NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3840 0.0000 0.0000 62.2141 32.4598 175.1145 3 K 3.9018 8.5628 122.8309 56.8443 32.6937 176.3961 4 K 4.4288 9.1330 126.6231 54.4306 34.1686 174.2319 5 P 4.4129 0.0000 0.0000 62.4580 31.9268 177.0721 6 L 4.0107 8.7043 122.4360 59.0278 42.4427 179.3443 7 I 3.9294 8.2458 118.3766 64.8605 36.9039 177.8523 8 D 4.5767 7.7550 116.8524 56.3838 40.7504 177.8039 9 Q 4.2769 7.9633 117.2573 55.6201 29.1948 175.4788 10 L 4.5830 7.2791 121.2386 53.6543 43.1037 175.8230 11 H 5.0536 8.4458 119.6516 53.7810 32.2942 174.2095 12 H 4.2342 9.1442 118.8016 58.4469 28.4893 176.3978 13 E 3.8525 8.1023 120.3560 59.0498 30.0787 176.8788 14 D 4.7923 7.7663 119.0843 53.3299 39.9072 176.3119 15 S 4.2673 7.9061 119.9112 61.3237 63.4473 176.2481 16 W 4.5089 8.2691 121.1862 59.8044 28.7436 178.1480 17 R 4.1079 8.1232 117.7203 59.5059 29.4336 178.4141 18 L 3.9872 8.1858 118.7257 57.6100 41.5391 179.2025 19 F 4.1851 8.6374 117.3504 59.8642 38.3029 177.6765 20 R 4.1499 8.3389 118.3400 58.8944 29.8794 179.0276 21 I 3.5126 7.5723 119.9169 64.1671 37.1363 178.2665 22 L 4.1997 7.9165 119.1346 57.9399 41.4280 179.3756 23 A 4.0989 8.3446 120.6474 54.9709 18.1865 179.3241 24 E 3.8179 7.8502 117.4544 59.2117 29.5583 179.1419 25 F 3.6421 7.8846 117.4069 60.3596 38.9911 177.3795 26 V 3.7308 7.9113 117.8195 66.4056 31.1988 177.6430 27 E 4.0647 8.5783 118.2771 59.5582 29.4198 179.7115 28 G 3.5831 8.1421 105.6245 47.9794 0.0000 175.7250 29 F 4.9835 8.3135 121.9217 59.8336 39.0124 177.7663 30 E 3.9962 8.4353 118.2974 59.7244 29.1281 179.3044 31 T 3.8231 7.8015 114.3488 66.8951 68.7343 176.3522 32 L 4.0199 7.9873 120.8261 57.4260 41.4904 179.5634 33 S 3.5116 7.6296 113.2731 60.6788 63.0180 175.7551 34 E 3.9948 7.6894 121.8254 57.6170 29.7719 177.0284 35 L 4.1062 6.8597 118.6524 54.9471 42.1704 176.7542 36 Q 4.4576 8.3127 119.5597 56.5263 30.6265 177.0372 37 V 3.7708 7.5381 110.2209 60.5031 32.2649 173.8976 38 P 4.5016 0.0000 0.0000 62.7380 32.6797 175.1800 39 L 5.1893 8.6707 124.2375 53.3892 43.6509 175.3170 40 V 4.5449 8.8197 125.0097 61.1375 33.9680 174.6424 41 S 4.9183 8.0817 123.9219 57.4635 64.2176 173.4216 42 V 4.8635 8.6333 122.9164 61.2191 35.0481 173.8793 43 F 4.7441 8.7908 128.7215 56.7094 43.2033 173.4116 44 G 4.4094 8.6905 109.5318 45.3591 0.0000 172.5703 45 S 4.0787 8.2499 114.1537 59.0325 62.7546 174.7818 46 A 4.6016 8.6153 127.7225 52.5078 19.0905 177.5140 47 R 4.3965 7.5341 113.8625 55.8696 32.0807 176.2735 48 F 4.7621 7.7860 117.7135 56.8304 38.8664 174.9550 49 G 4.3362 8.3476 117.6170 43.8127 0.0000 171.0185 50 E 2.8924 8.1196 118.4990 58.0125 29.5587 177.6441 51 G 3.9067 8.6562 112.0679 45.5706 0.0000 173.6093 52 H 4.3550 8.0204 119.6801 54.8856 31.7282 173.6537 53 P 4.4646 0.0000 0.0000 65.2213 31.1932 178.8436 54 A 4.0511 8.1977 118.6516 55.1130 18.2079 179.0020 55 Y 3.8795 8.0129 117.7840 60.9472 38.9450 177.6295 56 E 4.1318 8.6656 119.4287 59.4912 29.5373 179.2819 57 A 4.2448 8.4801 121.1294 55.0692 18.4736 179.8530 58 G 3.4999 8.2696 104.4554 48.0228 0.0000 175.2893 59 Y 3.8793 8.1970 122.1339 60.5485 38.8008 178.3298 60 R 4.0734 8.2646 119.0244 59.0393 30.0417 178.8926 61 L 3.9696 8.2088 120.3919 58.0901 42.1338 179.1367 62 G 3.5192 7.9329 105.6509 47.7194 0.0000 175.4096 63 R 3.9431 7.9935 122.2456 58.5496 30.1590 178.2690 64 A 4.0089 8.1241 120.5627 55.2655 18.3675 179.5808 65 L 3.9836 8.2802 117.4361 57.8329 41.7318 179.6149 66 A 4.1430 8.1413 120.6164 55.4839 18.1918 179.3032 67 E 4.0326 8.5052 115.6630 59.5943 29.6424 178.8903 68 A 4.3388 7.8200 117.9683 52.4056 18.9976 178.1284 69 G 3.7375 8.5092 106.2886 44.7539 0.0000 173.7402 70 F 4.7611 7.8582 118.0689 56.5881 40.6240 175.2722 71 G 4.3082 9.7870 108.5573 44.7646 0.0000 172.8297 72 V 5.0020 8.2648 114.7796 59.2139 34.9157 175.0779 73 V 4.7994 8.8579 124.6014 61.5768 34.1838 174.3815 74 T 5.3315 8.0394 118.5844 58.8727 70.8098 174.5958 75 G 3.7213 8.7574 108.2376 45.7405 0.0000 174.9674 76 G 4.3355 7.8952 107.9319 46.0253 0.0000 174.2072 77 G 4.4313 7.0165 109.5884 43.2419 0.0000 171.1022 78 P 4.5861 0.0000 0.0000 62.9126 34.2771 176.5089 79 G 4.4268 8.7473 106.0579 45.3658 0.0000 176.5636 80 V 3.7938 7.9130 118.1806 61.1639 30.7211 178.0713 *82 E 4.2262 8.3282 122.2797 57.3643 31.7726 177.2199 83 A 3.4773 7.7471 120.5837 54.7705 18.1939 179.8220 84 V 3.4839 7.6411 116.6860 66.2390 31.6545 177.9860 85 N 4.3066 7.9875 115.7434 56.1905 38.3231 177.1995 86 R 3.5334 8.1878 120.5258 59.2412 29.6318 178.7576 87 G 2.3501 7.8939 105.4861 47.1617 0.0000 175.5542 88 A 4.0214 7.7599 123.0831 55.0103 18.6243 178.7987 89 Y 4.0908 8.4578 118.4121 61.1157 38.6610 178.3192 90 E 4.0141 8.4207 116.6829 58.1471 29.7775 177.3502 91 A 4.2809 7.7798 120.1830 51.8974 19.1552 177.8004 92 G 3.7610 8.0261 104.4402 45.2049 0.0000 174.1236 93 G 3.9357 7.6116 107.0110 45.1126 0.0000 173.7679 94 V 4.1389 8.2046 119.9101 62.1222 32.9464 174.3401 95 S 5.0222 9.4164 123.8675 56.5763 64.5923 172.6646 96 V 4.8846 8.9513 127.6738 61.0352 34.5037 174.4129 97 G 4.2574 8.8915 113.6512 44.5647 0.0000 172.1706 98 L 4.6942 8.5400 127.6278 53.3700 40.4224 174.4493 99 N 4.6422 8.7568 119.6922 53.1033 39.4851 175.8603 100 I 4.6359 8.3640 123.0742 60.7672 38.1437 174.0011 *108 P 4.3027 0.0000 0.0000 61.6248 32.3064 176.1432 109 N 4.4340 8.2463 120.0882 52.6208 37.6327 172.4602 110 P 4.4043 0.0000 0.0000 63.6279 32.3171 175.4569 111 Y 3.6840 7.2794 111.8910 58.6035 38.5698 176.2373 112 Q 4.7191 7.3281 117.1597 54.4147 32.1583 176.4231 113 T 4.2395 9.1925 120.4803 66.2275 69.5461 174.7457 114 H 4.7592 8.1762 118.2658 53.9701 32.4019 172.6339 115 A 4.9210 8.6171 126.2133 50.2214 20.3116 175.8417 116 L 4.3086 8.9799 123.5866 54.6088 43.5423 176.5155 117 S 4.8055 8.5882 119.4267 57.0730 64.2632 173.3282 118 L 4.7471 8.8483 125.7353 52.9853 43.9173 177.9731 119 R 3.7503 9.2853 123.3223 57.4109 30.6090 176.1339 120 Y 4.3649 8.0737 116.5666 55.4770 39.8317 176.6184 121 F 4.2727 8.6469 120.8644 60.0316 38.1492 177.6360 122 F 4.3915 6.2476 114.5043 59.3774 37.6276 177.6084 123 V 3.1558 6.5653 119.0866 65.4642 31.0821 177.7909 124 R 3.7709 7.7782 117.9967 59.4757 29.5649 178.1370 125 K 4.3099 8.3691 118.1866 59.9211 32.0656 179.3699 126 V 3.9680 8.0213 117.7225 66.2244 31.3532 178.1402 127 L 4.2131 8.1427 117.5923 57.7537 41.4537 179.2438 128 F 4.4162 8.6215 117.4211 59.6332 39.2433 176.9332 129 V 4.3572 7.6278 110.6466 61.4923 33.0444 177.8688 130 R 3.7879 8.1507 117.7301 58.8975 30.1934 177.1020 131 Y 4.7284 7.6938 112.5147 57.3888 38.7831 174.8052 132 A 4.2929 7.8511 123.7715 52.2725 18.7053 178.7128 133 V 4.3571 8.2049 121.4830 61.0603 32.7684 175.7505 134 G 4.2690 7.1621 108.8001 46.5604 0.0000 171.9458 135 F 5.2234 8.8209 122.2961 56.6485 43.2012 173.0612 136 V 5.0301 9.2999 126.5364 61.1790 34.2396 173.9930 137 F 5.4927 9.8500 126.7885 55.8141 41.6101 174.7352 138 L 5.3499 8.8936 122.9133 51.8787 45.1175 174.4827 139 P 3.1614 0.0000 0.0000 63.4914 31.9421 176.3649 140 G 4.2507 7.5505 111.6534 45.7856 0.0000 173.0383 141 G 4.0806 7.8751 107.6843 45.5842 0.0000 175.7197 142 F 4.5794 9.0740 123.2710 60.3912 38.5624 176.6992 143 G 3.8013 8.3302 104.8552 48.4223 0.0000 175.6411 144 T 3.5055 7.9337 117.6698 65.9911 68.5896 176.5933 145 L 3.9882 8.1499 122.3962 58.0135 42.1207 178.1028 146 D 4.2200 8.7932 119.1905 57.5957 41.1225 178.0415 147 E 3.7633 8.0029 119.6097 59.0895 29.4936 178.5420 148 L 2.7150 7.6012 120.3665 57.7629 41.9661 178.9790 149 S 3.9815 8.1517 115.4491 61.7102 62.7729 176.4705 150 E 3.9432 8.0700 121.8598 59.0840 29.2804 178.9528 151 V 3.6569 7.7630 118.3425 65.9368 31.5259 177.9285 152 L 3.8908 7.9484 118.8823 57.7453 41.4350 179.6076 153 V 3.5837 7.6744 117.9547 66.0670 31.5070 177.7765 154 L 3.9831 8.2485 118.9883 57.9755 41.4614 179.7861 155 L 3.7941 8.0814 118.7518 57.7992 41.4193 178.9542 156 Q 3.9538 8.4312 118.9671 59.0904 28.9293 177.9846 157 T 4.3224 8.0095 107.4881 60.3007 69.6279 174.1150 158 E 3.7405 8.2034 119.9136 57.8249 27.4486 175.4604 159 K 4.2837 8.5913 117.0525 57.3591 32.8108 177.5472 160 V 4.5501 7.1639 117.0894 59.7046 34.3191 174.0804 161 H 4.3282 8.5384 116.1957 55.6587 28.8300 175.5749 162 R 3.9348 8.3397 120.6319 56.4741 30.6511 175.7821 163 F 5.1216 7.3142 114.3204 55.1039 40.9660 172.1106 164 P 4.4587 0.0000 0.0000 62.6074 32.9286 175.4829 165 V 5.1661 7.9507 121.5751 61.3362 34.6675 173.9898 166 F 5.4841 9.7024 126.5356 55.6994 42.5463 174.2721 167 L 4.8202 9.0374 122.9665 52.9456 43.8019 175.4236 168 L 4.9350 9.3041 125.2445 55.0497 43.1580 175.9106 169 D 5.5299 9.4065 122.5556 56.1094 40.0209 174.8232 170 R 4.2559 9.0002 123.1734 59.1044 30.1535 178.2811 171 G 3.7151 8.2545 103.3992 47.9251 0.0000 174.6800 172 Y 3.9501 8.1508 120.9014 60.3366 39.2522 177.6463 173 W 4.3684 8.9273 119.2406 59.9802 29.1344 178.1759 174 E 3.6014 8.7171 116.6749 57.7273 29.6985 178.6705 175 G 3.8680 8.1719 104.8894 48.0719 0.0000 174.7740 176 L 4.0859 7.9305 122.2845 57.9021 42.2915 178.8835 177 V 3.7280 8.0901 118.1969 66.2486 31.3549 178.2423 178 R 4.0387 8.4913 118.0000 59.0415 29.8690 178.7685 179 W 4.2893 8.6094 128.3095 60.5816 30.6896 178.0370 180 L 3.9044 8.6045 119.0202 57.5692 40.9606 179.2948 181 A 4.0285 8.0876 120.9836 54.9030 18.2010 179.4278 182 F 4.1817 8.3634 119.3372 61.5952 39.4700 177.2756 183 L 3.4249 7.8379 118.8418 57.7263 41.3708 179.6261 184 R 3.7798 7.8411 118.5623 59.2298 29.7512 178.2713 185 D 4.2540 7.7479 118.2749 57.3359 40.9122 178.3698 186 Q 3.8475 7.5485 116.8084 56.3489 28.6335 176.9187 187 K 3.8312 7.3996 117.7606 57.0678 29.7741 177.2649 188 A 4.0961 7.8840 124.3210 53.8717 18.6299 179.0274 189 V 4.4688 7.2008 107.1572 58.9288 35.3701 175.7099 190 G 3.7592 9.3350 111.1492 44.7327 0.0000 173.0129 191 P 4.1922 0.0000 0.0000 64.9541 31.1738 177.7751 192 E 4.6596 7.8230 115.0182 55.9910 30.1208 177.5514 193 D 4.3391 8.1261 122.0920 57.7968 41.1734 178.3822 194 L 4.1146 7.6482 116.6065 55.9731 41.8038 177.2035 195 Q 4.0591 7.1587 116.8220 55.9517 28.8083 176.8381 196 L 4.0533 7.3179 119.2126 56.3474 41.9426 176.7878 197 F 5.1815 7.0408 111.6065 54.7520 41.0920 174.4736 198 R 4.7001 9.2780 119.7480 54.5639 33.3697 173.9238 199 L 5.3615 8.5132 124.0184 53.5576 43.9108 175.5697 200 T 4.7788 8.8800 116.4538 61.4709 71.3968 173.5578 201 D 4.9776 9.0116 123.2489 53.9505 42.4450 175.5839 202 E 4.9833 8.4011 120.5904 53.5962 31.7278 175.3249 203 P 4.2910 0.0000 0.0000 65.2317 31.2480 178.2543 204 E 3.9909 8.1064 118.1652 59.1073 29.6325 178.3580 205 E 3.9781 8.1984 118.7539 58.9087 29.4586 179.5453 206 V 2.8231 7.3825 118.1877 65.6730 31.6090 178.0991 207 V 3.4647 7.4662 117.6987 65.8990 31.3608 177.8951 208 Q 3.9877 8.3191 117.7604 58.9398 28.3966 178.4427 209 A 4.1060 7.6800 120.1613 55.5303 18.7387 179.3362 210 L 4.5386 7.8683 118.3949 57.5305 41.4481 179.9951 211 K 4.2603 8.3285 117.2455 59.3218 32.0460 178.6064 212 A 4.3840 7.9257 117.2971 52.8237 18.1918 177.2139 213 E 4.2812 8.3587 124.7840 56.9947 30.6021 175.5896 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 P 0.00 4.38 0.00 2.07 2.05 0.00 3.66 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 1.93 2.09 0.00 3 K 8.56 3.90 0.00 1.81 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.55 7.81 4 K 9.13 4.43 0.00 1.83 1.78 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 5 P 0.00 4.41 0.00 2.47 2.01 0.00 3.75 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 2.14 2.10 0.00 6 L 8.70 4.01 0.00 1.80 1.89 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.25 3.93 2.03 0.00 0.00 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 1.97 1.30 1.02 0.00 0.00 8 D 7.76 4.58 0.00 2.85 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 9 Q 7.96 4.28 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 10 L 7.28 4.58 0.00 1.82 1.62 0.99 1.06 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 11 H 8.45 5.05 0.00 3.17 3.17 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 H 9.14 4.23 0.00 3.27 3.45 0.00 5.53 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.10 3.85 0.00 1.87 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 2.28 2.33 0.00 14 D 7.77 4.79 0.00 2.78 2.69 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 15 S 7.91 4.27 0.00 3.70 3.71 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 16 W 8.27 4.51 0.00 3.45 3.27 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 17 R 8.12 4.11 0.00 2.42 2.23 0.00 3.21 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 18 L 8.19 3.99 0.00 1.76 1.58 0.87 0.88 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 19 F 8.64 4.19 0.00 3.44 3.25 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 0.00 20 R 8.34 4.15 0.00 2.17 2.20 0.00 3.23 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.94 0.00 21 I 7.57 3.51 1.92 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.25 1.00 0.00 0.00 22 L 7.92 4.20 0.00 1.83 1.75 0.48 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.34 4.10 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 24 E 7.85 3.82 0.00 2.24 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 0.00 2.06 2.23 0.00 25 F 7.88 3.64 0.00 3.30 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 26 V 7.91 3.73 2.30 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 1.12 0.00 0.00 1.10 0.00 0.00 27 E 8.58 4.06 0.00 2.09 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 2.34 2.36 0.00 28 G 8.14 3.58 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 0.00 0.00 0.00 29 F 8.31 4.98 0.00 3.34 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.00 0.00 2.16 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 2.74 0.00 31 T 7.80 3.82 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 1.16 0.00 0.00 32 L 7.99 4.02 0.00 1.50 1.48 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 S 7.63 3.51 0.00 3.89 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 34 E 7.69 3.99 0.00 2.07 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.85 4.75 0.00 1.58 1.37 0.81 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 119 R 9.29 3.75 0.00 1.40 1.35 0.00 3.02 0.00 0.00 2.85 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.18 0.00 120 Y 8.07 4.36 0.00 2.13 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 0.00 121 F 8.65 4.27 0.00 3.44 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.25 4.39 0.00 3.29 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 0.00 123 V 6.57 3.16 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -0.39 0.00 0.00 124 R 7.78 3.77 0.00 1.89 2.29 0.00 3.34 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.47 0.00 125 K 8.37 4.31 0.00 2.31 2.34 0.00 2.06 0.00 0.00 2.32 0.00 0.00 3.09 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.80 2.04 7.81 126 V 8.02 3.97 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 1.29 0.00 0.00 127 L 8.14 4.21 0.00 1.74 1.73 0.83 1.28 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 0.00 128 F 8.62 4.42 0.00 3.49 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 0.00 129 V 7.63 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 1.47 0.00 0.00 1.21 0.00 0.00 130 R 8.15 3.79 0.00 1.86 0.91 0.00 2.80 0.00 0.00 2.43 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 131 Y 7.69 4.73 0.00 3.10 2.94 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 0.00 0.00 0.00 132 A 7.85 4.29 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.20 4.36 2.18 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 0.84 0.00 0.00 1.07 0.00 0.00 134 G 7.16 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 0.00 0.00 0.00 0.00 135 F 8.82 5.22 0.00 3.14 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 0.00 136 V 9.30 5.03 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 0.96 0.00 0.00 0.87 0.00 0.00 137 F 9.85 5.49 0.00 2.74 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 0.00 138 L 8.89 5.35 0.00 1.67 1.69 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 3.16 0.00 1.77 0.49 0.00 3.63 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.53 0.00 140 G 7.55 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 0.00 0.00 0.00 0.00 141 G 7.88 4.08 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 0.00 0.00 0.00 142 F 9.07 4.58 0.00 3.03 2.95 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 0.00 143 G 8.33 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 0.00 0.00 0.00 144 T 7.93 3.51 4.39 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 1.71 0.00 0.00 145 L 8.15 3.99 0.00 1.92 1.85 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 146 D 8.79 4.22 0.00 2.74 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 0.00 147 E 8.00 3.76 0.00 1.34 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 2.23 2.29 0.00 148 L 7.60 2.72 0.00 0.37 1.37 -0.17 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.15 3.98 0.00 3.98 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 0.00 150 E 8.07 3.94 0.00 2.19 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 2.38 2.37 0.00 151 V 7.76 3.66 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 1.22 0.00 0.00 0.92 0.00 0.00 152 L 7.95 3.89 0.00 1.78 1.68 0.78 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 153 V 7.67 3.58 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 1.08 0.00 0.00 0.95 0.00 0.00 154 L 8.25 3.98 0.00 2.08 1.75 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.08 3.79 0.00 1.53 1.52 0.47 0.43 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 0.00 156 Q 8.43 3.95 0.00 2.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 157 T 8.01 4.32 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 1.22 0.00 0.00 158 E 8.20 3.74 0.00 2.06 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 2.21 2.21 0.00 159 K 8.59 4.28 0.00 1.70 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.52 7.81 160 V 7.16 4.55 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 161 H 8.54 4.33 0.00 3.35 3.42 0.00 5.53 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.34 3.93 0.00 1.82 1.82 0.00 3.25 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 163 F 7.31 5.12 0.00 3.08 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 0.00 164 P 0.00 4.46 0.00 2.14 1.85 0.00 3.91 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 2.49 2.25 0.00 165 V 7.95 5.17 2.33 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 1.18 0.00 0.00 1.19 0.00 0.00 166 F 9.70 5.48 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 9.04 4.82 0.00 1.16 0.13 -0.05 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 168 L 9.30 4.94 0.00 1.81 1.76 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 169 D 9.41 5.53 0.00 2.93 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 0.00 170 R 9.00 4.26 0.00 2.01 2.11 0.00 3.51 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 171 G 8.25 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 Y 8.15 3.95 0.00 3.08 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 0.00 173 W 8.93 4.37 0.00 3.60 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.72 3.60 0.00 2.35 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 2.33 2.48 0.00 175 G 8.17 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 0.00 0.00 0.00 176 L 7.93 4.09 0.00 1.85 2.01 1.15 1.07 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 0.00 177 V 8.09 3.73 2.38 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 1.19 0.00 0.00 1.06 0.00 0.00 178 R 8.49 4.04 0.00 2.22 2.07 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 179 W 8.61 4.29 0.00 3.48 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 L 8.60 3.90 0.00 2.07 1.81 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 181 A 8.09 4.03 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 0.00 182 F 8.36 4.18 0.00 3.09 3.04 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 0.00 183 L 7.84 3.42 0.00 1.61 1.41 0.42 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 184 R 7.84 3.78 0.00 1.81 2.01 0.00 3.04 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 185 D 7.75 4.25 0.00 2.59 2.57 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 0.00 186 Q 7.55 3.85 0.00 1.66 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.36 0.00 0.00 0.00 0.00 0.00 1.24 1.45 0.00 187 K 7.40 3.83 0.00 1.87 1.90 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.26 1.42 7.81 188 A 7.88 4.10 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 V 7.20 4.47 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 0.67 0.00 0.00 0.85 0.00 0.00 190 G 9.34 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 0.00 191 P 0.00 4.19 0.00 2.00 2.12 0.00 3.57 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 1.99 2.06 0.00 192 E 7.82 4.66 0.00 2.18 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 2.18 2.21 0.00 193 D 8.13 4.34 0.00 2.79 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 0.00 194 L 7.65 4.11 0.00 1.46 1.48 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 195 Q 7.16 4.06 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.03 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 196 L 7.32 4.05 0.00 1.74 1.71 0.81 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 197 F 7.04 5.18 0.00 2.81 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 R 9.28 4.70 0.00 1.54 1.75 0.00 3.18 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 199 L 8.51 5.36 0.00 1.68 1.68 1.11 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 200 T 8.88 4.78 4.38 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 1.35 0.00 0.00 201 D 9.01 4.98 0.00 2.79 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 0.00 202 E 8.40 4.98 0.00 2.16 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 0.00 2.25 2.41 0.00 203 P 0.00 4.29 0.00 2.15 2.08 0.00 3.61 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 204 E 8.11 3.99 0.00 2.04 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 2.38 2.41 0.00 205 E 8.20 3.98 0.00 2.18 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 2.36 2.34 0.00 206 V 7.38 2.82 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 0.25 0.00 0.00 0.65 0.00 0.00 207 V 7.47 3.46 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 1.15 0.00 0.00 0.95 0.00 0.00 208 Q 8.32 3.99 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 209 A 7.68 4.11 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 7.87 4.54 0.00 1.68 1.56 0.28 0.59 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 0.00 211 K 8.33 4.26 0.00 1.97 1.96 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.90 7.81 212 A 7.93 4.38 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 0.00 213 E 8.36 4.28 0.00 2.13 1.87 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 2.30 2.55 0.00 * Residues marked with a * may have inaccurate shift predictions.