.75 0.00 0.00 2.87 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 28 Q 7.14 3.34 0.00 1.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.79 0.00 0.00 0.00 0.00 0.00 1.65 2.33 0.00 29 Q 7.22 3.84 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 30 E 8.36 4.12 0.00 2.02 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 2.30 2.25 0.00 31 W 7.81 4.50 0.00 2.91 2.44 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 32 R 8.67 4.37 0.00 1.97 2.14 0.00 3.22 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 33 N 7.91 4.87 0.00 2.88 2.87 0.00 0.00 6.91 7.03 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 34 E 7.86 4.62 0.00 2.11 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 2.53 0.00 35 G 8.27 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 36 A 8.60 4.38 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 37 V 7.70 4.32 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 0.94 0.00 0.00 0.95 0.00 0.00 38 E 8.94 4.67 0.00 1.87 1.84 0.00 0.00 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0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.17 4.23 0.00 2.93 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.64 3.68 0.00 1.46 1.11 0.00 1.48 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.02 1.14 7.81 49 A 7.69 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.30 4.12 0.00 1.63 1.89 0.00 3.26 0.00 0.00 2.61 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.89 0.00 51 S 7.74 4.06 0.00 3.89 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 52 Q 7.85 4.29 0.00 2.34 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.36 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 53 G 7.74 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.59 4.29 0.00 2.90 2.99 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 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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 64 R 8.95 4.67 0.00 1.54 1.52 0.00 2.21 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.09 0.00 65 V 8.99 5.62 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 0.82 0.00 0.00 0.98 0.00 0.00 66 S 8.68 5.14 0.00 3.43 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 67 V 8.20 4.54 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 1.00 0.00 0.00 0.88 0.00 0.00 68 R 8.58 4.35 0.00 1.80 1.87 0.00 3.21 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 69 K 8.26 4.12 0.00 1.65 1.77 0.00 1.85 0.00 0.00 1.84 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.30 7.81 70 G 8.63 3.76 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 0.00 0.00 0.00 71 S 8.03 4.60 0.00 4.06 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.70 0.00 3.17 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 114 V 8.48 3.90 2.00 0.00 0.00 0.00 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 0.80 0.00 0.00 115 L 8.30 4.62 0.00 1.63 1.79 1.05 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 116 N 7.80 4.54 0.00 2.83 2.88 0.00 0.00 6.70 7.63 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 0.00 117 S 8.29 5.13 0.00 3.92 3.69 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 0.00 118 Y 8.03 4.97 0.00 3.01 2.99 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 0.00 119 S 8.81 4.63 0.00 3.90 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 0.00 120 V 8.66 4.36 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 0.71 0.00 0.00 0.93 0.00 0.00 121 G 9.50 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.14 5.12 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 123 D 8.35 5.36 0.00 2.94 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 0.00 124 G 8.79 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.85 4.78 0.00 1.76 2.08 0.00 2.80 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 126 Q 7.67 4.82 0.00 1.76 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.87 0.00 0.00 0.00 0.00 0.00 2.18 1.16 0.00 127 K 8.63 4.79 0.00 1.60 1.66 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.32 7.81 128 W 8.96 5.36 0.00 3.35 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.02 5.09 0.00 3.01 3.05 0.00 5.79 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.41 4.64 0.00 1.16 1.20 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 2.02 1.92 0.00 131 V 8.71 4.67 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.83 0.00 0.00 132 I 8.78 4.76 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.56 1.02 0.00 0.00 133 L 9.08 5.17 0.00 1.24 1.35 0.66 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 0.00 134 I 8.35 4.89 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.91 0.74 0.00 0.00 135 D 9.03 4.83 0.00 2.67 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 0.00 136 P 0.00 4.45 0.00 2.16 2.05 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 137 N 8.81 4.73 0.00 2.81 2.85 0.00 0.00 6.80 8.19 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 0.00 138 H 7.83 4.64 0.00 3.10 3.11 0.00 5.59 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.74 0.00 2.30 2.28 0.00 3.60 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.84 0.00 140 A 8.47 4.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.03 4.12 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.81 0.00 0.00 142 Q 7.97 4.06 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.72 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 143 N 7.75 4.60 0.00 2.83 2.85 0.00 0.00 6.92 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.74 4.39 0.00 2.81 2.58 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 0.00 145 D 8.75 4.59 0.00 2.72 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 0.00 146 D 9.36 5.05 0.00 2.67 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 0.00 147 L 7.68 4.57 0.00 1.50 1.36 0.81 0.84 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 0.00 148 S 8.15 4.25 0.00 4.09 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 0.00 149 W 7.94 4.23 0.00 3.59 3.40 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 0.00 150 I 6.15 3.50 0.56 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.26 0.48 0.00 0.00 151 C 7.43 4.28 0.00 3.09 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 0.00 152 A 7.59 4.18 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 0.00 153 D 9.08 4.41 0.00 2.74 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 0.00 154 D 8.12 4.53 0.00 2.80 2.83 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 0.00 155 Q 8.53 4.38 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.03 0.00 0.00 0.00 0.00 0.00 2.50 2.80 0.00 156 A 8.15 4.19 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 0.00 157 D 9.05 4.66 0.00 3.03 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 7.86 3.98 0.00 2.05 2.42 0.00 2.99 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 159 V 7.61 3.54 1.85 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 -0.09 0.00 0.00 0.70 0.00 0.00 160 F 7.76 4.64 0.00 3.22 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 0.00 161 R 7.51 4.54 0.00 1.81 1.94 0.00 3.35 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 162 G 7.99 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 0.00 0.00 0.00 163 L 7.90 4.24 0.00 1.77 1.76 0.97 0.75 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 0.00 164 T 7.62 4.33 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 1.46 0.00 0.00 165 G 8.58 3.67 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 0.00 166 A 8.02 4.15 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 0.00 167 G 7.91 3.54 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 0.00 0.00 0.00 168 R 8.55 3.95 0.00 1.89 1.99 0.00 3.34 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 169 R 8.10 3.83 0.00 2.16 1.92 0.00 3.11 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 1.64 0.00 170 N 8.22 4.37 0.00 2.89 3.01 0.00 0.00 7.38 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.89 4.37 0.00 1.96 1.93 0.00 3.36 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 172 G 7.93 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 0.00 0.00 0.00 173 L 7.60 4.49 0.00 1.81 1.70 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 174 S 8.25 4.24 0.00 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 G 7.84 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 0.00 176 K 8.59 4.51 0.00 1.74 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.40 7.81 177 G 7.30 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 0.00 0.00 0.00 178 K 8.98 3.96 0.00 1.72 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.46 7.81 179 G 8.84 4.07 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 0.00 0.00 0.00 180 S 7.58 4.82 0.00 4.02 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.36 4.14 0.00 1.96 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 2.31 2.39 0.00 182 K 8.02 4.81 0.00 1.70 1.76 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.38 7.81 183 T 8.02 4.37 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 1.25 0.00 0.00 184 R 7.30 4.38 0.00 1.84 1.85 0.00 3.24 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 185 P 0.00 4.54 0.00 2.21 2.15 0.00 3.85 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 1.97 1.94 0.00 186 S 7.40 4.61 0.00 4.12 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 0.00 187 L 8.40 4.07 0.00 1.71 1.76 0.93 0.86 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 0.00 188 R 7.97 3.89 0.00 1.88 1.93 0.00 3.19 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 189 S 7.97 4.34 0.00 4.08 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 0.00 190 N 7.38 4.92 0.00 2.98 2.86 0.00 0.00 6.97 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 G 8.19 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 0.00 192 G 8.01 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 0.00 0.00 0.00 193 K 7.74 4.52 0.00 1.71 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.64 7.81 194 G 8.05 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 * Residues marked with a * may have inaccurate shift predictions.