NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5680 8.2549 119.6556 55.6349 31.6687 174.8866 3 L 4.0079 8.4107 122.8977 53.1265 42.6485 175.6495 4 C 4.5950 8.5546 118.9516 57.5765 31.6166 173.9613 5 D 4.3635 8.9090 119.6216 56.8896 38.6826 178.7918 6 R 3.9873 8.0239 119.8626 59.1995 30.0553 178.0553 7 D 4.4807 8.0575 118.0768 57.3131 40.9480 178.3692 8 I 3.5920 7.9543 120.5254 64.6740 37.0554 178.2916 9 E 4.0171 8.3443 118.9628 59.1833 29.2519 179.3130 10 A 4.0319 8.0112 120.8304 55.1557 18.5588 179.8218 11 W 4.0303 9.0943 117.8276 59.7658 28.8965 178.8747 12 L 4.2762 8.2120 119.1565 57.8911 40.8208 179.2674 13 D 4.3989 8.3424 118.4385 56.9765 40.8661 177.6904 14 E 4.3895 8.0887 116.2018 55.3395 29.6588 176.6414 15 G 3.9854 7.5109 106.8071 46.6012 0.0000 175.7519 16 R 3.9439 8.5452 121.9147 57.8804 30.1214 176.2122 17 L 5.1325 7.6240 115.3479 54.1872 44.3909 175.8374 18 S 4.6506 8.6689 112.1761 56.9753 66.2051 172.7139 19 I 5.0040 8.4646 126.4136 59.8483 40.8299 173.6935 20 N 5.2350 8.9442 125.3689 50.4790 41.2045 172.9575 21 P 4.7161 0.0000 0.0000 62.3108 32.7414 176.0773 22 R 4.3442 8.3150 121.3425 54.7947 30.4596 174.7675 23 P 4.4245 0.0000 0.0000 61.6867 32.2282 174.4775 24 P 4.6182 0.0000 0.0000 61.8405 32.6509 177.2833 25 V 3.6796 8.2513 116.8188 65.8772 31.4824 177.6902 26 E 4.0470 8.2298 118.1168 58.5620 29.5518 177.5335 27 R 4.4484 8.0466 116.3532 55.6506 30.6706 175.3340 28 I 4.8683 7.3720 120.0310 59.6626 39.0971 174.5532 29 N 5.0225 8.6436 120.9398 53.2587 41.9734 177.9041 30 G 3.9454 9.6329 111.5415 46.6279 0.0000 174.7819 31 A 5.0485 9.3633 116.5845 50.3409 21.2403 177.8375 32 T 4.9492 8.4198 107.7326 61.8224 73.1596 172.5411 33 V 4.9359 8.6147 122.7275 61.0958 33.9501 174.5898 34 D 5.0086 8.9722 128.6096 54.5537 41.5084 176.2030 35 V 4.5966 8.6598 115.4491 59.7363 35.5932 174.8809 36 R 4.9781 9.0324 121.0710 54.0374 33.6719 175.3301 37 L 4.3338 8.4295 123.1587 55.5042 43.3415 177.1510 38 G 4.3991 8.6953 114.5018 45.3081 0.0000 173.4212 39 N 5.2287 8.6167 118.7195 52.4144 38.8203 174.0377 40 K 5.1769 7.5194 118.4409 55.1545 35.9474 175.0672 41 F 5.1654 9.1229 121.2447 56.2411 44.1053 173.7317 42 R 5.0580 9.0216 118.8982 55.0034 34.6215 174.5647 43 T 5.1049 8.4626 112.6895 59.9879 72.0630 172.8792 44 F 5.0714 8.9179 119.1405 55.9560 41.1299 176.4487 45 R 4.6335 8.8365 124.5247 54.2438 29.7262 176.7945 46 G 3.7558 8.3488 111.6892 47.8297 0.0000 172.8513 47 H 4.3852 8.2671 114.5603 57.6080 28.6342 175.9081 48 T 4.3099 7.5929 108.6070 61.6940 69.4369 173.9635 49 A 4.6400 7.5649 123.7934 51.0004 22.4747 176.1896 50 A 4.3021 8.7061 123.1117 54.7199 19.0411 177.4758 51 F 4.7968 7.4605 107.3343 56.5256 40.2672 172.8051 52 I 4.0585 8.2481 121.0947 59.3779 39.1362 175.5396 53 D 4.7499 8.1261 125.5486 52.7949 40.0866 176.1990 54 L 4.0838 8.5903 127.2799 57.0804 41.8830 178.1265 55 S 4.6862 8.0700 112.2142 57.9013 62.8824 173.0779 56 G 4.1439 7.5690 108.1984 42.5180 0.0000 172.5042 57 P 4.2343 0.0000 0.0000 62.6211 32.5416 177.0291 58 K 3.8277 8.7555 123.3507 59.8721 32.1329 178.2963 59 D 4.3658 8.1549 118.4170 57.5070 40.6752 178.4514 60 E 3.8429 8.0826 118.8236 59.5000 29.7744 178.9576 61 V 3.5423 7.5988 117.6757 65.8846 31.6183 178.1935 62 S 4.1150 8.1776 114.9528 61.4231 62.7974 176.5268 63 A 3.9592 7.9557 123.2854 55.0326 18.1714 179.5047 64 A 3.9231 8.2626 119.6831 55.3077 18.2166 179.8576 65 L 3.9894 7.7495 116.3156 58.1746 41.7936 179.2948 66 D 4.4995 7.8458 117.4194 57.1310 40.7273 178.9087 67 R 4.0971 7.6412 117.6754 58.7958 31.8169 178.9573 68 V 4.4208 7.9115 114.8775 58.9615 27.8552 175.0492 *70 S 4.4497 7.0475 113.7238 57.6709 64.6079 174.1792 71 D 4.5463 8.2958 120.3117 53.8210 41.2072 176.0281 72 E 4.2703 8.5641 122.5250 56.7038 30.5695 175.8752 73 I 4.4518 9.1097 128.2136 59.9974 39.1873 174.6295 74 V 4.8837 8.4768 127.1535 61.1499 33.1803 174.5836 75 L 4.5010 8.4310 128.4529 54.0471 42.8790 177.6329 76 D 4.6665 8.5262 124.3697 53.4605 42.5268 174.8270 77 E 3.9791 8.7393 120.8694 58.1348 29.9694 177.1429 78 G 4.0228 8.6752 113.0830 46.4239 0.0000 172.4286 79 E 4.5664 7.6061 117.1078 53.9674 31.4488 174.7105 80 A 4.8019 8.0968 124.7373 49.9673 22.4642 175.0851 81 F 4.1476 8.5239 122.7139 56.6674 41.1614 174.4128 82 Y 4.6691 7.7712 124.5604 56.7842 38.6551 175.2506 83 L 4.4989 8.6363 128.8450 54.2228 42.9326 175.5678 84 H 4.9224 8.6281 123.8425 53.9519 30.7413 173.4300 85 P 4.1551 0.0000 0.0000 64.6050 31.5127 176.9977 86 G 4.2287 8.5442 110.2084 45.0898 0.0000 172.6120 87 E 4.7821 7.5912 119.9109 54.2923 31.8245 174.8048 88 L 5.2152 8.7873 126.4124 54.3028 43.5379 175.3854 89 A 5.2417 9.2594 126.2695 50.6568 23.3387 174.7751 90 L 5.0083 8.9305 120.0609 53.8820 44.2959 176.1838 91 A 4.7989 8.6013 122.5603 50.9698 22.8788 174.9928 92 V 4.7843 7.5333 113.6139 60.4255 34.9029 174.6734 93 T 4.4134 8.4212 112.8961 61.6458 69.1170 174.5039 94 L 4.1246 8.5280 126.0302 58.3961 42.3251 177.5878 95 E 4.4273 8.1228 118.3694 56.2067 31.0006 176.0979 96 S 4.7681 9.1467 119.5083 57.7782 64.1621 172.8849 97 V 5.0761 8.7985 126.0131 61.4841 35.0939 174.3371 98 T 5.1166 9.0513 123.0174 62.0219 72.2578 172.7266 99 L 5.1204 8.9121 127.0657 52.3134 44.6383 175.3951 100 P 4.9768 0.0000 0.0000 61.7476 33.0090 176.6548 101 A 4.2526 8.5760 119.9041 54.2723 18.5406 178.3560 102 D 5.1066 8.1306 115.0483 52.6783 40.0841 175.0799 103 L 5.2962 7.8295 119.9764 54.1304 45.8139 175.1299 104 V 4.5939 8.8368 125.1269 59.8511 34.4247 174.8159 105 G 4.2298 8.5037 109.6320 44.2854 0.0000 172.0980 106 W 5.4236 8.2824 119.6182 54.6365 33.4417 174.0291 107 L 4.8044 8.9121 127.9154 54.1446 42.4080 175.5186 108 D 4.9389 9.2053 126.8249 52.4262 43.3508 176.7078 109 G 4.2418 8.4930 115.7136 45.8684 0.0000 174.1679 110 R 4.6880 8.2461 120.4730 53.4851 35.5070 175.7708 111 S 4.2183 8.6829 116.3827 61.7049 62.2528 176.8255 112 S 4.1929 7.9923 116.6465 61.2058 62.8749 175.9297 113 L 4.2055 7.7566 121.0467 57.2013 41.7246 178.7577 114 A 4.0529 8.4772 121.2354 55.1743 18.1162 179.2538 115 R 4.2176 7.7509 113.4319 57.3480 30.3321 177.1631 116 L 4.5182 7.7262 117.1918 54.2189 42.6747 177.1576 117 G 3.8817 8.4022 108.0956 44.7623 0.0000 173.7574 118 L 4.6946 7.3441 121.6324 54.2406 43.1137 176.8339 *120 V 4.3782 8.0411 111.9019 61.0961 33.1627 174.9299 121 H 4.9081 7.6035 113.4648 54.5312 30.9777 173.7147 122 V 4.0518 8.0118 119.7022 62.3045 31.6657 175.2652 123 T 3.5664 8.2792 119.4221 61.1128 67.6729 175.2557 124 A 4.3510 7.4819 126.1071 52.8090 20.9478 175.6114 125 H 4.7905 8.6545 115.1544 55.8669 31.0617 172.4136 126 R 3.8187 7.8638 119.5299 55.4536 31.1216 175.4067 127 I 3.7276 7.5299 127.6792 59.3199 39.0382 175.1290 128 D 4.7698 7.9923 127.4307 52.7313 42.4608 174.4976 129 P 4.8378 0.0000 0.0000 63.9266 31.4694 177.5961 130 G 4.1057 8.8251 108.6873 45.9334 0.0000 173.3039 131 W 4.4271 8.1226 130.4584 57.8233 31.2103 175.1098 132 S 4.4474 6.6534 118.8328 57.1648 64.0724 173.6998 133 G 4.1023 7.7774 116.6159 44.1682 0.0000 170.7648 134 C 4.9036 7.3826 117.7395 59.3277 29.0048 173.8349 135 I 4.2827 8.4861 123.3600 59.9093 38.4411 175.2860 136 V 3.9937 8.2548 127.8759 62.6986 32.1928 174.9089 137 L 4.3980 8.6290 128.1194 53.0009 43.8874 175.4839 138 A 4.8355 8.3001 125.1741 50.4859 20.2545 175.6678 139 F 5.1479 9.1584 121.4228 57.6044 41.4448 174.9990 140 Y 5.2446 8.5958 122.8585 56.1391 42.5700 173.0722 141 N 4.8126 7.8154 125.8383 52.3741 39.8077 174.7605 142 S 4.5309 9.0569 121.5131 58.5126 64.5757 174.8648 143 G 4.1510 8.1336 110.6262 44.9524 0.0000 173.2183 144 K 4.3664 8.4844 116.5558 56.2887 33.2311 176.4754 145 L 4.8033 7.4511 118.0409 51.7040 44.3259 174.4058 146 P 4.5807 0.0000 0.0000 62.8731 32.3947 175.6249 147 L 4.8004 8.6145 122.1643 52.7685 44.9501 175.5383 148 A 4.4429 8.7139 126.1045 51.4624 19.4655 176.2423 149 L 4.6396 8.9445 123.4819 53.0005 44.1000 175.8145 150 R 4.9002 8.4384 122.4044 53.3317 32.8797 173.9185 151 P 4.0588 0.0000 0.0000 64.1229 31.7902 177.0755 152 G 3.8769 8.3879 112.4237 46.1242 0.0000 173.0387 *154 L 4.2235 7.2676 116.3329 54.9633 43.1598 176.9511 155 I 4.4208 8.1495 122.9106 61.3906 40.5002 174.9310 156 G 4.2319 7.5838 105.8685 46.4652 0.0000 171.8983 157 A 5.2681 8.4821 120.1336 50.5726 23.2293 175.7936 158 L 5.1555 9.0891 120.1282 52.8076 45.0464 175.9993 159 S 4.9979 8.3427 116.5359 56.4583 66.9770 172.7438 160 F 5.3110 8.4167 117.6393 55.7492 43.4284 173.5314 161 E 4.8500 9.2902 123.4401 53.5869 32.2559 173.1355 162 P 4.8849 0.0000 0.0000 63.2088 32.0601 176.3594 163 L 4.6737 8.7009 123.9555 53.4902 42.7337 177.4368 164 S 4.2325 8.8418 114.9811 61.2474 63.1995 173.7943 165 G 4.1022 7.4099 107.4606 43.9776 0.0000 170.3520 166 P 4.3784 0.0000 0.0000 62.0566 31.8795 176.1697 167 A 4.1459 8.5971 126.0532 52.2344 18.8266 178.0616 168 V 3.7995 8.4208 122.0218 64.9291 32.4142 176.5341 169 R 4.6422 7.5550 117.2333 53.7336 30.0021 172.4125 170 P 4.6283 0.0000 0.0000 62.1062 32.9809 177.7938 171 Y 4.0099 9.1288 120.2479 60.6130 38.9979 177.7147 172 N 4.4160 8.0269 117.1082 54.7232 37.5271 176.1479 173 R 4.5113 7.5232 116.0279 55.6847 31.5069 175.6247 174 R 4.2670 7.4942 120.6873 54.9809 30.7425 176.9642 175 E 3.9663 8.7735 123.8880 58.5349 30.0869 177.0830 176 D 4.6574 7.8262 116.3608 52.5344 39.7841 176.0814 177 A 3.9573 7.3177 123.0348 52.7058 18.6462 178.4668 178 K 4.0718 8.5423 120.8258 57.5748 32.8626 177.0607 179 Y 5.0682 7.8908 115.6891 57.6539 38.8562 176.1501 180 R 3.8714 8.2192 117.8193 56.9191 31.2204 175.7220 181 N 3.9205 8.2353 115.9781 54.9464 36.8475 174.6824 182 Q 4.5382 7.6177 119.1305 54.7083 30.6056 174.6265 183 Q 4.2660 8.8730 126.5743 56.7887 30.8732 174.7641 184 G 4.2154 7.5740 106.4780 44.5814 0.0000 173.0924 185 A 4.1908 8.1164 118.7074 51.0034 16.7444 177.1698 186 V 3.6658 7.4399 120.4788 61.8083 32.6951 175.9308 187 A 4.3240 8.3278 129.7723 51.0750 19.3050 176.8121 188 S 4.4016 8.5689 114.3279 59.0606 62.9411 174.4118 189 R 4.8514 8.7774 126.0827 54.8550 30.5699 178.0219 190 I 3.7883 7.6353 121.4170 63.8526 38.2331 177.4083 191 D 4.3925 8.1415 119.2551 56.0203 39.2469 177.8106 192 K 4.3026 7.8424 117.3860 57.1765 32.4183 176.6587 193 D 4.5265 7.6836 124.5623 54.6365 40.6185 176.0748 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 2 R 8.25 4.57 0.00 1.70 1.93 0.00 3.34 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 3 L 8.41 4.01 0.00 1.51 1.43 -0.24 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.55 4.60 0.00 3.01 3.08 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 0.00 0.00 0.00 0.00 5 D 8.91 4.36 0.00 3.01 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 6 R 8.02 3.99 0.00 1.92 2.00 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 7 D 8.06 4.48 0.00 2.87 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 8 I 7.95 3.59 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.11 0.91 0.00 0.00 9 E 8.34 4.02 0.00 2.06 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 2.36 2.64 0.00 10 A 8.01 4.03 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 W 9.09 4.03 0.00 3.17 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 12 L 8.21 4.28 0.00 1.91 1.73 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.34 4.40 0.00 2.84 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 14 E 8.09 4.39 0.00 1.89 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 2.26 2.35 0.00 15 G 7.51 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 16 R 8.55 3.94 0.00 1.80 1.70 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.19 0.00 17 L 7.62 5.13 0.00 1.62 1.76 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.67 4.65 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 19 I 8.46 5.00 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.74 0.98 0.00 0.00 20 N 8.94 5.23 0.00 2.70 2.69 0.00 0.00 6.36 7.47 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 21 P 0.00 4.72 0.00 2.08 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 22 R 8.32 4.34 0.00 1.89 1.90 0.00 3.07 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 23 P 0.00 4.42 0.00 2.11 1.99 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 24 P 0.00 4.62 0.00 2.46 2.22 0.00 3.72 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 2.13 1.96 0.00 25 V 8.25 3.68 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 1.00 0.00 0.00 1.00 0.00 0.00 26 E 8.23 4.05 0.00 1.99 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 2.32 2.40 0.00 27 R 8.05 4.45 0.00 1.99 1.95 0.00 3.24 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 28 I 7.37 4.87 1.90 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 1.40 0.65 0.95 0.00 0.00 29 N 8.64 5.02 0.00 2.93 2.88 0.00 0.00 6.73 6.21 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 30 G 9.63 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 31 A 9.36 5.05 1.23 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 0.00 0.00 32 T 8.42 4.95 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 1.18 0.00 0.00 33 V 8.61 4.94 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.15 0.00 0.00 34 D 8.97 5.01 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.66 4.60 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 0.83 0.00 0.00 0.95 0.00 0.00 36 R 9.03 4.98 0.00 1.75 1.82 0.00 3.14 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 37 L 8.43 4.33 0.00 1.87 1.60 1.15 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.70 4.40 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 39 N 8.62 5.23 0.00 2.92 3.07 0.00 0.00 5.75 6.45 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 40 K 7.52 5.18 0.00 1.54 1.75 0.00 1.58 0.00 0.00 2.02 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 41 F 9.12 5.17 0.00 2.94 2.56 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 50 A 8.71 4.30 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.46 4.80 0.00 3.15 2.96 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 0.00 0.00 0.00 52 I 8.25 4.06 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.66 0.90 0.00 0.00 53 D 8.13 4.75 0.00 2.60 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 54 L 8.59 4.08 0.00 1.71 1.76 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.07 4.69 0.00 3.80 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.57 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.23 0.00 2.16 2.01 0.00 3.63 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 2.13 2.17 0.00 58 K 8.76 3.83 0.00 1.81 1.81 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.54 7.81 59 D 8.15 4.37 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.08 3.84 0.00 2.08 1.89 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 2.31 2.34 0.00 61 V 7.60 3.54 2.06 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 0.97 0.00 0.00 1.06 0.00 0.00 62 S 8.18 4.11 0.00 4.18 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 63 A 7.96 3.96 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 64 A 8.26 3.92 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 65 L 7.75 3.99 0.00 1.66 1.77 1.03 0.93 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 66 D 7.85 4.50 0.00 2.83 2.73 0.00 0.00 0.00 0.00 0.00 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0.00 3.13 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.16 0.00 2.01 2.14 0.00 3.78 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 2.02 2.07 0.00 86 G 8.54 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 0.00 0.00 0.00 87 E 7.59 4.78 0.00 2.02 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 0.00 2.44 2.45 0.00 88 L 8.79 5.22 0.00 1.79 1.53 1.11 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.26 5.24 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.93 5.01 0.00 1.52 1.48 0.87 1.03 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 91 A 8.60 4.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.53 4.78 1.91 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 0.00 118 L 7.34 4.69 0.00 1.55 1.70 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 *120 V 8.04 4.38 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 1.05 0.00 0.00 1.01 0.00 0.00 121 H 7.60 4.91 0.00 3.30 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.01 4.05 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 1.00 0.00 0.00 0.98 0.00 0.00 123 T 8.28 3.57 4.25 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 0.00 0.00 0.00 1.20 0.00 0.00 124 A 7.48 4.35 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.65 4.79 0.00 3.16 2.69 0.00 5.47 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.86 3.82 0.00 1.56 1.51 0.00 2.92 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 127 I 7.53 3.73 1.53 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.55 0.40 0.00 0.00 128 D 7.99 4.77 0.00 2.42 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 P 0.00 4.84 0.00 2.34 2.35 0.00 3.87 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 2.13 1.97 0.00 130 G 8.83 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.12 4.43 0.00 3.32 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 0.00 132 S 6.65 4.45 0.00 3.65 3.42 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 0.00 133 G 7.78 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 0.00 134 C 7.38 4.90 0.00 2.77 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 0.00 135 I 8.49 4.28 1.79 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 0.88 0.77 0.68 0.00 0.00 136 V 8.25 3.99 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 0.60 0.00 0.00 0.96 0.00 0.00 137 L 8.63 4.40 0.00 0.78 0.71 0.68 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.30 4.84 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 0.00 139 F 9.16 5.15 0.00 3.24 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 0.00 140 Y 8.60 5.24 0.00 3.08 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 7.82 4.81 0.00 2.50 2.65 0.00 0.00 6.56 7.51 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 0.00 142 S 9.06 4.53 0.00 4.08 4.34 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 0.00 143 G 8.13 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 0.00 0.00 0.00 0.00 144 K 8.48 4.37 0.00 1.74 1.85 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.43 7.81 145 L 7.45 4.80 0.00 1.55 1.53 0.91 1.02 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 0.00 146 P 0.00 4.58 0.00 1.91 1.82 0.00 3.61 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 2.04 2.19 0.00 147 L 8.61 4.80 0.00 1.48 1.46 0.85 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 0.00 148 A 8.71 4.44 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.94 4.64 0.00 1.56 1.61 0.49 0.49 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 0.00 150 R 8.44 4.90 0.00 1.65 1.81 0.00 3.20 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 151 P 0.00 4.06 0.00 1.99 2.09 0.00 3.69 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 2.14 2.33 0.00 152 G 8.39 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 *154 L 7.27 4.22 0.00 1.69 1.70 0.93 0.85 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 0.00 155 I 8.15 4.42 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.03 1.02 0.00 0.00 156 G 7.58 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 0.00 0.00 0.00 157 A 8.48 5.27 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 0.00 158 L 9.09 5.16 0.00 1.33 0.81 0.98 0.63 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 0.00 159 S 8.34 5.00 0.00 3.81 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 0.00 160 F 8.42 5.31 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 0.00 161 E 9.29 4.85 0.00 2.19 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 2.28 2.31 0.00 162 P 0.00 4.88 0.00 2.04 2.12 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.95 0.00 163 L 8.70 4.67 0.00 1.72 1.65 1.03 1.06 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 0.00 164 S 8.84 4.23 0.00 4.01 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 0.00 165 G 7.41 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 0.00 166 P 0.00 4.38 0.00 2.22 2.10 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 167 A 8.60 4.15 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 0.00 168 V 8.42 3.80 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 0.95 0.00 0.00 169 R 7.55 4.64 0.00 1.81 1.84 0.00 3.28 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 170 P 0.00 4.63 0.00 2.43 2.26 0.00 3.72 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 171 Y 9.13 4.01 0.00 3.31 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 0.00 172 N 8.03 4.42 0.00 3.00 3.26 0.00 0.00 6.81 7.54 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 0.00 173 R 7.52 4.51 0.00 1.73 1.95 0.00 3.30 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 174 R 7.49 4.27 0.00 1.90 1.58 0.00 3.09 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.52 0.00 175 E 8.77 3.97 0.00 2.07 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 2.23 2.25 0.00 176 D 7.83 4.66 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 0.00 177 A 7.32 3.96 0.53 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 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.54 4.07 0.00 1.17 0.74 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 1.26 7.81 179 Y 7.89 5.07 0.00 3.52 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 8.22 3.87 0.00 1.74 1.77 0.00 3.26 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 181 N 8.24 3.92 0.00 2.77 2.81 0.00 0.00 6.82 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Q 7.62 4.54 0.00 2.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.48 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 183 Q 8.87 4.27 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 184 G 7.57 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.12 4.19 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 0.00 186 V 7.44 3.67 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 187 A 8.33 4.32 1.26 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 0.00 0.00 188 S 8.57 4.40 0.00 3.95 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 0.00 189 R 8.78 4.85 0.00 1.73 1.79 0.00 3.11 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 190 I 7.64 3.79 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.95 0.00 0.00 191 D 8.14 4.39 0.00 2.86 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 0.00 192 K 7.84 4.30 0.00 1.83 1.84 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 193 D 7.68 4.53 0.00 2.73 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.