NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3191 8.2644 123.5845 52.2245 19.8583 176.5323 3 N 4.6880 8.3601 118.5917 51.2162 38.3501 172.2009 4 L 4.3699 8.1562 121.5135 54.2325 44.0156 175.1963 5 L 4.8728 7.6999 121.1670 53.5341 43.6668 175.4510 6 S 4.7373 9.3654 121.3616 56.6463 64.5967 173.1173 7 T 5.0463 8.4024 117.4689 60.2177 70.0850 174.5805 8 C 4.4285 8.7137 121.1759 60.5822 28.6043 174.4061 9 T 4.1271 8.2993 114.0078 63.3126 68.9270 174.0596 10 S 4.5283 7.4137 114.7733 58.0064 65.3381 174.0481 11 E 4.3437 8.6887 119.1124 57.2684 29.8674 176.5691 12 S 4.7961 7.5325 111.1304 57.1625 67.2924 175.4620 13 G 3.9750 8.6495 107.7153 46.6251 0.0000 175.5007 14 N 3.9774 8.1050 113.5455 51.0684 37.4461 175.5581 15 I 3.9301 7.2629 115.6073 62.8439 39.6296 177.0811 16 Q 4.7439 7.4682 119.4953 54.2296 32.3190 174.3130 17 H 5.0949 8.7226 122.7667 53.5383 31.8669 171.2080 18 I 4.6947 8.8388 126.6076 59.1753 39.5984 174.9752 19 S 4.9825 9.1096 121.4149 55.6302 66.2904 173.3647 20 P 4.4310 0.0000 0.0000 66.2671 31.4622 179.0226 21 Q 3.9988 8.1867 116.1502 58.6368 28.7828 177.6451 22 N 4.5151 7.9627 115.3367 54.0179 37.9698 176.2497 23 A 3.8737 7.8189 122.3095 51.4513 19.1139 177.0955 24 G 3.8013 8.3281 104.8069 46.0536 0.0000 173.1388 25 W 5.2967 7.9255 117.1564 55.3619 30.6465 173.3239 26 E 4.5792 9.4995 115.2954 57.0141 31.1139 175.4817 27 Y 4.6188 8.7469 113.9034 59.4579 40.5135 175.9905 28 V 4.1484 8.1163 118.1569 62.7807 32.4278 174.8823 29 G 4.5809 9.3522 114.7488 43.6109 0.0000 171.6707 30 F 5.3895 9.5530 125.2268 56.6565 42.8076 172.8930 31 D 5.1111 8.5777 125.5090 52.2728 44.8273 174.9137 32 V 4.4119 8.1043 121.2002 60.7367 35.0013 174.1552 33 W 5.0723 9.3314 127.0163 54.9189 32.6058 174.0751 34 Q 4.9198 9.5358 127.0419 54.8421 29.8272 173.0592 35 L 5.2433 8.8800 132.2071 53.8756 45.6983 175.7044 *37 A 4.4218 8.6205 125.6890 54.4556 19.4799 176.8021 38 G 4.0483 9.2900 112.4520 45.1440 0.0000 173.7404 39 E 4.4378 7.8626 118.6387 56.2842 31.1157 175.7084 40 S 5.2548 8.3505 116.3380 57.0473 67.3030 173.2207 41 I 4.5020 8.3026 113.8911 59.4698 40.6728 174.5977 42 T 4.7032 8.1695 119.3452 61.8445 70.9692 173.4236 43 L 4.6345 9.0573 127.2270 52.8083 43.5126 174.8284 44 P 4.7705 0.0000 0.0000 62.2210 33.1231 175.8647 45 S 4.4828 8.5545 115.9514 58.4054 63.2659 172.0996 46 D 4.8713 8.1690 127.5599 52.6098 42.4804 175.6134 47 E 4.5838 8.9002 120.3690 57.0485 30.8681 175.8766 48 R 5.1542 8.4725 119.9915 54.3019 33.2178 175.4193 49 E 4.6900 8.7608 121.3177 55.9322 31.9005 175.4780 50 R 5.1580 8.6990 119.0129 54.7416 35.3217 174.0063 51 C 5.0813 8.9557 121.3377 57.7008 34.6027 173.0061 52 L 4.7357 9.0027 128.5532 54.0560 42.5980 176.1104 53 V 4.4398 8.9576 125.5596 61.1289 33.5881 174.9181 54 L 4.5011 8.7268 129.3109 53.9363 40.3863 176.8361 55 V 3.9020 8.5860 124.9296 65.6558 32.3831 176.2682 56 A 4.5700 8.0915 119.8527 52.2922 22.4895 176.8947 57 G 4.0905 9.2475 108.2040 45.8538 0.0000 172.1791 58 L 4.9967 8.4360 117.3924 52.8825 44.5162 176.1812 59 A 5.0579 8.5825 122.9220 50.6220 23.2411 174.9960 60 S 5.0333 8.8249 115.6308 56.9772 66.0701 173.7885 61 V 4.9056 8.3343 121.9267 61.1823 35.9714 173.5983 *63 A 4.4426 8.3702 122.2742 53.0982 20.4166 176.0466 64 A 3.5036 8.1853 125.7450 53.9678 17.7563 177.3014 65 D 4.8144 8.9518 118.0065 56.4903 40.8119 175.7058 66 S 4.6515 7.9937 115.6130 56.4671 65.1617 173.3072 67 F 5.0487 8.2056 125.4520 56.4719 42.0328 173.6704 68 F 4.5162 8.6926 125.5136 55.8987 40.8626 173.9500 69 Y 4.2004 8.3624 125.9455 56.2862 39.5142 175.7757 70 R 3.3216 7.5300 128.0322 56.8816 28.4383 175.9353 71 I 3.5654 7.4542 111.3244 60.1758 39.1702 174.7697 72 G 3.6022 6.9675 106.2521 45.2208 0.0000 172.0477 73 Q 4.6362 7.9161 119.3298 57.1052 36.9800 176.0571 74 R 4.6479 7.4752 113.5596 55.1717 30.8601 174.8230 *76 S 4.4601 8.3509 110.6653 57.6995 63.4979 173.7309 77 P 4.0462 0.0000 0.0000 65.5764 30.9260 177.6798 78 F 4.6093 7.7723 115.4306 58.2422 38.3797 176.1562 79 E 4.0873 8.2585 121.5844 57.2819 29.5061 177.2943 80 R 3.0034 7.7768 116.6266 57.1033 27.9371 175.9838 81 I 4.6164 7.5189 108.6402 57.9652 40.5715 173.3876 82 P 4.1769 0.0000 0.0000 62.4936 31.7629 176.2876 83 A 4.3735 7.9262 123.1009 52.2722 19.3232 176.7500 84 Y 4.4810 8.6739 117.0331 57.6773 39.8368 175.0024 85 S 5.1656 8.8678 117.7194 57.1613 68.3979 173.0420 86 V 4.5773 8.6180 121.3526 61.2335 34.3196 173.7591 87 Y 4.7327 8.9527 130.1137 57.0469 40.2333 173.8316 88 L 4.5338 8.1721 126.7674 51.9312 44.7322 174.8510 89 P 4.8282 0.0000 0.0000 61.6164 32.7198 175.2955 90 H 4.8261 8.5482 115.7334 55.0394 29.7190 174.1764 91 H 4.2876 8.9813 112.5181 56.5417 26.4009 176.0439 92 T 4.4178 7.6933 115.7053 61.1681 69.8294 173.4362 93 E 4.2395 8.5911 126.8772 56.2324 30.9131 176.2269 94 A 4.4324 8.4571 126.4139 50.8742 23.0892 174.1325 *96 V 4.1839 8.3139 113.2144 63.5803 33.2142 175.7683 97 T 5.0619 8.6386 124.6380 61.4893 71.2215 173.5811 98 A 4.2931 9.0436 129.4715 52.1905 18.7126 177.8133 99 E 4.2972 9.0985 123.7277 58.2635 30.6445 176.3148 100 T 4.7506 7.4895 107.2459 59.0676 72.3369 173.4191 101 D 4.7221 8.6486 120.2497 55.1573 42.0541 175.8990 102 L 4.9341 9.2019 123.9626 53.3321 46.1209 174.6015 103 E 5.0628 9.3976 127.7351 54.7113 31.4171 173.8149 104 L 5.1793 9.1022 130.2286 53.1670 44.8389 174.6370 105 A 4.8230 9.1187 128.6646 50.3206 21.3889 175.6561 106 V 4.4968 8.7058 123.4199 61.4493 33.6146 173.9952 107 C 5.1415 8.9883 127.4006 58.5570 29.7280 173.3868 108 S 5.3302 9.2385 117.8099 57.0402 66.6825 172.6131 109 A 5.0713 8.3791 120.6701 51.0878 23.2053 173.8344 110 P 4.6127 0.0000 0.0000 63.1087 31.9231 176.5148 111 G 4.2214 8.9373 111.4391 44.5528 0.0000 173.0819 112 F 4.8665 8.8124 115.4414 56.1172 41.1157 174.8060 113 G 4.2028 7.7420 110.5468 44.5700 0.0000 173.0939 114 E 4.8183 8.3942 117.0008 55.8159 30.1930 175.8427 115 L 4.1832 8.1039 118.6817 55.1635 42.3741 175.4362 116 P 4.6604 0.0000 0.0000 61.6819 32.5524 175.9935 117 V 4.1381 8.2429 119.3960 63.8420 31.8902 175.2629 118 R 4.9264 8.8925 122.5046 54.6247 33.2028 173.8227 119 L 4.1098 8.5937 123.2817 55.1183 43.2812 176.6210 120 I 4.4083 8.7399 127.9692 59.5334 38.1371 175.6594 121 S 4.1843 8.8888 122.5135 56.0636 64.6234 174.0086 122 P 3.9666 0.0000 0.0000 65.8698 31.0053 179.0055 123 Q 4.0032 7.3897 114.8630 58.1407 28.6201 176.8013 124 E 4.3388 8.0297 115.7868 55.9738 29.9797 175.5333 125 V 4.1759 7.2649 120.5336 61.3483 32.7097 175.6982 126 G 3.7570 8.4917 116.5749 46.1417 0.0000 172.2024 127 V 5.0354 8.3506 126.1025 61.2691 33.1775 174.6061 128 E 4.8160 9.2513 124.8525 55.3313 33.5862 173.5693 129 H 5.3032 8.8292 117.9950 54.3025 30.8485 173.6123 130 R 4.4576 8.8551 124.4071 55.2405 32.1162 176.7491 131 G 3.8716 8.7200 111.8745 46.3428 0.0000 172.3707 *133 G 4.0155 8.4644 111.1789 45.5913 0.0000 174.2638 134 R 4.2461 9.1132 125.8110 56.9642 30.2995 176.4688 135 N 5.0386 7.9502 114.8932 53.0420 39.9911 173.3005 136 Q 5.2514 7.7884 119.0137 55.6588 29.6287 175.0132 137 R 4.9481 8.6352 124.9319 54.2913 34.3650 174.2600 138 L 4.8722 8.3324 123.1949 53.8201 43.9899 175.3499 139 V 4.6933 8.9784 125.9926 61.3804 34.8934 173.7170 140 H 5.1455 9.0737 125.3875 54.3652 30.7674 173.2800 141 N 5.0042 9.3593 123.4801 52.3615 37.2557 176.3112 142 I 3.5959 8.1216 123.7899 63.6734 38.0450 176.6812 143 L 4.7217 8.0684 124.7317 53.0902 42.6632 173.5046 144 P 4.8918 0.0000 0.0000 61.0021 33.0304 177.5996 145 D 4.5021 8.4406 117.1755 55.1397 39.4220 177.0704 146 S 4.4061 7.9316 113.2654 58.8279 63.7132 173.4360 147 Q 4.5947 7.5397 119.7824 53.9272 31.2464 174.6531 148 L 4.2064 7.9896 119.0660 54.0589 42.4767 176.4295 149 A 4.0700 7.6340 123.6422 51.5080 21.7213 175.9117 150 D 4.3539 9.3208 120.7975 56.9720 41.0877 178.0935 151 S 4.5253 8.7492 111.1658 59.8142 66.8641 175.0542 152 L 4.1242 8.2600 118.9666 54.7376 41.5996 176.2212 153 L 4.9372 8.3047 121.8686 52.9294 45.4734 175.5540 154 V 4.8745 8.6332 123.4486 61.0949 35.0656 174.4971 155 V 4.9265 8.4393 126.0645 60.0662 35.2450 173.4573 156 E 4.7783 8.8555 119.8606 54.4775 32.7665 174.8192 157 V 4.5815 7.6424 121.3686 61.1792 35.5877 173.4787 158 Y 4.8670 8.8988 124.8828 56.5237 40.6097 174.7315 159 T 4.7789 8.6541 121.4917 61.5577 71.3736 173.6771 160 N 5.0555 8.8623 124.1584 52.5977 40.2231 174.5747 161 A 4.0508 8.8798 124.2668 54.2543 18.3218 176.3503 162 G 4.1443 9.0231 113.9891 46.0577 0.0000 174.4800 163 A 4.4173 8.0253 121.5648 52.0056 19.8071 176.3011 164 T 5.0124 8.6785 116.8469 61.8690 70.6752 174.1759 165 S 4.9099 8.8391 119.6489 56.0125 67.4415 173.4671 166 S 4.1082 8.9219 112.1088 58.6584 60.2986 172.2184 167 W 5.3605 8.0721 126.4974 55.0847 33.7422 172.0077 168 P 2.9700 0.0000 0.0000 61.8559 31.6088 175.9481 169 A 4.2347 7.7691 124.2454 53.5362 19.5233 176.3313 170 H 6.0236 8.5491 117.3463 52.8988 32.3913 171.8565 *172 H 4.9414 8.3604 108.2475 56.2498 28.6791 172.7958 173 D 4.9194 9.2144 118.0383 53.6202 40.9653 176.6766 174 T 4.7672 7.7641 115.4892 62.0645 72.6959 173.3781 175 A 4.2339 8.8276 127.9477 52.1567 18.9306 177.2908 176 V 4.1590 8.6599 122.8533 61.2625 33.9446 174.3562 177 E 3.8949 8.8647 128.1955 57.9034 29.5157 177.4979 178 G 3.9457 8.9424 113.2917 45.9736 0.0000 173.1918 179 Q 4.2807 8.4875 117.1100 56.7849 31.3361 175.3110 180 E 4.8298 7.6511 116.4838 54.8482 33.2741 173.7543 181 T 4.9484 8.2307 114.4784 59.7763 72.1160 172.7738 182 Y 4.4783 8.4436 124.2324 57.2858 40.0612 174.2066 183 L 4.5400 8.3749 127.0817 52.7920 45.0398 176.4491 184 E 3.5666 7.8029 124.2024 56.1883 30.0502 176.4782 185 E 4.8832 8.0097 122.8457 54.8587 33.0680 174.4420 186 T 5.0932 8.7365 116.4375 60.1947 72.2682 172.5367 187 Y 4.7075 9.0194 121.0155 56.3164 41.3889 173.8481 188 Y 5.2027 8.7105 126.0389 56.4353 40.9226 173.9366 189 H 5.2909 9.0237 124.7503 54.6676 31.2603 174.7962 190 R 5.1883 8.7266 119.8658 54.6330 34.5424 174.2155 191 F 5.5296 9.3614 119.2446 55.8539 43.7936 173.6929 192 N 4.8189 8.7034 119.8603 51.0155 41.1728 172.4207 193 P 4.7276 0.0000 0.0000 61.7048 32.1363 175.8253 194 P 4.6942 0.0000 0.0000 64.8547 31.3538 177.1441 195 Q 4.2588 8.1363 115.5077 56.3141 28.8973 175.8526 196 G 2.2568 6.9606 108.1931 44.8357 0.0000 172.1743 197 F 4.1285 6.5426 112.9359 54.8256 41.1049 172.7498 198 C 4.9184 8.3498 112.9121 56.4837 34.0470 172.4018 199 L 5.0198 8.8864 119.0733 53.0737 43.6521 175.5223 200 Q 4.9914 8.6606 125.2230 54.0914 32.0438 173.7793 201 R 4.8565 8.7166 126.4485 54.5399 33.0434 174.1418 202 V 5.0848 9.0328 127.2783 61.4624 33.5883 173.8653 203 Y 5.5793 8.9828 125.5415 56.1449 41.7913 174.2047 204 T 4.6008 8.7858 111.5798 60.2275 71.2198 175.2969 205 D 4.6422 9.0666 122.5369 57.7971 40.8521 177.7696 206 D 4.5836 8.1815 114.6012 53.0936 39.8743 176.5772 207 R 4.1858 8.2224 117.6792 57.2219 28.3111 177.3991 208 S 4.2532 8.6764 115.0936 60.1930 63.3532 174.1217 209 L 4.7075 7.6752 123.4850 53.2536 44.4166 175.4243 210 D 5.2659 8.6058 124.3587 53.8016 42.8129 172.8162 211 E 4.7500 9.5710 124.5730 54.2860 32.8638 174.8529 212 C 5.3609 8.9354 123.5473 56.6401 34.8069 172.5954 *214 A 4.1982 8.2911 122.1510 51.8501 19.2695 176.0697 215 V 4.3623 8.9018 123.3666 62.0072 33.7881 174.8753 216 Y 4.8255 9.2334 125.3203 55.4811 41.5475 174.5542 217 N 4.6844 8.9800 118.5629 55.9595 39.0016 174.6293 218 R 3.9053 9.1720 123.6190 56.6312 28.4766 176.1014 219 D 4.9716 8.1685 118.5547 54.2202 42.5845 175.3302 220 V 4.9192 8.8215 121.0234 61.5930 34.3984 175.0315 221 V 4.7928 8.3832 127.5514 60.4529 34.9776 174.1114 *223 V 4.2656 8.2033 117.7848 62.7690 31.3827 174.7221 224 P 4.5337 0.0000 0.0000 64.0417 32.1023 176.6564 *226 G 3.4151 7.6282 106.8496 45.1194 0.0000 171.5864 227 Y 4.8890 7.8353 116.5494 57.2333 38.8552 176.7198 228 H 5.8900 8.0862 116.7007 53.9603 27.5033 171.6842 229 P 4.9145 0.0000 0.0000 63.3220 33.5420 176.4432 230 V 4.6351 8.8658 121.3738 61.2369 33.9147 174.0469 231 A 4.9170 9.1427 131.2003 50.5185 20.5135 176.3043 232 T 4.6646 8.2514 113.0735 61.5111 70.9642 174.2397 233 I 4.4820 7.9848 121.9666 58.8810 40.0946 175.2104 234 A 4.0242 8.6505 128.7914 54.2966 18.4550 177.3108 235 G 3.5623 9.1173 111.0679 44.6174 0.0000 172.5951 236 Y 4.8903 7.2458 115.9240 55.9357 39.7655 175.5515 237 D 4.6898 9.0158 125.2410 54.3422 42.3768 175.3310 238 N 5.5433 9.2752 120.2225 52.1290 42.5899 172.4568 239 Y 4.8908 8.5645 124.0829 56.0027 42.7632 173.3662 240 Y 5.3682 7.0648 122.1825 54.6968 42.1915 173.2413 241 L 4.6465 8.2506 123.4033 53.5415 44.4369 174.4530 242 N 5.6953 8.9688 123.8056 50.7343 41.6268 174.0023 243 V 4.9791 7.6853 121.0492 59.8408 35.8173 173.7925 *245 A 4.2042 8.3444 123.0970 52.3409 19.7711 176.6653 246 G 3.5597 7.4987 105.0138 45.2509 0.0000 172.2323 247 P 4.3090 0.0000 0.0000 64.3844 31.5886 175.9675 248 L 4.4897 7.0438 117.3496 52.7907 43.8180 175.6831 249 R 3.8760 8.5125 127.1232 55.2409 29.4554 175.7087 *251 W 4.7284 8.2302 135.0000 57.1828 30.6675 173.6077 252 R 4.0888 8.2755 123.1422 53.6839 32.2551 175.0818 253 F 5.1578 6.9278 116.3601 55.2529 41.8526 173.8207 254 T 4.5849 8.2657 114.7571 61.4400 71.4438 173.7239 255 W 5.0718 8.8312 125.9150 55.9345 30.3389 175.9947 256 E 3.9572 9.1048 127.3469 56.2236 29.3194 178.2460 257 E 4.0530 8.9929 125.7129 61.4629 29.5955 175.8781 258 N 4.6429 8.1043 115.6744 55.5318 38.9212 175.9577 259 H 4.7446 7.5014 115.2189 55.3558 29.4656 176.1146 260 A 3.4922 7.6013 124.2628 54.5209 17.9858 179.6795 261 W 4.2070 8.2039 114.8018 59.7902 27.6520 178.3345 262 I 2.8560 6.1003 119.5548 63.5485 36.3110 177.6341 263 N 4.2039 7.2300 116.9422 55.7591 38.2934 175.2105 264 S 4.2629 7.4908 120.4223 58.7125 62.9629 173.8289 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 A 8.26 4.32 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 3 N 8.36 4.69 0.00 2.71 2.68 0.00 0.00 6.98 6.89 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 4 L 8.16 4.37 0.00 1.75 1.69 0.95 0.49 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 5 L 7.70 4.87 0.00 1.64 1.56 1.03 0.85 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 6 S 9.37 4.74 0.00 3.85 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 7 T 8.40 5.05 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 8 C 8.71 4.43 0.00 3.05 3.12 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 9 T 8.30 4.13 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 1.19 0.00 0.00 10 S 7.41 4.53 0.00 3.94 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 11 E 8.69 4.34 0.00 2.00 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 0.00 2.29 2.30 0.00 12 S 7.53 4.80 0.00 3.96 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.65 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 14 N 8.11 3.98 0.00 1.44 2.03 0.00 0.00 7.44 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.26 3.93 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.41 0.97 0.00 0.00 16 Q 7.47 4.74 0.00 1.72 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 17 H 8.72 5.09 0.00 3.05 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.84 4.69 2.10 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.92 0.88 0.00 0.00 19 S 9.11 4.98 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.43 0.00 2.30 2.51 0.00 3.69 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.63 0.00 21 Q 8.19 4.00 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 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0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 135 N 7.95 5.04 0.00 2.70 2.81 0.00 0.00 6.99 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 0.00 136 Q 7.79 5.25 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.45 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 137 R 8.64 4.95 0.00 1.81 1.87 0.00 3.26 0.00 0.00 3.52 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 138 L 8.33 4.87 0.00 1.73 1.49 0.71 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.98 4.69 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 0.94 0.00 0.00 0.91 0.00 0.00 140 H 9.07 5.15 0.00 3.10 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 9.36 5.00 0.00 2.63 2.70 0.00 0.00 6.70 7.19 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 0.00 142 I 8.12 3.60 1.83 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.55 2.00 0.00 3.69 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 2.05 2.03 0.00 194 P 0.00 4.69 0.00 2.26 2.27 0.00 3.43 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.97 0.00 195 Q 8.14 4.26 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 196 G 6.96 2.26 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 0.00 197 F 6.54 4.13 0.00 2.06 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 0.00 198 C 8.35 4.92 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 0.00 199 L 8.89 5.02 0.00 1.58 1.61 0.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 200 Q 8.66 4.99 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.85 0.00 0.00 0.00 0.00 0.00 2.15 2.37 0.00 201 R 8.72 4.86 0.00 1.91 1.81 0.00 2.90 0.00 0.00 2.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.53 0.00 202 V 9.03 5.08 2.13 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 1.06 0.00 0.00 0.92 0.00 0.00 203 Y 8.98 5.58 0.00 3.19 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 0.00 204 T 8.79 4.60 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 1.20 0.00 0.00 205 D 9.07 4.64 0.00 2.81 2.93 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 0.00 206 D 8.18 4.58 0.00 2.83 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 0.00 207 R 8.22 4.19 0.00 2.07 2.14 0.00 3.58 0.00 0.00 3.71 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 208 S 8.68 4.25 0.00 4.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.68 4.71 0.00 1.76 1.58 0.97 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 210 D 8.61 5.27 0.00 2.79 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 0.00 211 E 9.57 4.75 0.00 1.90 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 212 C 8.94 5.36 0.00 2.94 2.79 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 *214 A 8.29 4.20 1.08 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 0.00 215 V 8.90 4.36 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 1.01 0.00 0.00 0.90 0.00 0.00 216 Y 9.23 4.83 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 N 8.98 4.68 0.00 3.10 2.95 0.00 0.00 7.04 7.65 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 0.00 218 R 9.17 3.91 0.00 2.14 2.37 0.00 3.34 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 219 D 8.17 4.97 0.00 2.88 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 0.00 220 V 8.82 4.92 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 0.94 0.00 0.00 1.38 0.00 0.00 221 V 8.38 4.79 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 1.13 0.00 0.00 0.98 0.00 0.00 *223 V 8.20 4.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.91 0.00 0.00 224 P 0.00 4.53 0.00 2.45 2.54 0.00 3.95 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 *226 G 7.63 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 0.00 0.00 0.00 227 Y 7.84 4.89 0.00 1.63 2.47 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 0.00 228 H 8.09 5.89 0.00 2.94 3.21 0.00 5.14 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 0.00 229 P 0.00 4.91 0.00 2.16 2.67 0.00 4.33 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 2.26 2.24 0.00 230 V 8.87 4.64 2.26 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 1.13 0.00 0.00 0.75 0.00 0.00 231 A 9.14 4.92 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 0.00 232 T 8.25 4.66 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 1.36 0.00 0.00 233 I 7.98 4.48 1.66 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 0.96 0.32 0.66 0.00 0.00 234 A 8.65 4.02 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 0.00 235 G 9.12 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 236 Y 7.25 4.89 0.00 2.79 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 0.00 237 D 9.02 4.69 0.00 2.68 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 0.00 238 N 9.28 5.54 0.00 2.87 2.86 0.00 0.00 6.54 7.10 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 0.00 239 Y 8.56 4.89 0.00 2.25 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 0.00 0.00 0.00 240 Y 7.06 5.37 0.00 2.65 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 0.00 241 L 8.25 4.65 0.00 1.84 1.72 0.96 0.88 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 0.00 242 N 8.97 5.70 0.00 2.31 2.35 0.00 0.00 6.26 7.67 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 0.00 243 V 7.69 4.98 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 1.17 0.00 0.00 0.99 0.00 0.00 *245 A 8.34 4.20 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 G 7.50 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 P 0.00 4.31 0.00 2.20 2.30 0.00 3.87 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 248 L 7.04 4.49 0.00 1.58 1.54 0.92 0.91 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 0.00 249 R 8.51 3.88 0.00 1.83 1.87 0.00 3.35 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 *251 W 8.23 4.73 0.00 3.17 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 252 R 8.28 4.09 0.00 1.82 1.67 0.00 3.00 0.00 0.00 3.06 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.41 0.00 253 F 6.93 5.16 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 T 8.27 4.58 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 1.29 0.00 0.00 255 W 8.83 5.07 0.00 3.43 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 0.00 256 E 9.10 3.96 0.00 1.16 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 2.09 1.87 0.00 257 E 8.99 4.05 0.00 2.01 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 1.98 0.00 258 N 8.10 4.64 0.00 2.50 2.79 0.00 0.00 6.77 8.16 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 0.00 259 H 7.50 4.74 0.00 2.57 2.55 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 260 A 7.60 3.49 1.25 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 0.00 261 W 8.20 4.21 0.00 3.60 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 262 I 6.10 2.86 1.05 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.53 0.00 0.00 263 N 7.23 4.20 0.00 2.24 2.45 0.00 0.00 7.03 7.71 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 0.00 264 S 7.49 4.26 0.00 3.96 3.78 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 * Residues marked with a * may have inaccurate shift predictions.