NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4615 8.5598 114.6989 58.3720 63.7702 172.5015 3 F 4.9252 7.9365 120.3695 55.5604 41.4309 171.0238 4 I 4.7970 9.2386 122.3900 59.4644 40.4544 175.6419 5 A 5.1923 8.8713 128.5475 50.4442 21.2585 175.5730 6 I 4.8675 9.1056 123.8423 59.5469 40.2917 174.8305 7 I 5.3937 8.8145 128.3165 58.1243 39.2791 173.2006 8 P 4.7957 0.0000 0.0000 62.5328 32.1222 175.8118 9 A 4.8618 9.3166 126.6957 49.7511 19.5452 173.0509 10 R 4.4322 8.2324 119.8979 56.1085 30.2175 175.4916 11 Y 4.0398 9.4616 128.1780 60.4071 39.1638 175.7257 12 A 4.5110 7.9818 122.1304 51.7977 19.1905 176.4659 13 S 4.6306 8.1326 116.4328 57.1560 65.5390 174.2771 14 T 4.1217 8.5979 117.9000 64.1651 69.1150 175.8594 15 R 4.2388 7.8850 117.1301 57.3200 30.5524 176.4506 16 L 4.7004 7.5748 117.2349 51.3027 41.8962 173.8349 17 P 4.1436 0.0000 0.0000 63.8355 32.4784 176.6903 18 G 2.5697 7.5205 108.8755 45.3543 0.0000 175.8152 19 K 3.6912 7.9617 121.4743 58.8220 32.2299 176.5053 20 P 4.2145 0.0000 0.0000 65.0390 31.2567 176.9695 21 L 4.4147 7.6943 115.1985 53.9009 41.9021 176.2864 22 A 3.8978 7.9189 123.9348 52.2729 18.5078 176.9050 23 D 4.6013 8.6995 123.3281 54.4864 41.9495 175.5511 24 I 4.3105 8.7816 126.9834 60.0231 39.1304 175.2573 25 A 3.5149 9.9010 130.1946 53.0823 15.9071 177.8231 26 G 4.0645 8.9562 108.5480 46.2410 0.0000 174.5378 27 K 4.7836 7.9312 118.8325 53.5015 36.7319 175.6323 28 P 5.3827 0.0000 0.0000 61.7515 30.5730 179.4766 *30 V 4.0741 8.4142 113.1204 61.4238 33.0622 178.0196 31 V 3.7183 7.7515 119.4932 65.8414 32.0009 176.8812 32 H 4.3357 8.2774 116.9027 58.9484 28.7871 178.6655 33 V 4.0808 7.3916 117.3400 62.9886 30.7245 177.5887 *35 E 4.3112 8.3259 119.5367 56.0694 31.7414 178.6852 36 R 3.9323 8.0061 117.0863 58.9894 29.8221 178.7630 37 A 4.0639 8.1471 120.0338 55.2584 18.6851 179.3184 38 L 4.0214 7.9253 116.6224 58.0100 41.5919 179.5546 39 A 4.1322 8.1984 119.5934 54.5974 18.3448 179.3248 40 S 4.3578 7.7385 111.7417 59.8291 63.2422 175.2999 41 G 3.9527 7.9633 110.2810 44.8328 0.0000 173.5561 42 A 2.5993 6.8983 120.9351 52.1357 18.6152 178.2500 43 D 4.4618 8.5573 121.9220 56.7583 42.1526 176.7663 44 R 4.6179 7.4956 115.6144 54.3914 35.0173 174.4309 45 V 4.7728 8.2825 121.1608 61.2907 34.4329 174.5795 46 I 4.7590 8.8757 128.6624 59.5052 40.8452 174.6876 47 V 4.4880 8.6714 127.3253 62.0372 33.3027 174.4059 48 A 5.2718 8.9591 130.0101 50.6717 20.9065 175.1929 49 T 5.1187 9.1740 116.4651 59.3602 71.5424 173.4582 50 D 5.2055 8.6910 123.5337 53.1482 40.7644 175.3997 51 H 4.6254 8.0108 117.8395 53.2749 33.1228 172.5470 52 P 4.3059 0.0000 0.0000 65.9202 30.8854 178.3954 53 D 4.4102 8.1750 118.6852 57.1517 40.8311 178.5328 54 V 3.6552 7.8515 118.4989 65.7393 31.4334 178.1324 55 V 3.5890 7.7414 117.6246 65.9430 31.4155 177.6393 56 K 3.8687 7.9836 118.7620 59.5507 32.1770 178.4592 57 A 4.0146 8.1932 121.0408 55.2379 18.2133 179.8615 58 V 3.5818 8.0287 116.7530 66.1848 31.6035 178.1035 59 E 4.0910 8.5102 118.3536 59.4537 29.0451 179.2545 60 A 4.0304 8.0054 119.7469 54.5470 18.5218 178.5896 61 A 4.3328 7.6375 116.5926 52.1828 18.6698 177.8625 62 G 3.7777 8.2071 105.9156 45.8983 0.0000 173.8644 63 G 4.2264 7.9627 105.9755 44.0826 0.0000 173.9866 64 E 4.7075 8.5604 120.1077 55.9759 31.0963 176.2303 65 V 5.0717 8.2268 121.1968 60.6455 34.7755 172.9371 66 C 4.8127 9.4335 123.9791 57.5231 34.2950 172.1708 67 L 4.9799 8.5316 128.9473 54.3917 42.3388 176.0108 68 T 4.5956 8.6716 117.4153 61.3344 69.8280 175.0587 69 R 4.3884 9.0163 120.4151 55.8789 31.8513 176.1315 70 A 4.7378 7.4825 119.7457 50.2009 21.6500 176.7979 71 D 4.6267 8.1701 120.8902 53.0692 39.3022 175.0197 72 H 4.2307 8.0717 118.1987 55.8310 29.4166 176.8436 73 Q 4.1191 8.7955 124.3110 58.5988 29.1489 176.6879 74 S 4.6577 7.7043 110.7431 55.9614 66.1680 176.1954 75 G 3.6217 8.6096 108.6084 48.2507 0.0000 176.3089 76 T 3.7560 7.8109 117.5488 66.3946 68.5306 176.5156 77 E 3.9265 8.2986 120.7010 59.1368 29.5305 179.3124 78 R 3.4307 7.8056 118.7364 59.1581 30.0828 178.5668 79 L 3.9868 7.9689 118.6052 57.7311 41.6123 179.2143 80 A 3.9421 8.0597 120.7712 55.2110 18.2714 179.3006 81 E 3.8719 8.0621 117.6216 59.3828 29.6603 179.2960 82 V 3.7021 7.7098 118.1014 66.0244 31.6263 178.0636 83 I 3.8573 8.0678 119.7206 64.6362 36.7684 178.3336 84 E 4.0132 8.1448 118.1991 59.2150 29.3104 178.5982 85 H 4.0943 7.9414 117.9048 59.2174 30.0839 176.3799 86 Y 3.9609 7.7291 115.7812 57.1987 38.3819 175.3168 87 G 3.7742 7.6401 107.7287 46.4198 0.0000 174.3645 88 F 4.6723 7.7493 116.1338 56.9912 40.1166 175.7933 89 A 4.4278 8.7031 126.0674 51.5927 19.3611 178.5355 90 D 4.5528 8.8356 119.7679 57.7399 40.9651 178.6456 91 D 4.6800 7.9848 115.7936 55.3748 41.5580 176.2725 92 D 4.5652 8.0908 120.8137 54.3648 42.1884 175.2454 93 I 4.8643 8.3077 122.8877 60.0114 39.5415 174.5216 94 I 4.9498 8.9655 127.7027 59.4788 40.5474 174.4647 95 V 4.7451 9.2619 127.2873 61.1667 32.5351 173.9495 96 N 5.2712 9.2982 127.5869 52.6680 40.0771 173.7645 97 V 4.5483 8.7052 128.3551 60.8304 33.6599 174.9174 98 Q 4.3950 8.7819 128.1003 55.9643 29.2882 177.9525 99 G 3.8346 8.9001 112.9659 47.2263 0.0000 173.5468 100 D 4.9415 8.0181 119.3212 53.1193 40.4332 176.1089 101 E 4.8775 7.6951 117.9874 54.9201 29.2478 175.2056 102 P 4.4155 0.0000 0.0000 64.5739 32.1008 177.9542 103 L 4.5812 7.6743 118.0278 54.1196 41.9320 176.4275 104 V 3.5429 7.6418 119.0134 61.6596 31.5019 174.2295 105 P 4.3940 0.0000 0.0000 61.5261 32.0619 175.2017 106 P 4.2899 0.0000 0.0000 65.9076 31.1103 178.8017 107 V 3.6714 7.8803 117.5014 64.8413 31.0848 178.1510 108 I 3.7780 7.8307 113.2193 63.1154 37.4774 178.4116 109 I 3.6105 7.6170 121.5999 64.3086 37.0048 178.0391 110 R 3.5196 7.8226 119.2464 59.1700 29.8211 178.0307 111 Q 3.8791 8.1068 119.8583 59.3706 28.9773 179.0652 112 V 3.4850 7.6563 119.7172 64.4982 31.3573 178.1140 113 A 3.6792 7.2935 121.4032 55.0145 18.1480 179.2654 114 D 4.2506 8.0175 117.5859 57.6282 40.9433 178.9697 115 N 4.2119 8.3537 117.2403 56.0018 38.2850 177.0790 116 L 3.8629 7.7432 120.6064 58.2659 42.2353 178.6934 117 A 4.0977 7.7458 119.0815 55.0222 18.3882 179.0997 118 A 4.1326 7.9259 118.3224 53.4398 18.8039 177.1828 119 C 4.5599 7.3165 111.7606 56.9846 31.6615 173.5829 120 S 4.4811 8.8904 112.7637 58.4125 63.1475 174.2882 121 A 4.4302 7.9098 124.2279 51.8667 19.6986 176.4875 122 G 4.0568 8.3558 104.0255 46.6529 0.0000 173.3148 *124 A 4.7196 7.9118 121.1036 52.2264 20.7238 176.4968 125 T 4.6589 8.6079 113.1877 61.4526 71.6550 171.9354 126 L 5.4436 8.2966 119.9314 53.1484 46.5025 175.5123 127 A 5.1452 8.9446 121.0016 50.7975 23.3072 175.4648 128 V 4.7594 8.7439 111.5974 58.6505 36.1978 173.9086 129 P 4.8149 0.0000 0.0000 62.9582 32.1301 175.8292 130 I 4.3979 8.2191 123.9218 59.9805 37.8046 175.7116 131 A 4.3899 8.8534 130.0771 52.8807 19.9948 177.5547 132 S 4.8657 7.6118 110.7334 56.4282 66.6164 175.4496 133 S 4.1326 8.5583 119.1425 61.3930 62.6133 176.3311 134 E 3.9107 8.0680 122.1926 59.0171 29.7320 177.9593 135 E 4.0326 8.0386 119.2531 59.2164 29.5841 178.2982 136 A 3.7374 7.7001 119.5283 54.8510 18.3291 178.6864 137 F 4.5948 7.9760 114.2100 55.6362 39.5137 175.3419 138 N 4.6729 8.2624 120.3499 51.6421 38.6484 173.7990 139 P 4.7044 0.0000 0.0000 64.1375 31.4920 177.0269 140 N 4.4085 8.6214 116.5416 55.1858 38.8168 175.0204 141 A 4.2483 7.9476 122.2736 51.0352 19.2372 176.8528 142 V 4.1373 8.3323 124.0911 62.5459 32.5706 175.3645 143 K 5.0937 9.1159 128.7587 55.9148 33.7069 176.5412 144 V 4.6692 8.3749 121.9023 60.0028 34.6390 174.5633 145 V 4.3562 8.1172 121.8503 61.0517 35.8073 173.5432 *147 D 4.5139 8.2544 120.6599 52.7508 40.2394 175.8140 148 A 3.9585 8.5531 120.5817 55.3108 18.3097 178.3707 149 Q 4.2327 8.2689 112.3551 55.8501 29.0165 176.7834 150 G 3.6945 8.1986 108.1718 45.1944 0.0000 173.5288 151 Y 4.5857 7.5211 117.4676 57.1749 38.5199 175.5425 152 A 4.1212 8.8136 128.0491 52.4461 19.0860 177.7677 153 L 4.2850 8.9763 123.8776 57.4279 42.4675 176.7765 154 Y 4.9710 7.1817 115.8988 56.8024 42.0229 172.7727 155 F 5.2769 8.2263 122.9365 55.9391 41.8276 174.5426 156 S 4.7450 9.0173 116.0685 57.5288 65.6168 174.8349 157 R 4.1897 9.5608 121.9945 56.9294 30.4735 177.0834 158 A 4.2326 7.7507 121.0290 52.0038 18.8294 178.1602 159 T 4.3772 8.3953 117.0741 62.2142 67.1919 173.6060 160 I 4.9123 8.0210 118.3229 57.8657 40.4256 174.3093 161 P 4.4537 0.0000 0.0000 61.8676 32.0859 175.7151 162 W 4.3156 8.7812 131.5705 57.3995 30.9711 176.6396 163 E 3.9259 7.4733 126.4647 54.8697 27.8479 177.1250 164 R 4.1755 8.1799 122.6626 59.4839 30.8524 177.4145 165 E 4.1112 7.9614 117.3909 59.3969 29.7223 179.0089 166 R 3.8608 7.8081 118.0763 59.7012 29.9321 177.9435 167 F 5.0443 8.1468 115.5506 58.4144 39.0586 177.0985 168 A 4.3187 7.8693 120.4360 54.5090 18.2585 178.6829 169 Q 4.2139 7.9554 115.3758 58.0432 29.2480 176.3495 170 S 4.5386 8.0576 110.1394 57.5995 65.7113 174.7599 171 K 4.2481 8.5067 126.4349 56.4359 32.1109 177.0901 172 E 4.2420 7.9144 119.9665 57.1358 30.1292 176.2760 173 T 4.7961 7.6714 111.7406 59.8950 70.6371 172.4303 174 I 5.0286 8.0688 117.7586 58.8793 40.8929 176.5181 175 G 3.9472 9.5718 111.4088 45.5248 0.0000 173.7953 176 D 4.8970 8.5860 121.8420 53.5117 39.6640 176.6038 177 C 4.3871 7.9903 113.2190 58.8116 30.8331 173.1234 178 F 4.7123 7.9044 120.2936 56.6209 40.6722 174.5961 179 L 5.2104 8.4479 121.4813 53.0011 45.7240 175.1066 180 R 4.9821 9.0604 124.4617 54.9847 31.9032 174.7511 181 H 4.8579 9.3648 128.0385 56.2005 30.3846 174.3422 182 I 4.2413 8.2372 119.6473 58.4370 39.6208 176.3052 183 G 3.6345 7.9249 113.4232 45.1210 0.0000 173.5508 184 I 4.3881 6.7498 118.3839 59.0348 40.8259 173.2740 185 Y 4.9437 8.0660 122.7848 56.1958 42.2008 173.9617 186 A 5.1633 8.6786 124.6591 50.4850 21.7989 175.3954 187 Y 4.9862 9.0462 117.3865 56.1198 43.1485 175.1107 188 R 4.6254 8.8405 121.4748 56.0317 31.0499 177.9448 189 A 4.2034 9.3846 125.8611 55.3803 18.4048 180.5729 190 G 3.6238 8.6730 104.7802 47.6097 0.0000 175.8465 191 F 4.0725 8.1825 122.5242 61.2227 39.6398 177.0354 192 I 3.4505 7.7814 119.2244 64.4640 36.6756 178.5122 193 R 3.8151 7.6362 117.5058 59.2897 30.0288 178.8327 194 R 3.7604 7.5430 117.8635 59.2758 30.0897 177.8289 195 Y 2.0000 7.3881 119.5963 59.9093 38.4300 178.3441 196 V 3.5174 7.0826 111.5407 63.4771 31.6757 177.4783 197 N 4.4280 7.1279 115.0970 53.4442 38.9723 175.3904 198 W 4.3344 7.0359 120.8456 55.7685 29.8296 176.2066 199 A 4.2678 8.3736 125.3084 51.1588 18.6376 175.7701 200 P 4.5688 0.0000 0.0000 62.8321 32.0402 177.0146 201 S 4.3771 8.9823 116.9512 57.0944 66.3679 175.3757 202 Q 3.9141 7.6477 121.9490 58.8070 28.4563 178.3839 203 L 3.8100 7.1939 121.1785 58.3656 41.9862 178.9180 204 E 4.0313 7.9245 116.9753 59.3985 29.2637 178.9472 205 Q 4.0671 7.6758 117.9915 58.1832 28.8223 178.2994 206 I 3.8474 7.4523 120.0603 64.5507 37.4739 177.7808 207 E 4.1108 7.9398 116.7734 56.3386 30.6347 176.6026 208 L 3.6295 7.8776 118.0432 55.3841 39.5212 176.2878 209 L 4.5038 7.1403 117.3874 52.9961 44.4753 177.3956 210 E 4.0777 8.7876 126.1015 58.8750 30.3514 178.7835 211 Q 3.9432 8.2066 117.8072 59.1262 28.5384 178.8635 212 L 4.2345 7.9401 119.3719 57.3517 41.4948 179.3707 213 R 4.1864 8.3899 119.6305 59.3361 29.9955 178.7256 214 V 4.2081 8.1928 117.9467 66.2382 31.6611 178.1152 215 L 4.3124 8.1670 118.3444 57.5350 41.3769 178.8050 216 W 4.3300 8.6045 127.7330 60.7903 30.5948 176.7014 217 Y 4.2406 7.4850 113.0741 57.5834 37.2237 176.0619 218 G 3.8033 7.9680 107.5227 45.8025 0.0000 173.4391 219 E 4.8595 8.0579 117.9556 54.4983 32.0365 175.6057 220 K 4.7242 8.5722 120.0656 55.2795 34.7256 176.2512 221 I 4.6536 8.2018 121.9555 59.8744 40.8816 174.1625 222 H 4.7343 9.0196 127.5187 55.7991 31.1703 173.9644 223 V 5.2578 8.4622 124.3814 60.0365 34.4520 174.3356 224 A 4.6986 8.1951 126.7220 49.8036 23.1700 175.2000 225 V 4.0635 8.3276 119.8722 62.5418 32.1130 175.8320 226 A 4.2354 8.9854 130.6039 52.4932 18.2365 178.0082 227 K 4.0501 9.2673 121.2458 58.2941 32.5067 177.4142 228 A 4.5722 7.4172 120.4015 50.2379 22.0348 175.5414 229 V 3.8716 8.2851 122.3570 61.3031 31.9385 174.0539 230 P 4.3986 0.0000 0.0000 61.9846 32.1276 176.1847 231 A 4.1579 8.2686 124.0921 51.7239 19.0646 177.4895 232 V 3.7771 8.0766 119.6982 62.6655 32.6163 178.1038 233 G 3.8278 8.2353 115.0874 45.1521 0.0000 173.5226 234 V 4.2379 7.8673 121.1316 61.4649 32.5823 175.3518 235 D 4.7789 9.0959 127.5815 54.5625 42.9049 177.6158 236 T 4.6581 7.5287 108.0463 59.4061 72.8027 174.7178 237 Q 3.9393 8.4655 121.9040 59.3272 29.0231 178.3182 238 S 4.0709 8.0462 113.6616 61.5743 62.4460 175.6746 239 D 4.3623 8.2155 121.4894 57.3760 40.4911 178.6205 240 L 3.9556 7.8365 120.7227 58.2982 42.0524 178.8328 241 D 4.3145 8.2990 118.9359 57.1569 40.7323 178.5943 242 R 3.8578 8.0615 119.3051 59.4854 29.8529 178.8311 243 V 3.5647 7.5650 116.7204 66.0679 31.6311 177.7884 244 R 4.0180 8.0187 116.6798 59.1808 30.1754 178.6161 245 A 4.1910 8.1742 120.5416 55.0327 18.5046 180.8360 246 I 3.8831 7.5615 116.7240 61.7010 37.0247 177.4245 *248 L 4.1671 7.6698 117.1154 53.5823 42.9959 176.1880 249 N 4.1521 7.8325 114.7844 54.9026 37.9011 174.1324 250 Q 4.2565 8.5057 120.4538 55.7518 29.0246 175.8404 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 S 8.56 4.46 0.00 3.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.94 4.93 0.00 3.29 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.24 4.80 1.60 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.54 0.74 0.00 0.00 5 A 8.87 5.19 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 6 I 9.11 4.87 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.22 1.00 0.00 0.00 7 I 8.81 5.39 1.91 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 1.39 0.92 1.01 0.00 0.00 8 P 0.00 4.80 0.00 2.12 2.03 0.00 3.76 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 9 A 9.32 4.86 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 10 R 8.23 4.43 0.00 1.89 1.90 0.00 3.28 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 11 Y 9.46 4.04 0.00 3.18 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 12 A 7.98 4.51 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.13 4.63 0.00 3.75 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 14 T 8.60 4.12 4.24 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 1.22 0.00 0.00 15 R 7.89 4.24 0.00 1.92 2.08 0.00 2.97 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 16 L 7.57 4.70 0.00 1.57 1.54 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.14 0.00 1.97 1.96 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 18 G 7.52 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 0.00 0.00 0.00 19 K 7.96 3.69 0.00 1.81 1.76 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.45 7.81 20 P 0.00 4.21 0.00 2.13 2.16 0.00 3.46 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 21 L 7.69 4.41 0.00 1.65 1.72 1.11 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.92 3.90 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 23 D 8.70 4.60 0.00 2.64 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 24 I 8.78 4.31 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.85 0.00 0.00 25 A 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0.00 136 A 7.70 3.74 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 0.00 137 F 7.98 4.59 0.00 3.03 3.01 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 0.00 138 N 8.26 4.67 0.00 3.04 2.82 0.00 0.00 6.91 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 0.00 139 P 0.00 4.70 0.00 2.25 2.21 0.00 3.46 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 140 N 8.62 4.41 0.00 2.85 2.93 0.00 0.00 6.88 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 0.00 141 A 7.95 4.25 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 V 8.33 4.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.99 0.00 0.00 143 K 9.12 5.09 0.00 2.02 1.91 0.00 1.54 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.74 1.61 7.81 144 V 8.37 4.67 1.79 0.00 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0.00 0.00 0.00 0.00 1.46 1.68 0.00 162 W 8.78 4.32 0.00 3.58 3.16 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 0.00 163 E 7.47 3.93 0.00 1.16 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 1.99 1.96 0.00 164 R 8.18 4.18 0.00 1.99 2.02 0.00 3.53 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 165 E 7.96 4.11 0.00 2.01 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 2.41 2.35 0.00 166 R 7.81 3.86 0.00 1.73 1.55 0.00 3.30 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 167 F 8.15 5.04 0.00 2.78 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 0.00 168 A 7.87 4.32 1.51 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 0.00 0.00 169 Q 7.96 4.21 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 170 S 8.06 4.54 0.00 3.85 3.68 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 0.00 171 K 8.51 4.25 0.00 1.28 0.74 0.00 1.56 0.00 0.00 1.23 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.80 1.28 7.81 172 E 7.91 4.24 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 173 T 7.67 4.80 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 174 I 8.07 5.03 2.10 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.94 0.93 0.00 0.00 175 G 9.57 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 0.00 176 D 8.59 4.90 0.00 2.77 2.76 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 0.00 177 C 7.99 4.39 0.00 2.78 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 0.00 178 F 7.90 4.71 0.00 2.97 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0.00 0.00 0.00 0.00 1.04 1.32 0.00 195 Y 7.39 2.00 0.00 1.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.08 3.52 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 0.81 0.00 0.00 0.85 0.00 0.00 197 N 7.13 4.43 0.00 2.47 2.82 0.00 0.00 7.01 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 0.00 198 W 7.04 4.33 0.00 3.04 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 0.00 0.00 0.00 0.00 199 A 8.37 4.27 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 P 0.00 4.57 0.00 2.06 2.02 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 201 S 8.98 4.38 0.00 2.78 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 0.00 202 Q 7.65 3.91 0.00 1.71 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 203 L 7.19 3.81 0.00 1.43 1.41 1.04 1.19 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 0.00 204 E 7.92 4.03 0.00 2.48 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 0.00 2.47 2.34 0.00 205 Q 7.68 4.07 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 206 I 7.45 3.85 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.59 0.93 0.00 0.00 207 E 7.94 4.11 0.00 1.94 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 2.43 2.61 0.00 208 L 7.88 3.63 0.00 1.80 1.71 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 209 L 7.14 4.50 0.00 1.61 1.60 0.94 0.81 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 0.00 210 E 8.79 4.08 0.00 2.05 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 2.59 2.66 0.00 211 Q 8.21 3.94 0.00 1.68 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 1.50 2.34 0.00 212 L 7.94 4.23 0.00 1.88 1.85 0.96 0.82 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 0.00 213 R 8.39 4.19 0.00 2.26 2.42 0.00 3.13 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.02 0.00 214 V 8.19 4.21 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1.40 0.00 0.00 215 L 8.17 4.31 0.00 1.98 1.91 1.32 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 216 W 8.60 4.33 0.00 3.29 3.18 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 0.00 217 Y 7.48 4.24 0.00 2.59 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 0.00 0.00 0.00 0.00 218 G 7.97 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 0.00 219 E 8.06 4.86 0.00 2.40 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 0.00 2.43 2.96 0.00 220 K 8.57 4.72 0.00 1.57 1.69 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.21 1.33 7.81 221 I 8.20 4.65 2.16 0.00 0.00 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 1.33 0.94 1.10 0.00 0.00 222 H 9.02 4.73 0.00 3.26 3.14 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 223 V 8.46 5.26 1.92 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 1.11 0.00 0.00 0.93 0.00 0.00 224 A 8.20 4.70 1.15 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 0.00 225 V 8.33 4.06 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 0.76 0.00 0.00 0.89 0.00 0.00 226 A 8.99 4.24 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 0.00 227 K 9.27 4.05 0.00 1.80 1.86 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.46 7.81 228 A 7.42 4.57 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 229 V 8.29 3.87 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 0.84 0.00 0.00 0.92 0.00 0.00 230 P 0.00 4.40 0.00 2.19 2.00 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 231 A 8.27 4.16 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 0.00 232 V 8.08 3.78 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 0.80 0.00 0.00 0.92 0.00 0.00 233 G 8.24 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 234 V 7.87 4.24 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 0.82 0.00 0.00 0.92 0.00 0.00 235 D 9.10 4.78 0.00 2.69 2.67 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 0.00 236 T 7.53 4.66 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 1.21 0.00 0.00 237 Q 8.47 3.94 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 238 S 8.05 4.07 0.00 3.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.22 4.36 0.00 2.92 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 0.00 240 L 7.84 3.96 0.00 1.91 1.82 0.96 1.33 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 0.00 241 D 8.30 4.31 0.00 2.87 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 0.00 242 R 8.06 3.86 0.00 1.88 2.17 0.00 3.08 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 243 V 7.57 3.56 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 0.84 0.00 0.00 0.91 0.00 0.00 244 R 8.02 4.02 0.00 1.95 1.98 0.00 3.29 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 245 A 8.17 4.19 1.37 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 0.00 0.00 246 I 7.56 3.88 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.90 0.00 0.00 *248 L 7.67 4.17 0.00 1.65 1.73 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 249 N 7.83 4.15 0.00 2.82 2.84 0.00 0.00 6.94 6.56 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 0.00 250 Q 8.51 4.26 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.32 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.