NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2763 8.1233 122.4379 51.8076 20.7630 175.0541 3 I 4.1995 7.7780 119.5852 59.4182 38.4755 175.0786 4 F 5.1814 8.8683 126.8982 60.0667 40.7811 175.4223 5 S 5.1401 7.6828 110.2770 57.9074 65.9618 174.7559 6 V 5.1032 8.9227 120.1907 61.4731 34.9161 173.6779 7 Y 5.0426 9.8296 124.7084 56.2287 41.6839 174.4302 8 V 4.7456 9.2536 125.1108 61.4271 33.7666 174.2370 9 V 4.8224 8.5780 128.9548 60.9187 33.9708 175.3438 10 N 4.8099 9.4832 125.7101 52.9185 39.0516 175.9486 11 K 4.2002 8.6988 118.7267 57.7976 32.3861 176.9897 12 A 4.2899 7.9609 119.4128 52.1421 19.3790 177.5349 13 G 3.8277 7.8776 104.4379 44.9695 0.0000 174.0178 14 G 3.8435 7.6068 108.8082 44.1485 0.0000 173.0997 15 L 4.7333 8.4582 125.5292 54.5421 42.4210 176.1989 16 I 4.4807 8.2620 119.0661 60.5253 39.2973 174.4312 17 Y 4.8012 7.6598 120.8773 57.2409 41.8474 172.2654 18 Q 4.7706 7.5250 122.9684 54.9214 31.7981 173.4676 19 L 4.4153 8.6909 123.5775 53.8634 45.9041 174.0764 20 D 5.1671 8.5368 125.5639 52.4713 42.7210 176.7812 21 S 4.9152 8.2670 118.6641 57.8868 62.5507 173.1210 22 Y 4.2976 6.9893 116.2017 57.0488 41.2225 172.5479 *27 E 4.3103 8.7834 120.5754 56.7622 30.2989 175.6770 28 A 4.6152 8.6396 128.8743 50.8114 20.7926 175.4519 29 E 5.2198 8.8038 122.0860 54.3852 32.2864 174.7142 30 K 4.7003 9.1071 127.1592 54.9415 36.4219 174.6669 31 T 5.0330 8.2956 121.4375 62.5906 69.7576 174.1851 32 F 5.0927 9.7686 125.0521 56.0056 42.6188 175.2037 33 S 5.2677 8.8435 117.7782 57.4119 65.4934 172.4485 34 Y 3.7174 8.2245 121.7579 55.3879 39.5064 173.4006 35 P 3.1476 0.0000 0.0000 60.5362 32.9859 175.3729 36 L 4.2921 7.6925 118.0895 55.1199 41.8672 177.3807 37 D 4.6935 8.8078 119.4827 55.0338 41.4443 176.4234 38 L 5.0062 7.5872 118.4647 52.7383 45.2247 175.8383 39 L 4.5637 8.6855 122.3580 53.7349 42.9592 175.6391 40 L 5.4123 8.5784 124.1448 52.9151 44.1897 176.1211 41 K 4.7210 8.8861 120.4914 55.0388 36.5352 174.8702 42 L 4.6583 8.5018 124.4039 54.9115 42.9135 175.6540 43 H 4.4372 9.6109 126.7068 55.3220 32.2483 172.4845 44 D 4.4235 9.1655 128.9592 56.2770 37.5660 173.4504 45 E 3.9339 8.1601 109.8369 57.0482 27.9924 175.3817 46 R 4.5740 7.5675 114.2680 54.4839 34.3848 174.4662 47 V 4.5977 8.3012 121.4962 61.8966 32.7912 174.6486 48 L 5.3207 8.7337 127.9527 52.7133 45.3883 176.1762 49 V 4.2071 8.7935 121.3566 62.7310 31.4958 176.5040 50 A 4.3155 9.5026 132.4372 54.6030 19.2381 177.0904 51 F 4.7288 8.1779 115.3422 57.8490 43.2759 174.3894 52 G 3.8327 8.7841 110.7822 46.1436 0.0000 173.6855 53 Q 4.2338 7.9821 124.4711 55.3489 31.1184 174.7876 54 R 4.6208 7.8400 117.6946 55.1776 33.6317 171.8970 55 D 4.3134 9.8616 116.3196 55.8652 38.6524 174.0795 56 G 4.1968 8.4399 107.1962 46.1002 0.0000 175.3724 57 I 3.8618 7.7608 120.7106 61.1545 37.8095 175.3515 58 R 4.5958 7.4725 121.8481 53.6881 33.3018 175.1000 59 V 3.4691 7.3583 116.6373 66.4843 30.5689 177.0005 60 G 3.8841 8.0118 106.6547 47.8419 0.0000 172.2740 61 H 4.7446 8.5594 118.9676 55.7855 30.0700 174.4879 62 A 5.3094 8.5280 123.4404 50.1644 21.8238 176.3108 63 V 3.7078 8.7578 121.2972 63.1297 31.5835 175.8488 64 L 4.5930 9.3089 128.2772 55.8985 44.0895 176.2493 65 A 4.9015 7.3102 117.3524 50.9017 22.7949 175.2332 66 I 4.6456 8.2623 121.4071 59.8532 40.2525 175.8735 67 N 4.2452 10.9700 124.6388 54.2223 36.4391 175.7247 68 G 3.8830 8.5335 106.9964 45.3934 0.0000 174.0163 69 M 4.2488 7.7651 120.5942 53.6945 32.2712 175.4957 70 D 4.6633 8.6059 124.6045 54.4121 41.3430 177.0220 71 V 3.7456 8.4983 124.6974 62.8898 32.3698 175.5776 72 N 4.8108 8.7399 124.2371 52.2638 38.9998 176.2056 73 G 3.8488 7.8138 116.9334 46.5794 0.0000 172.6188 74 R 4.1990 8.7329 122.3912 56.0266 29.8028 175.0058 75 Y 4.9542 7.9281 116.7386 56.5238 40.9896 175.1624 76 T 4.4287 8.9746 118.5006 62.5353 69.4638 176.3736 77 A 4.2378 8.3904 126.1772 54.9272 18.4007 178.1733 78 D 4.4665 7.8905 113.0994 54.4958 41.6527 176.7031 79 G 4.0513 8.5360 107.1196 45.9045 0.0000 174.3660 80 K 4.3420 7.7502 118.7334 55.6420 33.1347 176.0167 81 E 4.0230 8.8102 121.7213 56.2359 30.1064 177.8308 82 V 3.5273 7.9917 124.3533 66.5145 31.4475 178.1831 83 L 4.0345 7.7766 116.5287 57.6079 41.8440 179.0505 84 E 4.1525 8.0079 118.4589 59.3990 29.4360 178.3213 85 Y 3.9740 8.4061 119.9872 60.6851 38.7135 177.8275 86 L 4.4352 8.4018 117.9683 56.3035 41.9382 178.4371 87 G 4.2036 7.7927 104.3970 44.2208 0.0000 173.5276 88 N 4.6157 7.6187 120.6938 51.0690 39.7846 173.2878 89 P 3.7986 0.0000 0.0000 65.1901 31.3345 178.0820 90 A 4.1105 7.9344 120.8206 54.1196 18.3468 177.6097 91 N 4.5193 8.0541 112.0934 53.5127 38.7635 174.6230 92 Y 4.7220 7.4283 116.1676 55.4916 40.0164 173.8457 93 P 5.1458 0.0000 0.0000 62.8808 32.5982 176.2230 94 V 4.6481 8.8449 120.9021 60.1162 34.3806 174.1167 95 S 5.2514 9.1083 118.8036 57.2868 64.1131 172.7148 96 I 4.4962 9.0157 127.4782 59.4090 40.8895 174.1957 97 R 5.0962 8.8620 126.8916 54.6393 32.3124 174.6486 98 F 5.8566 8.6011 124.9288 55.3253 42.8687 174.5478 99 G 4.1526 8.3876 105.5454 45.1447 0.0000 172.7336 100 R 4.4156 8.6676 120.3885 55.6418 30.3392 175.2645 101 P 4.3741 0.0000 0.0000 63.0666 31.7809 175.4843 102 R 4.5162 8.1503 118.0198 54.1945 31.4166 176.7019 103 L 4.2451 8.4936 122.9311 55.5477 42.2474 177.9747 104 T 4.2829 10.0148 121.2171 62.7401 70.6816 176.1124 105 S 4.0983 8.5645 118.8819 62.1676 62.8012 176.9319 106 N 4.3520 8.1267 118.2709 56.4585 38.2754 176.9783 107 E 3.9993 8.2620 119.3806 59.5387 29.5616 179.4830 108 K 4.1170 8.4013 118.5623 59.4100 32.0945 179.3405 109 L 4.0392 7.9713 119.2503 57.9478 41.4939 179.1101 110 M 4.0008 8.3801 118.3217 58.8763 32.1780 178.0582 111 L 3.9232 8.2734 118.9862 58.0120 41.7740 179.5881 112 A 4.0995 8.2536 120.5421 55.2718 18.1839 179.9457 113 S 4.2742 8.1856 113.8111 61.9017 62.9255 176.6590 114 M 4.1053 8.8821 122.0078 58.5327 31.7109 178.6407 115 F 4.2346 8.6313 120.8977 61.2008 39.3738 176.4636 116 H 3.9543 8.0832 117.9948 59.4512 29.5841 177.4059 117 S 4.0481 7.8648 115.8840 61.2193 62.8980 176.1100 118 L 3.8753 7.8061 122.6776 57.4929 40.8706 179.1255 119 F 3.6694 8.0692 120.4551 61.1191 39.2114 176.9151 120 A 3.9136 7.6872 119.9004 55.2654 18.1434 179.4119 121 I 3.6525 7.9590 118.7249 64.7305 37.0149 178.7842 122 G 3.2158 7.7382 104.7930 47.6903 0.0000 175.2531 123 S 4.1205 7.3395 114.2999 60.9519 62.2860 175.9502 124 Q 3.8621 8.0158 121.8764 59.1933 28.8370 176.8367 125 L 4.3087 8.4806 115.3089 54.7735 41.6808 176.9255 126 S 4.1645 7.4252 115.1958 57.6996 62.5687 172.5274 127 P 4.4440 0.0000 0.0000 63.9946 31.8119 175.7996 128 E 4.6744 7.4647 118.6320 54.3200 31.6847 175.9501 129 Q 4.1373 8.5328 121.4127 56.0533 29.7890 175.5463 130 G 3.9478 8.3181 105.1982 46.8844 0.0000 173.4658 131 S 4.6236 7.7569 111.4983 56.0173 64.3781 173.6812 132 S 4.4156 8.2695 121.8510 57.1357 64.6065 173.0740 133 G 2.0885 7.5331 108.4267 44.0015 0.0000 172.6270 134 I 3.7197 7.1454 120.5960 61.8498 37.5055 175.5916 135 E 4.8828 8.8557 124.0545 57.4759 31.9156 175.6820 136 M 5.2488 7.9688 118.6283 54.1100 35.4544 173.6163 137 L 4.7726 9.1646 128.6614 53.2148 44.7819 174.4960 138 E 4.8367 8.7752 126.5720 54.8111 32.2148 174.5712 139 T 4.5793 7.9288 121.0701 61.5459 72.6716 173.8894 140 D 4.4891 8.5336 121.2149 55.4097 39.7363 177.1129 141 T 4.5540 7.5604 107.8850 61.5971 70.6550 173.5108 142 F 5.3363 7.2848 115.6048 55.9859 41.2332 172.6479 143 K 4.9008 9.7493 121.3030 54.5605 35.4122 174.2996 144 L 5.1353 9.3246 129.6020 53.8883 44.1645 174.3915 145 H 5.4823 9.4080 124.2402 54.2626 31.2528 173.1844 146 C 5.4785 9.2940 123.4650 57.7465 34.7028 172.3392 147 Y 4.6832 8.8864 126.0538 55.8602 41.3402 173.5264 148 Q 4.7805 7.9851 127.9131 54.3962 30.6032 175.4989 149 T 4.0519 8.5646 123.6494 62.9933 69.2759 175.5317 150 L 3.9400 8.5291 123.4920 58.1779 41.6960 178.5694 151 T 4.1795 7.9474 105.8543 61.7733 68.8916 175.2298 152 G 3.8265 8.4908 111.1922 45.6703 0.0000 172.9315 153 I 4.1093 7.3211 120.4979 60.3166 38.7746 174.7429 154 K 4.6484 8.4350 125.7618 54.5349 34.9989 175.1778 155 F 5.2866 8.6548 124.3342 56.2042 40.6980 174.7358 156 V 4.8602 9.4328 126.0511 61.0555 33.6575 174.5357 157 V 4.9063 9.0665 128.0954 61.1838 34.3284 173.8590 158 L 5.3625 8.9924 127.9565 53.4578 44.0061 175.5939 159 A 4.2340 9.1819 124.1511 50.1912 23.6758 174.5465 160 D 4.6581 7.9676 118.7493 54.1697 41.5471 175.7193 161 P 4.2603 0.0000 0.0000 65.7633 31.5116 177.6951 162 R 4.1494 9.0381 116.3804 57.5478 30.4613 176.8879 163 Q 3.8190 7.9000 119.2742 56.4333 29.2700 175.4501 164 A 4.7769 7.8584 126.7152 51.0230 21.7914 175.5375 165 G 3.9982 8.4741 103.4283 47.2784 0.0000 176.1547 166 I 3.7244 7.6392 122.2834 63.3155 37.3132 177.3488 167 D 4.3881 8.0209 119.6689 57.5729 40.6985 178.7990 168 S 4.1107 7.9830 115.1389 61.1652 62.8585 176.2724 169 L 3.8448 7.3605 122.7320 58.1562 41.9079 178.9647 170 L 3.8961 7.9181 118.8237 57.9508 41.6038 179.6387 171 R 3.7237 7.9774 118.4787 59.0509 29.9317 178.5439 172 K 3.8691 8.3118 120.0569 59.4626 32.2419 178.9374 173 I 3.4304 7.9860 120.5415 64.2128 36.8534 177.6850 174 Y 4.0008 7.5915 120.3424 60.6641 38.5788 178.0250 175 E 3.7064 7.8249 118.8275 59.5009 29.4959 179.2105 176 I 3.6387 7.6399 119.6126 64.7465 37.1694 177.8029 177 Y 4.5256 8.6850 120.3723 60.9874 38.6778 178.1016 178 S 4.0157 8.5201 116.4882 61.9256 63.0460 176.5412 179 D 4.3952 8.2183 121.3221 57.3239 40.4277 178.6611 180 F 4.1184 7.9746 121.0871 60.7179 39.0883 177.2634 181 A 3.6075 7.4377 119.9780 54.6486 18.4470 178.9457 182 L 4.0407 7.9741 114.7025 55.7520 41.8601 178.0240 183 K 4.3422 7.1922 118.0053 55.9010 34.9487 175.5220 184 N 4.8882 7.0894 115.5105 50.4004 38.6626 172.9809 185 P 3.9407 0.0000 0.0000 65.1055 31.7370 178.1769 186 F 4.8131 7.6481 114.5179 56.8878 39.3148 174.8756 187 Y 4.2046 7.5258 122.2352 57.1594 39.1599 175.8787 188 S 4.0879 7.7368 120.7884 58.3619 62.9313 175.1608 189 L 4.1159 8.5834 128.0147 57.5572 41.5888 177.6864 190 E 4.3194 8.0388 113.6327 56.7751 30.2365 176.0917 191 M 4.4326 7.3632 120.4221 53.5147 33.1574 174.4123 192 P 4.5152 0.0000 0.0000 62.7485 32.0879 176.7358 193 I 3.6217 8.8822 123.4281 61.3080 35.6649 176.1219 194 R 4.3500 8.1390 123.6728 55.9879 31.0060 177.2151 195 C 3.9882 7.8231 118.9284 60.0490 32.2818 173.8759 196 E 4.0918 8.9574 127.7209 59.3847 29.1244 179.2960 197 L 3.9930 7.9258 118.9205 57.4846 41.7586 178.9323 198 F 3.8746 8.1663 120.1326 61.2445 39.3473 176.2200 199 D 4.3420 7.9705 117.2948 57.5813 41.1083 178.1425 200 Q 3.9121 8.1974 119.7943 59.3738 29.0988 178.0431 201 N 4.2674 8.5176 117.8821 55.9963 38.5210 177.1403 202 L 3.6495 7.9674 122.1215 57.8786 42.1661 178.8696 203 K 3.8063 8.0463 118.5315 59.8235 32.0672 179.1303 204 L 3.9515 7.7179 118.0435 57.7740 41.4401 179.4872 205 A 3.9538 7.9960 120.6710 55.0608 18.1790 179.7188 206 L 3.9243 7.9066 117.6227 57.8411 41.4406 179.5173 207 E 3.9176 7.7481 117.4258 59.3269 29.6603 179.1710 208 V 3.6800 7.8639 117.9278 66.1944 31.6251 177.7842 209 A 3.9770 8.2925 120.6817 55.2102 17.9689 178.9323 210 E 3.9854 8.2715 116.4679 58.1800 29.6110 177.9748 211 K 4.4952 8.1061 117.0016 56.2295 32.6481 176.9357 212 A 4.1498 7.8472 121.5066 52.4428 18.0816 178.8999 213 G 4.1921 7.9669 102.4567 46.0890 0.0000 173.9441 214 T 4.2103 7.5973 106.9323 61.1006 68.4352 175.2059 215 F 4.2969 7.4992 120.2788 59.9809 40.6790 176.6741 *216 G 3.7274 7.7536 115.6298 46.0150 0.0000 172.2151 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 8.12 4.28 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 3 I 7.78 4.20 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.93 0.00 0.00 4 F 8.87 5.18 0.00 3.17 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 5 S 7.68 5.14 0.00 4.10 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 6 V 8.92 5.10 2.23 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 1.26 0.00 0.00 1.02 0.00 0.00 7 Y 9.83 5.04 0.00 2.85 2.84 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 8 V 9.25 4.75 2.32 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 1.02 0.00 0.00 1.34 0.00 0.00 9 V 8.58 4.82 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 0.95 0.00 0.00 1.05 0.00 0.00 10 N 9.48 4.81 0.00 2.93 2.81 0.00 0.00 6.56 6.83 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 11 K 8.70 4.20 0.00 1.69 1.82 0.00 1.82 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.38 7.81 12 A 7.96 4.29 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 13 G 7.88 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 14 G 7.61 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 0.00 0.00 0.00 15 L 8.46 4.73 0.00 1.66 1.62 0.89 1.06 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 16 I 8.26 4.48 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.82 1.09 0.00 0.00 17 Y 7.66 4.80 0.00 3.02 2.85 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 0.00 0.00 0.00 18 Q 7.53 4.77 0.00 1.22 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.43 0.00 0.00 0.00 0.00 0.00 1.84 2.05 0.00 19 L 8.69 4.42 0.00 1.47 1.47 0.84 1.21 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 20 D 8.54 5.17 0.00 2.31 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 0.00 0.00 0.00 21 S 8.27 4.92 0.00 4.10 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 22 Y 6.99 4.30 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 E 8.78 4.31 0.00 2.05 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 2.21 2.34 0.00 28 A 8.64 4.62 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 29 E 8.80 5.22 0.00 1.98 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 2.21 2.33 0.00 30 K 9.11 4.70 0.00 1.83 1.60 0.00 1.56 0.00 0.00 1.18 0.00 0.00 2.15 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.43 1.09 7.81 31 T 8.30 5.03 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 1.27 0.00 0.00 32 F 9.77 5.09 0.00 3.14 3.14 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 33 S 8.84 5.27 0.00 3.81 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 34 Y 8.22 3.72 0.00 2.07 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 3.15 0.00 1.68 0.81 0.00 3.60 0.00 0.00 3.29 0.00 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0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 111 L 8.27 3.92 0.00 1.89 1.69 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.25 4.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 8.19 4.27 0.00 4.09 3.96 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 0.00 114 M 8.88 4.11 0.00 2.09 2.39 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 115 F 8.63 4.23 0.00 3.20 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 0.00 116 H 8.08 3.95 0.00 3.30 3.53 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.86 4.05 0.00 4.02 4.12 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 0.00 118 L 7.81 3.88 0.00 1.82 1.64 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 119 F 8.07 3.67 0.00 2.37 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 0.00 120 A 7.69 3.91 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 0.00 121 I 7.96 3.65 1.93 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.07 0.86 0.00 0.00 122 G 7.74 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 0.00 0.00 0.00 123 S 7.34 4.12 0.00 3.59 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 0.00 124 Q 8.02 3.86 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 125 L 8.48 4.31 0.00 1.67 1.64 0.89 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.43 4.16 0.00 3.85 3.85 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 0.00 0.00 0.00 127 P 0.00 4.44 0.00 2.20 2.13 0.00 3.73 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 1.96 1.96 0.00 128 E 7.46 4.67 0.00 1.88 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 2.22 2.36 0.00 129 Q 8.53 4.14 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 130 G 8.32 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 0.00 131 S 7.76 4.62 0.00 3.88 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 0.00 132 S 8.27 4.42 0.00 4.00 3.85 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 0.00 0.00 0.00 133 G 7.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.15 3.72 2.02 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 1.36 0.38 1.09 0.00 0.00 135 E 8.86 4.88 0.00 1.98 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 0.00 2.43 2.50 0.00 136 M 7.97 5.25 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 137 L 9.16 4.77 0.00 1.85 1.57 1.06 0.89 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 0.00 138 E 8.78 4.84 0.00 1.92 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 0.00 2.09 2.20 0.00 139 T 7.93 4.58 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 1.00 0.00 0.00 140 D 8.53 4.49 0.00 2.77 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 0.00 141 T 7.56 4.55 4.29 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 1.22 0.00 0.00 142 F 7.28 5.34 0.00 3.53 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.75 4.90 0.00 1.77 1.71 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.07 1.27 7.81 144 L 9.32 5.14 0.00 2.03 1.75 0.61 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 145 H 9.41 5.48 0.00 3.14 3.27 0.00 5.61 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 0.00 146 C 9.29 5.48 0.00 3.12 3.24 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 0.00 147 Y 8.89 4.68 0.00 3.28 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 0.00 148 Q 7.99 4.78 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.82 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 149 T 8.56 4.05 4.30 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 1.43 0.00 0.00 150 L 8.53 3.94 0.00 1.72 1.79 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 151 T 7.95 4.18 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 152 G 8.49 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 0.00 153 I 7.32 4.11 1.42 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.24 0.00 0.00 154 K 8.44 4.65 0.00 1.55 1.61 0.00 1.53 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.93 1.00 7.81 155 F 8.65 5.29 0.00 3.20 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 0.00 156 V 9.43 4.86 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 0.58 0.00 0.00 0.78 0.00 0.00 157 V 9.07 4.91 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 0.99 0.00 0.00 1.02 0.00 0.00 158 L 8.99 5.36 0.00 1.77 1.62 0.61 0.88 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 A 9.18 4.23 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 0.00 160 D 7.97 4.66 0.00 2.57 2.42 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 0.00 161 P 0.00 4.26 0.00 2.10 2.13 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 162 R 9.04 4.15 0.00 1.73 2.09 0.00 3.14 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 163 Q 7.90 3.82 0.00 1.88 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 164 A 7.86 4.78 1.32 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 0.00 0.00 165 G 8.47 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 3.72 1.68 0.00 0.00 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 1.55 0.69 0.73 0.00 0.00 167 D 8.02 4.39 0.00 2.69 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 0.00 168 S 7.98 4.11 0.00 3.84 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 0.00 169 L 7.36 3.84 0.00 1.92 1.77 0.91 0.55 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 0.00 170 L 7.92 3.90 0.00 1.85 1.66 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.98 3.72 0.00 1.83 2.09 0.00 3.10 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 1.59 1.62 0.00 172 K 8.31 3.87 0.00 1.91 1.87 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.39 7.81 173 I 7.99 3.43 1.60 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 1.19 0.48 0.49 0.00 0.00 174 Y 7.59 4.00 0.00 2.77 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 0.00 175 E 7.82 3.71 0.00 2.15 1.88 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 2.19 2.38 0.00 176 I 7.64 3.64 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.46 0.00 0.00 177 Y 8.69 4.53 0.00 3.41 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.02 0.00 3.86 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 0.00 179 D 8.22 4.40 0.00 2.87 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 0.00 180 F 7.97 4.12 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 A 7.44 3.61 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 7.97 4.04 0.00 1.51 1.63 0.86 0.77 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 0.00 183 K 7.19 4.34 0.00 1.78 1.69 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.21 1.34 7.81 184 N 7.09 4.89 0.00 1.81 2.24 0.00 0.00 6.58 9.28 0.00 0.00 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 P 0.00 3.94 0.00 0.99 1.79 0.00 3.69 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 186 F 7.65 4.81 0.00 3.05 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 0.00 187 Y 7.53 4.20 0.00 2.78 2.84 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 0.00 188 S 7.74 4.09 0.00 3.68 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 0.00 189 L 8.58 4.12 0.00 1.70 1.77 0.96 1.08 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 0.00 190 E 8.04 4.32 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 191 M 7.36 4.43 0.00 1.80 1.83 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 192 P 0.00 4.52 0.00 2.23 2.09 0.00 3.81 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 2.08 2.03 0.00 193 I 8.88 3.62 1.42 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.49 -0.80 0.00 0.00 194 R 8.14 4.35 0.00 1.86 2.01 0.00 3.33 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 195 C 7.82 3.99 0.00 3.13 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 0.00 196 E 8.96 4.09 0.00 2.08 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 2.43 2.44 0.00 197 L 7.93 3.99 0.00 1.75 1.74 0.94 1.02 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 0.00 198 F 8.17 3.87 0.00 2.99 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 D 7.97 4.34 0.00 2.92 2.90 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 0.00 200 Q 8.20 3.91 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 201 N 8.52 4.27 0.00 2.59 2.69 0.00 0.00 6.70 6.77 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 0.00 202 L 7.97 3.65 0.00 1.00 1.54 0.59 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 203 K 8.05 3.81 0.00 1.95 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.81 1.65 7.81 204 L 7.72 3.95 0.00 1.81 1.67 0.88 0.71 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 0.00 205 A 8.00 3.95 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 0.00 206 L 7.91 3.92 0.00 1.98 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 207 E 7.75 3.92 0.00 2.14 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 2.34 2.46 0.00 208 V 7.86 3.68 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 1.06 0.00 0.00 0.93 0.00 0.00 209 A 8.29 3.98 1.32 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 0.00 0.00 210 E 8.27 3.99 0.00 2.15 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 0.00 2.32 2.38 0.00 211 K 8.11 4.50 0.00 1.92 1.78 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.60 7.81 212 A 7.85 4.15 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 0.00 213 G 7.97 4.19 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 0.00 214 T 7.60 4.21 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 215 F 7.50 4.30 0.00 3.05 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 *216 G 7.75 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.