NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3957 8.1216 114.6472 62.2235 68.3462 173.3739 4 R 4.0801 8.5804 127.1572 55.8517 30.5904 174.4579 5 L 4.4254 8.5316 120.4555 54.9720 45.8520 175.6305 6 E 4.3609 8.6860 129.8167 54.9580 28.0616 177.5204 7 W 4.3562 8.1044 119.4808 59.3941 28.6585 178.3785 8 A 3.4759 6.9172 121.3034 54.5941 17.4745 179.5371 9 K 3.9745 7.6456 115.6699 59.2145 32.2996 179.0140 10 A 4.4261 7.7410 120.5846 53.7547 19.2641 177.4691 11 S 4.4907 8.5115 112.9146 54.8225 63.3713 172.1070 12 P 4.5315 0.0000 0.0000 64.5041 31.1489 177.6441 13 D 4.3887 8.2610 117.1485 57.3553 40.5699 178.5076 14 A 4.0740 7.9083 119.6043 55.3862 18.5573 178.5458 15 Y 4.4314 7.9929 116.3661 61.0768 39.1802 177.9363 16 A 4.0251 8.5876 121.6700 54.9676 18.4473 179.7949 17 A 4.1834 7.8955 116.2720 52.9745 18.2396 179.2599 *19 L 4.3959 8.0139 123.1045 56.2536 43.9009 179.7037 20 G 3.6797 7.7693 104.7741 47.4702 0.0000 175.7986 21 L 4.0206 7.5437 120.5319 57.9483 41.6377 179.3222 22 E 4.1432 8.4459 117.9338 59.4915 29.2176 179.4933 23 K 3.9812 8.0384 117.3180 59.3880 31.9695 178.8814 24 A 4.1663 8.1155 121.3589 54.8379 18.2445 179.1449 25 L 4.2797 7.9549 116.7417 57.4714 40.7699 178.9295 26 A 4.0414 8.2492 121.9486 54.6054 18.3921 178.7282 27 K 4.2129 7.5135 113.1330 56.0450 32.8889 177.2618 28 A 4.1855 7.0424 122.8834 52.0724 18.8262 177.7695 29 G 3.8917 8.3155 108.3282 45.5988 0.0000 173.7092 30 L 4.2392 7.7237 122.3657 53.9200 43.1121 176.2387 31 E 3.8280 8.8810 124.3491 56.6847 30.1285 178.0765 32 R 3.8725 8.7987 124.4580 59.0717 30.2659 176.5780 33 P 4.2111 0.0000 0.0000 65.3435 31.4136 177.9492 34 L 3.9808 8.0617 118.7307 58.6697 41.9339 179.1263 35 I 3.7939 7.7366 119.0836 64.3337 36.9577 178.2529 36 E 4.0203 8.1010 119.5157 58.8126 29.2356 179.2825 37 L 3.9670 8.0003 119.0527 57.8328 41.8359 179.3005 38 V 3.5314 7.8365 118.2436 66.6966 31.3568 177.7995 39 Y 4.0027 8.2177 116.0515 60.6411 37.6877 177.9963 40 L 4.0540 7.8659 121.0725 57.9912 42.2903 178.9181 41 R 4.0774 8.4497 119.1083 59.8194 30.0859 178.4504 42 T 3.8707 7.8399 115.5026 67.0172 68.4684 176.7684 43 S 4.2435 7.9670 116.6958 61.3816 62.6763 176.9320 44 Q 4.0083 8.0106 120.9405 59.0331 28.3308 178.4408 45 I 3.6978 7.5889 119.2861 64.5907 37.1666 177.1002 46 N 4.5201 8.2261 114.4096 53.0838 38.7002 175.1932 47 G 3.7731 7.5638 106.1057 47.1616 0.0000 174.9409 48 C 4.4816 8.0170 121.3256 57.2004 31.3516 172.4973 49 A 3.9978 8.3817 129.7213 55.1075 18.0214 177.8386 50 Y 4.0211 8.2170 116.2019 61.5952 38.7918 178.1525 51 C 4.4492 8.3310 115.2235 62.4963 28.5892 175.7682 52 V 3.8317 8.0471 120.2614 66.0547 30.9867 177.9117 53 N 4.2641 8.0483 113.6208 55.3361 39.1426 175.6581 *55 H 4.6500 8.1975 116.6716 55.2875 31.2239 175.5285 56 A 4.0176 8.2830 121.7564 55.2577 18.0212 179.3919 57 N 4.2416 7.8618 115.0486 56.6596 38.4285 177.3827 58 D 4.3186 8.1062 118.2402 57.2076 39.9829 178.3995 59 A 4.1958 7.7924 120.9266 54.8215 18.4431 178.9187 60 R 4.1221 8.2771 114.1555 57.1687 30.2212 176.6103 61 K 4.5779 7.3985 116.8282 56.3855 32.8464 176.8848 62 A 4.4603 9.7088 117.5279 52.8991 22.9874 178.1026 63 G 3.5196 8.3042 107.6204 44.8502 0.0000 174.2532 64 E 5.2287 5.9000 122.4922 56.1002 33.9882 176.3213 65 T 4.5035 7.5551 110.9017 61.3852 69.8290 177.1073 66 E 3.8788 8.4245 127.3704 59.3586 29.1553 176.9775 67 Q 4.1162 10.0995 116.1316 58.8860 28.7967 178.4985 68 R 3.9733 7.6024 119.6382 58.8399 29.8618 178.7644 69 L 4.1245 7.9592 118.0782 57.6078 41.7249 178.7573 70 Q 4.2790 7.6637 114.7811 58.2892 29.3494 177.4604 71 A 4.4197 8.1521 121.7119 53.6425 18.7388 179.0049 72 L 4.1157 8.0041 119.6283 58.4909 42.0171 178.5029 73 C 4.6869 8.1192 110.4388 59.7094 29.7656 174.4348 74 V 4.4891 8.0370 120.6489 61.5100 32.3122 176.6231 75 W 4.6391 8.5076 120.7401 59.6082 27.8177 177.8152 76 Q 2.8685 6.8363 118.5268 58.0769 28.2217 176.7362 77 E 4.5914 7.6570 115.6109 56.2453 29.8785 175.5952 78 T 4.4153 7.8028 108.3615 59.3679 71.4082 172.2945 79 P 4.6865 0.0000 0.0000 63.0707 31.5620 175.5496 80 Y 4.5467 7.2478 114.8959 58.5549 38.0111 175.0438 81 F 5.1802 7.7330 118.3223 55.1529 42.6534 175.5178 82 T 4.2983 10.1759 115.7574 60.8667 70.6697 174.1321 83 P 4.2150 0.0000 0.0000 65.5933 30.7438 179.1015 84 R 3.6207 7.7732 117.1316 59.3622 30.1875 177.9077 85 E 4.0044 8.2295 118.3729 59.7188 29.4603 179.7417 86 R 3.4335 8.3636 117.9346 59.1066 30.1635 179.0234 87 A 4.0783 7.7559 118.9350 54.8019 18.2476 179.3456 88 A 4.1532 7.7753 118.6135 54.8065 18.8892 179.6331 89 L 3.6831 7.7326 117.1610 56.9693 41.5815 179.4876 90 A 4.3294 7.9475 121.2125 55.0711 18.3995 179.2188 91 W 4.3346 8.2508 126.9044 61.1204 30.6811 178.3217 92 T 3.7934 8.1500 115.5466 66.7059 67.7883 176.5177 93 E 4.0230 8.4029 120.5926 59.7352 29.2969 179.5945 94 Q 3.9735 7.8236 116.6454 58.6566 28.8283 178.2058 95 L 3.9478 7.3680 118.6300 56.9841 41.7471 178.7334 96 A 4.1092 7.8375 120.3618 54.4266 18.5071 178.8687 97 R 4.5130 7.3647 115.6339 56.0127 31.4132 178.6067 98 L 3.8591 7.9025 123.7902 57.9640 42.2702 178.5536 99 S 4.1309 7.9144 111.1167 59.7281 63.2993 174.1789 100 Q 4.2338 8.2261 121.5253 55.3238 29.1463 174.2491 101 G 4.1106 7.8796 102.3286 44.6312 0.0000 173.2992 102 A 3.7253 7.2531 123.7637 48.9403 20.5148 176.8632 103 L 4.6241 8.0008 121.4271 53.0767 42.5091 174.9167 104 P 4.3961 0.0000 0.0000 63.1696 31.9547 177.2010 105 H 4.2155 9.2677 119.1581 58.8970 29.0660 176.6884 106 G 4.0095 8.0916 105.8420 45.3074 0.0000 175.0009 107 L 4.1253 7.9724 123.0452 57.9132 42.0377 178.6472 108 L 3.8304 8.0389 120.0529 57.9776 42.2218 178.4131 109 D 4.3908 8.0936 118.5243 57.3000 40.6536 178.3728 110 E 4.1449 8.2321 119.0005 59.3311 29.3863 179.3485 111 L 4.1486 7.6966 119.0177 57.9270 41.5123 179.6303 112 R 4.1977 7.9378 116.4514 58.1127 30.0313 177.6423 113 E 4.4158 7.6303 116.0334 56.6435 30.1212 175.9828 114 H 4.6194 8.4531 116.3576 55.6567 31.3439 173.8118 115 F 5.0692 7.8490 115.8456 54.9307 42.3905 174.7777 116 D 4.7658 9.2637 124.3190 52.5975 42.0796 177.4570 117 D 4.2732 8.4332 118.7157 57.2292 40.7435 178.7868 118 K 3.9034 8.0276 119.6934 59.6486 32.1656 178.4715 119 E 4.1349 8.7226 118.9018 59.4841 29.1023 178.9299 120 I 3.5238 7.9705 118.1069 62.4088 37.0393 177.7468 121 A 4.1213 7.6656 122.3832 54.5404 19.0605 179.2630 122 E 3.9038 8.1681 117.1082 59.3178 29.5238 179.1871 123 L 3.8912 8.1032 120.6908 58.7410 42.0471 179.2806 124 T 4.1104 7.5087 115.2182 66.5504 68.2875 176.4177 125 L 3.9731 8.3279 122.4517 57.9273 42.1215 178.8126 126 A 4.2584 8.3688 120.9880 55.3145 18.3265 179.4068 127 V 3.4425 7.8926 116.6108 66.6233 31.6277 178.4355 128 S 4.0360 8.4580 114.6616 61.3849 62.6710 176.6878 129 A 3.9228 8.3759 123.8749 55.2181 18.1382 179.5744 130 I 3.5107 7.8557 117.5730 64.1663 37.5927 177.6269 131 N 4.2132 8.3869 117.5030 56.2663 38.4052 177.2802 132 A 3.9528 7.7729 121.8321 54.9013 18.6128 179.5915 133 W 4.4237 8.0769 117.4872 60.2740 29.1704 178.4745 134 N 4.6306 8.7534 116.6419 56.4101 37.8580 177.7512 135 R 3.8857 7.6127 118.2510 59.0096 29.9294 178.9688 136 F 3.7942 7.7323 116.2587 60.3310 38.9304 177.4650 137 G 3.9259 8.5362 104.2139 48.1078 0.0000 175.5558 138 V 3.9378 8.2279 120.6976 65.2145 31.7036 178.1095 139 G 3.4986 7.7572 102.8258 46.5549 0.0000 172.9138 *141 G 3.5726 7.9378 108.4614 45.1002 0.0000 172.7330 *143 Q 4.1742 8.4151 122.9960 55.1547 30.0764 173.5027 144 P 4.4670 0.0000 0.0000 63.1102 31.6600 175.9359 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 3 T 8.12 4.40 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 1.22 0.00 0.00 4 R 8.58 4.08 0.00 1.92 1.95 0.00 3.31 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 1.59 1.70 0.00 5 L 8.53 4.43 0.00 1.71 1.64 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.69 4.36 0.00 2.03 1.81 0.00 0.00 0.00 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 2.22 0.00 7 W 8.10 4.36 0.00 3.74 3.44 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 8 A 6.92 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 7.65 3.97 0.00 1.82 1.82 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.32 7.81 10 A 7.74 4.43 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 0.00 0.00 11 S 8.51 4.49 0.00 3.88 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 12 P 0.00 4.53 0.00 2.23 2.13 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 13 D 8.26 4.39 0.00 2.74 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 14 A 7.91 4.07 1.58 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 15 Y 7.99 4.43 0.00 2.59 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.59 4.03 1.39 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 0.00 0.00 0.00 17 A 7.90 4.18 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.40 0.00 1.74 1.67 0.82 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.77 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 0.00 0.00 0.00 21 L 7.54 4.02 0.00 1.98 1.83 0.75 0.84 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 22 E 8.45 4.14 0.00 2.29 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 2.94 2.59 0.00 23 K 8.04 3.98 0.00 1.90 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.73 7.81 24 A 8.12 4.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.95 4.28 0.00 2.00 1.99 0.96 1.01 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 26 A 8.25 4.04 1.39 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 0.00 0.00 0.00 27 K 7.51 4.21 0.00 1.92 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.67 7.81 28 A 7.04 4.19 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 29 G 8.32 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.72 4.24 0.00 1.79 1.60 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.88 3.83 0.00 2.14 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 2.44 2.51 0.00 32 R 8.80 3.87 0.00 1.89 1.92 0.00 3.16 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 33 P 0.00 4.21 0.00 2.22 2.10 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 34 L 8.06 3.98 0.00 1.81 1.97 0.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.74 3.79 1.94 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 1.55 0.91 0.59 0.00 0.00 36 E 8.10 4.02 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 37 L 8.00 3.97 0.00 1.88 1.65 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.84 3.53 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 1.14 0.00 0.00 0.99 0.00 0.00 39 Y 8.22 4.00 0.00 3.20 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 40 L 7.87 4.05 0.00 1.92 1.89 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.45 4.08 0.00 1.90 1.94 0.00 3.50 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 42 T 7.84 3.87 4.16 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 1.15 0.00 0.00 43 S 7.97 4.24 0.00 4.06 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.01 4.01 0.00 2.38 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 45 I 7.59 3.70 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.68 0.91 0.00 0.00 46 N 8.23 4.52 0.00 2.84 2.86 0.00 0.00 7.08 6.96 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 47 G 7.56 3.77 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 0.00 0.00 0.00 48 C 8.02 4.48 0.00 3.08 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 49 A 8.38 4.00 1.39 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 0.00 0.00 0.00 50 Y 8.22 4.02 0.00 3.05 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.33 4.45 0.00 3.16 3.19 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 52 V 8.05 3.83 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 1.03 0.00 0.00 1.03 0.00 0.00 53 N 8.05 4.26 0.00 2.82 2.79 0.00 0.00 7.29 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 *55 H 8.20 4.65 0.00 3.34 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.28 4.02 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 57 N 7.86 4.24 0.00 2.73 2.83 0.00 0.00 7.09 8.12 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 58 D 8.11 4.32 0.00 2.70 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 59 A 7.79 4.20 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 60 R 8.28 4.12 0.00 1.79 2.12 0.00 3.19 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 61 K 7.40 4.58 0.00 1.77 1.73 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.51 7.81 62 A 9.71 4.46 1.28 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 0.00 0.00 63 G 8.30 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 5.90 5.23 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 65 T 7.56 4.50 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 66 E 8.42 3.88 0.00 2.14 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 2.29 2.20 0.00 67 Q 10.10 4.12 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 1.99 1.90 0.00 68 R 7.60 3.97 0.00 1.83 2.08 0.00 2.47 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.39 0.00 69 L 7.96 4.12 0.00 1.81 1.78 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.66 4.28 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 71 A 8.15 4.42 1.80 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 72 L 8.00 4.12 0.00 2.15 1.82 0.70 1.30 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 73 C 8.12 4.69 0.00 3.23 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 74 V 8.04 4.49 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 0.87 0.00 0.00 0.92 0.00 0.00 75 W 8.51 4.64 0.00 3.18 3.21 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 76 Q 6.84 2.87 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.58 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 77 E 7.66 4.59 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 78 T 7.80 4.42 3.57 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 1.30 0.00 0.00 79 P 0.00 4.69 0.00 2.12 2.08 0.00 2.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 80 Y 7.25 4.55 0.00 2.27 2.46 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 81 F 7.73 5.18 0.00 3.17 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 82 T 10.18 4.30 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 1.27 0.00 0.00 83 P 0.00 4.21 0.00 2.22 2.22 0.00 3.61 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 2.15 2.20 0.00 84 R 7.77 3.62 0.00 1.68 1.79 0.00 2.80 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.00 85 E 8.23 4.00 0.00 2.40 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 2.42 2.43 0.00 86 R 8.36 3.43 0.00 1.94 2.33 0.00 3.34 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 87 A 7.76 4.08 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 0.00 0.00 88 A 7.78 4.15 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 89 L 7.73 3.68 0.00 0.27 0.22 -0.10 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.95 4.33 1.69 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 0.00 0.00 91 W 8.25 4.33 0.00 3.51 3.26 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 92 T 8.15 3.79 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 93 E 8.40 4.02 0.00 2.23 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 2.59 3.01 0.00 94 Q 7.82 3.97 0.00 1.92 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.02 0.00 0.00 0.00 0.00 0.00 2.49 2.65 0.00 95 L 7.37 3.95 0.00 1.27 1.44 -0.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.84 4.11 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 97 R 7.36 4.51 0.00 1.79 1.90 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 98 L 7.90 3.86 0.00 1.80 1.59 0.80 0.77 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 99 S 7.91 4.13 0.00 3.98 3.93 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 0.00 100 Q 8.23 4.23 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 101 G 7.88 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.25 3.73 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.00 4.62 0.00 1.71 1.60 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 104 P 0.00 4.40 0.00 2.28 2.10 0.00 3.64 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 105 H 9.27 4.22 0.00 3.10 3.42 0.00 5.89 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.09 4.01 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 0.00 0.00 0.00 107 L 7.97 4.13 0.00 2.06 2.01 1.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 108 L 8.04 3.83 0.00 1.99 1.73 0.62 1.33 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 0.00 109 D 8.09 4.39 0.00 2.76 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 0.00 0.00 0.00 0.00 110 E 8.23 4.14 0.00 2.29 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 2.39 2.64 0.00 111 L 7.70 4.15 0.00 1.63 1.50 1.03 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.94 4.20 0.00 1.99 1.99 0.00 3.13 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 113 E 7.63 4.42 0.00 1.94 1.99 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 2.47 2.32 0.00 114 H 8.45 4.62 0.00 2.78 2.84 0.00 5.79 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.85 5.07 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.26 4.77 0.00 2.92 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 0.00 117 D 8.43 4.27 0.00 2.78 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 0.00 118 K 8.03 3.90 0.00 1.82 1.82 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.54 7.81 119 E 8.72 4.13 0.00 2.44 2.12 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 2.43 2.57 0.00 120 I 7.97 3.52 1.70 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 1.10 0.95 0.41 0.00 0.00 121 A 7.67 4.12 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 0.00 122 E 8.17 3.90 0.00 2.15 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 2.35 2.33 0.00 123 L 8.10 3.89 0.00 1.42 1.43 0.87 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 124 T 7.51 4.11 4.47 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 1.36 0.00 0.00 125 L 8.33 3.97 0.00 1.78 1.90 0.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.37 4.26 1.63 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 0.00 0.00 127 V 7.89 3.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.02 0.00 0.00 128 S 8.46 4.04 0.00 3.87 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 0.00 129 A 8.38 3.92 1.58 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 0.00 130 I 7.86 3.51 0.56 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 1.36 1.29 0.67 0.00 0.00 131 N 8.39 4.21 0.00 2.89 2.79 0.00 0.00 6.92 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 7.77 3.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.08 4.42 0.00 3.58 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 0.00 134 N 8.75 4.63 0.00 2.88 2.91 0.00 0.00 7.07 7.44 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 0.00 135 R 7.61 3.89 0.00 1.84 1.72 0.00 3.14 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 136 F 7.73 3.79 0.00 3.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.54 3.93 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 0.00 0.00 0.00 138 V 8.23 3.94 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 0.84 0.00 0.00 1.08 0.00 0.00 139 G 7.76 3.50 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 0.00 0.00 0.00 *141 G 7.94 3.57 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 *143 Q 8.42 4.17 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 144 P 0.00 4.47 0.00 2.14 1.94 0.00 3.86 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 1.98 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.