NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3610 8.2493 123.5824 52.5139 19.7643 176.1496 2 T 4.4915 8.4654 112.0899 60.8766 71.3262 172.1043 3 K 5.2604 8.3633 123.1809 54.9075 37.0354 176.0338 4 A 5.3102 8.9498 123.2696 51.0639 23.2947 175.4666 5 V 5.1155 8.7731 117.7441 60.5514 35.4551 173.4930 6 C 5.0269 9.3810 122.5760 57.7639 35.5025 172.5781 7 V 4.6668 8.4491 125.5493 61.2432 33.5832 173.9918 8 L 4.9154 9.3570 130.0693 53.9320 43.1070 176.2536 9 K 4.8328 8.9012 122.0375 55.3645 37.0526 176.3054 10 G 4.6708 8.0228 109.2973 44.4717 0.0000 171.7881 11 D 4.5666 8.8413 117.8468 55.4828 41.8101 176.9478 12 G 4.3698 7.6157 109.2849 44.2145 0.0000 171.6213 13 P 4.4550 0.0000 0.0000 63.7765 32.2111 176.6921 14 V 4.3862 7.7870 119.9920 62.8506 32.1683 174.9278 15 Q 4.8072 7.8681 123.0190 55.3852 31.6327 173.0495 16 G 4.2709 7.8655 107.0995 46.5558 0.0000 172.0555 17 T 5.2119 7.8715 116.4929 61.6857 71.7364 173.2869 18 I 4.8011 8.8332 127.7280 59.7708 40.1321 174.3382 19 H 5.3094 8.9324 123.4379 54.0267 31.6387 173.3072 20 F 5.3886 9.2296 120.7429 55.8750 42.8305 174.0681 21 E 5.2184 8.8596 121.6772 54.8579 33.3926 173.7340 22 A 4.7558 9.1894 130.1337 51.3678 19.5185 177.0694 23 K 4.4019 8.7182 122.8992 55.4369 34.7995 177.6749 24 G 3.8322 8.3295 116.1310 47.2219 0.0000 172.9466 25 D 4.8391 8.9033 125.0048 53.6842 41.2727 174.8424 26 T 4.8426 7.8522 110.4157 59.8368 72.5519 172.8955 27 V 4.8122 8.9661 121.2396 61.1191 34.7715 174.1264 28 V 4.5976 9.1782 128.4742 61.6043 33.0974 174.3886 29 V 4.5936 8.9546 129.5560 61.7424 33.2860 174.8556 30 T 5.4956 8.5997 117.6056 58.7235 73.1927 170.9479 31 G 4.2607 8.4554 105.2517 44.6319 0.0000 172.3881 32 S 5.0975 8.3921 111.8716 56.6699 67.0309 173.0281 33 I 4.8947 9.0209 121.3653 59.8490 41.2431 174.6437 34 T 4.8732 8.8123 115.3925 60.5151 72.7217 174.6084 35 G 3.8246 8.8076 107.0767 45.8939 0.0000 173.4580 36 L 4.4366 7.6678 119.9449 53.0838 42.9205 176.3728 37 T 4.2535 8.2491 112.3808 61.0534 69.4902 173.9458 38 E 3.9892 8.7237 125.8200 57.7727 30.0055 175.0024 39 G 3.6749 8.9908 109.8327 44.0065 0.0000 171.8878 40 D 5.0450 8.3327 118.6512 54.0108 41.9554 176.2341 41 H 5.0332 9.6342 120.4498 53.4776 32.7983 173.2901 42 G 3.9463 9.0973 110.9621 46.8266 0.0000 172.1793 43 F 5.3224 9.3816 126.4624 56.7823 41.8986 173.0919 44 H 5.0793 8.7816 122.5387 53.8380 33.7176 172.9791 45 V 4.4923 8.4408 120.9323 62.2440 32.4235 175.1145 46 H 4.8402 9.0845 125.9632 55.1268 30.0204 176.4776 47 Q 3.7492 8.8658 123.1870 58.9276 29.2200 176.5915 48 F 4.9477 8.1913 117.6792 55.1285 41.6830 176.6503 49 G 4.8140 8.4165 109.6307 44.3017 0.0000 174.1279 50 D 4.6523 8.0667 119.5806 52.7785 41.5542 174.4821 51 N 5.2425 8.7559 123.8505 52.6986 39.1653 175.6508 52 T 4.0552 8.4200 109.1016 63.6451 69.2021 174.3803 53 Q 4.6293 8.0060 121.9638 55.1777 30.3487 175.4841 54 G 3.9324 7.8959 108.4519 47.0672 0.0000 176.4320 55 C 4.4878 8.5755 117.0262 58.6038 39.5617 175.7063 56 T 3.9046 7.6139 117.4757 66.6191 67.8304 175.6597 57 S 4.6040 7.8669 111.4876 59.0076 63.6499 175.1107 58 A 4.6916 7.4295 126.2293 53.9807 18.3073 178.8850 59 G 3.8549 7.9231 104.9307 44.0719 0.0000 170.8756 60 P 4.7135 0.0000 0.0000 61.9173 33.8064 175.1536 61 H 4.5547 8.2487 116.3430 55.5027 29.6200 175.6269 62 F 4.2769 9.2164 124.8676 58.6017 40.1645 174.2291 63 N 4.6732 8.2676 125.8104 51.1376 37.9063 172.6816 64 P 4.2693 0.0000 0.0000 65.2913 31.9581 178.1842 65 L 4.2984 7.7040 115.7050 53.9550 41.8135 176.2756 66 S 3.6481 7.5063 113.3456 59.5127 60.7901 172.3188 67 K 4.5558 8.0723 118.4989 55.5337 34.2522 176.7450 68 K 4.5129 8.2300 120.1834 55.2209 34.5469 176.2310 69 H 4.1165 8.9193 123.0797 56.7939 30.6895 174.8887 70 G 4.0728 7.6821 113.1679 43.4290 0.0000 170.9983 71 G 4.1151 8.8151 108.6389 42.5094 0.0000 172.7242 72 P 4.2205 0.0000 0.0000 65.8057 30.8776 177.7913 73 K 4.1691 7.8686 115.1181 57.1388 32.4289 176.8088 74 D 4.5839 7.7551 121.1244 54.7136 41.4488 176.5452 75 E 4.1794 8.5258 115.9886 57.0773 30.4461 176.5475 76 E 4.3904 7.7805 120.3165 54.8643 28.6343 174.5105 77 R 5.1540 7.4922 119.3950 55.4288 32.5351 174.8858 78 H 4.7575 9.5760 116.5905 54.7506 29.4488 176.9397 79 V 3.4341 8.0912 121.9293 66.1669 31.6282 177.2884 80 G 3.8078 8.7807 106.9183 47.7995 0.0000 173.4536 81 D 4.9958 8.0855 120.5783 54.0665 40.1260 175.6304 82 L 4.6194 8.3284 121.9006 52.8491 42.9763 178.0452 83 G 4.0042 8.5092 113.4380 46.8913 0.0000 176.4113 84 N 5.6466 8.8870 118.1766 51.2144 42.2311 172.4986 85 V 4.4251 9.0369 114.3296 59.8672 35.6717 174.8914 86 T 4.9373 8.1502 118.2254 61.7554 71.4017 173.1256 87 A 4.6123 9.8224 130.5857 51.3461 20.3178 177.5399 88 D 4.8162 8.6865 122.4850 52.1064 41.4658 176.9283 89 K 4.0874 8.6019 117.2750 60.4832 32.3821 177.7784 90 N 4.3772 8.1382 114.7872 54.3190 38.9335 175.8417 91 G 4.3766 8.4268 107.4066 44.0565 0.0000 172.4174 92 V 4.7147 7.9417 120.2239 61.2789 33.3306 174.3737 93 A 5.2846 8.9953 130.2296 49.5346 21.2367 174.9789 94 I 4.4393 8.2624 123.9729 59.9832 38.8183 175.4601 95 V 3.8956 8.7370 128.3017 61.8865 33.0154 174.7759 96 D 5.1589 8.4001 127.1789 53.6217 42.4653 173.5837 97 I 4.7221 9.1176 125.6066 58.9314 41.5816 174.6004 98 V 4.8240 8.4425 124.3235 61.3067 33.7580 174.0179 99 D 5.1353 9.3202 128.3572 52.0369 43.9011 174.4025 100 P 4.9414 0.0000 0.0000 62.2638 32.5552 175.9950 101 L 4.2059 8.0555 120.5589 56.8288 42.7885 176.9025 102 I 4.0858 7.9202 110.7033 60.9315 38.3274 174.9710 103 S 4.7227 8.4663 115.2327 57.0981 65.4713 174.3613 104 L 4.4777 8.4549 123.4508 54.7356 41.9717 176.3945 105 S 4.5042 7.7156 111.9867 58.1391 66.1970 175.6417 106 G 3.7212 8.6570 111.0454 45.4805 0.0000 174.2482 *107 E 3.9863 8.5712 113.7060 59.0811 29.8475 173.3347 108 Y 5.1015 7.2338 115.7930 57.7966 38.2095 175.0310 109 S 4.3711 7.8576 115.4186 58.6562 62.9269 173.9922 110 I 3.9340 8.5897 120.1614 60.3644 38.0303 175.6038 111 I 3.7206 7.0631 122.9270 63.0316 37.3828 176.5229 112 G 3.8213 9.4826 113.2388 45.3345 0.0000 172.8881 113 R 4.6547 7.5317 118.8232 54.8167 33.6174 174.7649 114 T 4.9612 7.8403 115.0568 62.2812 70.9290 173.8437 115 M 4.6752 8.8204 126.7367 54.6353 34.0170 174.8771 116 V 4.9336 8.8434 126.0697 60.9410 35.1873 174.1742 117 V 4.9609 8.4267 127.0278 60.5069 33.4282 175.0128 118 H 5.1971 9.6257 123.4386 54.4551 30.1646 175.2771 119 E 4.1651 9.3145 121.9966 59.1762 29.9737 176.9433 120 K 4.6580 8.3538 118.0050 53.6363 35.4886 174.2156 121 P 4.7377 0.0000 0.0000 62.4462 31.8422 175.9382 122 D 4.7304 10.2989 122.2575 53.7686 41.3340 176.2177 123 D 4.5127 9.5455 126.1485 53.5204 39.6945 176.9113 124 L 3.5244 8.9812 118.6425 56.0133 39.5907 175.3256 125 G 4.3140 8.7097 104.1552 46.8661 0.0000 174.8705 126 R 4.6304 7.8848 117.2591 55.7617 30.6301 177.0098 127 G 3.8458 7.5607 106.4597 43.9699 0.0000 174.5453 128 G 3.9369 8.1664 107.6089 45.6121 0.0000 173.1649 129 N 4.7736 7.5613 112.1282 51.3644 40.2362 174.3795 130 E 4.0237 8.7973 121.4601 59.2925 30.3073 178.2866 131 E 3.8631 8.4527 118.8678 59.7487 29.4974 178.7260 132 S 4.0816 9.5028 114.2065 61.3082 62.3548 175.5317 133 T 4.2760 8.5987 111.1303 62.5804 68.6621 176.0315 134 K 4.2652 7.7072 120.2682 57.8639 33.4344 176.8694 135 T 4.1821 7.8822 106.0052 60.1765 70.1414 175.2311 136 G 4.1918 7.9751 110.3736 45.2918 0.0000 173.2677 137 N 4.2758 7.7733 114.5588 53.9167 36.8301 175.6758 138 A 4.4173 7.5975 119.2817 52.2621 19.3726 180.0624 139 G 3.8356 7.4551 104.0363 45.0751 0.0000 173.7611 140 S 4.3330 7.8067 114.2966 59.1985 64.3417 174.1146 141 R 4.5372 8.3585 119.9456 55.2192 30.6690 176.3103 142 L 4.3409 9.1286 125.2363 57.0986 43.0580 176.9686 143 A 5.1577 7.7277 118.5256 50.8091 23.0805 173.7472 144 C 5.6028 8.7669 113.4089 55.4315 46.6558 173.0194 145 G 4.9216 8.2457 105.1330 45.4091 0.0000 172.0953 146 V 4.3628 8.2434 121.6327 62.2313 32.8695 175.5756 147 I 4.1470 9.1410 129.5085 61.0489 38.0280 175.4383 148 G 4.4062 8.8064 114.3924 43.9027 0.0000 172.0401 149 I 4.4032 8.2781 121.0560 61.1037 37.6013 175.6637 150 A 4.8316 8.2110 128.0277 49.3975 22.1060 176.3973 151 K 4.0719 8.5009 118.7879 56.7959 32.3228 176.8332 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 1 A 8.25 4.36 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 8.47 4.49 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 1.23 0.00 0.00 3 K 8.36 5.26 0.00 1.89 1.76 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.44 7.81 4 A 8.95 5.31 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.77 5.12 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 0.66 0.00 0.00 0.87 0.00 0.00 6 C 9.38 5.03 0.00 3.27 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 7 V 8.45 4.67 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 0.97 0.00 0.00 0.95 0.00 0.00 8 L 9.36 4.92 0.00 1.62 1.61 1.07 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.90 4.83 0.00 1.69 1.63 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.40 7.81 10 G 8.02 4.67 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 0.00 0.00 0.00 11 D 8.84 4.57 0.00 2.68 2.73 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 12 G 7.62 4.37 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 0.00 13 P 0.00 4.45 0.00 2.18 2.17 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 14 V 7.79 4.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.91 0.00 0.00 15 Q 7.87 4.81 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.31 1.91 0.00 16 G 7.87 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.87 5.21 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 1.23 0.00 0.00 18 I 8.83 4.80 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.37 0.54 0.00 0.00 19 H 8.93 5.31 0.00 3.02 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 9.23 5.39 0.00 2.97 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 21 E 8.86 5.22 0.00 2.05 1.78 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 2.24 2.31 0.00 22 A 9.19 4.76 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 K 8.72 4.40 0.00 1.94 1.75 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.21 7.81 24 G 8.33 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 25 D 8.90 4.84 0.00 2.72 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 26 T 7.85 4.84 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 1.23 0.00 0.00 27 V 8.97 4.81 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 1.30 0.00 0.00 1.06 0.00 0.00 28 V 9.18 4.60 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 0.87 0.00 0.00 0.96 0.00 0.00 29 V 8.95 4.59 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 0.79 0.00 0.00 1.04 0.00 0.00 30 T 8.60 5.50 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 1.18 0.00 0.00 31 G 8.46 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 0.00 0.00 0.00 0.00 32 S 8.39 5.10 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 33 I 9.02 4.89 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.95 0.00 0.00 34 T 8.81 4.87 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 1.19 0.00 0.00 35 G 8.81 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 0.00 0.00 0.00 36 L 7.67 4.44 0.00 1.89 1.49 0.83 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.25 4.25 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 1.24 0.00 0.00 38 E 8.72 3.99 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 39 G 8.99 3.67 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 0.00 0.00 0.00 40 D 8.33 5.05 0.00 2.52 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 41 H 9.63 5.03 0.00 3.00 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 9.10 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 43 F 9.38 5.32 0.00 2.95 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 44 H 8.78 5.08 0.00 3.11 2.90 0.00 5.67 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 45 V 8.44 4.49 2.16 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 0.90 0.00 0.00 0.92 0.00 0.00 46 H 9.08 4.84 0.00 3.13 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.87 3.75 0.00 1.74 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.67 0.00 0.00 0.00 0.00 0.00 1.59 2.23 0.00 48 F 8.19 4.95 0.00 3.21 2.87 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 49 G 8.42 4.81 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 0.00 0.00 0.00 50 D 8.07 4.65 0.00 2.65 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.76 5.24 0.00 2.68 2.75 0.00 0.00 7.37 7.70 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 52 T 8.42 4.06 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 1.22 0.00 0.00 53 Q 8.01 4.63 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.67 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 54 G 7.90 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 55 C 8.58 4.49 0.00 2.98 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 7.61 3.90 4.53 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 1.23 0.00 0.00 57 S 7.87 4.60 0.00 4.03 3.97 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 58 A 7.43 4.69 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.92 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 0.00 0.00 0.00 60 P 0.00 4.71 0.00 2.03 2.20 0.00 3.65 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 2.03 1.98 0.00 61 H 8.25 4.55 0.00 2.87 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 F 9.22 4.28 0.00 2.87 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 63 N 8.27 4.67 0.00 2.58 2.47 0.00 0.00 6.91 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 64 P 0.00 4.27 0.00 2.30 2.08 0.00 3.20 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.40 0.00 65 L 7.70 4.30 0.00 1.56 1.69 0.75 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.51 3.65 0.00 4.00 3.92 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 67 K 8.07 4.56 0.00 1.77 1.71 0.00 1.65 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 68 K 8.23 4.51 0.00 1.61 1.67 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.52 7.81 69 H 8.92 4.12 0.00 3.32 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 7.68 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 0.00 0.00 0.00 0.00 71 G 8.82 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 0.00 0.00 0.00 72 P 0.00 4.22 0.00 2.20 2.24 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 73 K 7.87 4.17 0.00 1.74 1.89 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.52 7.81 74 D 7.76 4.58 0.00 2.77 2.56 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 75 E 8.53 4.18 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 2.17 1.85 0.00 76 E 7.78 4.39 0.00 1.99 1.84 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 2.27 2.28 0.00 77 R 7.49 5.15 0.00 1.92 1.85 0.00 2.84 0.00 0.00 3.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 78 H 9.58 4.76 0.00 3.52 3.37 0.00 5.65 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 79 V 8.09 3.43 1.42 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 0.68 0.00 0.00 0.29 0.00 0.00 80 G 8.78 3.81 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 0.00 0.00 0.00 81 D 8.09 5.00 0.00 2.67 2.73 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 82 L 8.33 4.62 0.00 1.88 1.85 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 83 G 8.51 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 84 N 8.89 5.65 0.00 2.58 2.68 0.00 0.00 6.60 7.68 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 85 V 9.04 4.43 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 0.09 0.00 0.00 0.77 0.00 0.00 86 T 8.15 4.94 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 1.31 0.00 0.00 87 A 9.82 4.61 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 88 D 8.69 4.82 0.00 2.90 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 89 K 8.60 4.09 0.00 2.14 1.99 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.04 7.81 90 N 8.14 4.38 0.00 2.92 2.91 0.00 0.00 7.13 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 91 G 8.43 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.94 4.71 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 0.97 0.00 0.00 0.91 0.00 0.00 93 A 9.00 5.28 1.14 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 0.00 0.00 94 I 8.26 4.44 1.82 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 1.19 0.88 0.87 0.00 0.00 95 V 8.74 3.90 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.50 0.00 0.00 96 D 8.40 5.16 0.00 2.64 2.49 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 97 I 9.12 4.72 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.99 0.00 0.00 98 V 8.44 4.82 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 0.80 0.00 0.00 0.94 0.00 0.00 99 D 9.32 5.14 0.00 2.84 2.51 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 0.00 100 P 0.00 4.94 0.00 2.21 2.15 0.00 3.41 0.00 0.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 101 L 8.06 4.21 0.00 1.64 1.60 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.92 4.09 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.81 1.04 0.00 0.00 103 S 8.47 4.72 0.00 3.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.45 4.48 0.00 1.75 1.72 0.99 0.70 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 0.00 105 S 7.72 4.50 0.00 3.92 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 0.00 106 G 8.66 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 E 8.57 3.99 0.00 2.00 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 2.23 1.91 0.00 108 Y 7.23 5.10 0.00 3.11 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 0.00 109 S 7.86 4.37 0.00 3.87 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 0.00 110 I 8.59 3.93 1.65 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.26 1.03 0.00 0.00 111 I 7.06 3.72 1.79 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 1.13 0.74 0.84 0.00 0.00 112 G 9.48 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 0.00 0.00 0.00 113 R 7.53 4.65 0.00 1.71 1.78 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.26 0.00 114 T 7.84 4.96 4.28 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 1.23 0.00 0.00 115 M 8.82 4.68 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 116 V 8.84 4.93 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 0.71 0.00 0.00 0.76 0.00 0.00 117 V 8.43 4.96 2.28 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 0.95 0.00 0.00 1.02 0.00 0.00 118 H 9.63 5.20 0.00 3.27 3.58 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 E 9.31 4.17 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 120 K 8.35 4.66 0.00 1.76 1.71 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.55 7.81 121 P 0.00 4.74 0.00 2.04 1.96 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.18 0.00 122 D 10.30 4.73 0.00 2.75 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 0.00 123 D 9.55 4.51 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 0.00 124 L 8.98 3.52 0.00 1.85 1.79 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.71 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 0.00 0.00 0.00 0.00 126 R 7.88 4.63 0.00 2.24 1.91 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 127 G 7.56 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 0.00 0.00 0.00 128 G 8.17 3.94 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 0.00 0.00 0.00 129 N 7.56 4.77 0.00 2.77 2.75 0.00 0.00 6.26 7.66 0.00 0.00 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 E 8.80 4.02 0.00 2.02 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 2.37 2.30 0.00 131 E 8.45 3.86 0.00 2.11 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 2.38 2.56 0.00 132 S 9.50 4.08 0.00 4.00 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 0.00 133 T 8.60 4.28 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 1.30 0.00 0.00 134 K 7.71 4.27 0.00 1.83 1.85 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.46 7.81 135 T 7.88 4.18 4.17 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 1.22 0.00 0.00 136 G 7.98 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 0.00 137 N 7.77 4.28 0.00 2.99 2.87 0.00 0.00 6.92 7.36 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 0.00 138 A 7.60 4.42 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 0.00 139 G 7.46 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 0.00 140 S 7.81 4.33 0.00 4.07 4.06 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 0.00 141 R 8.36 4.54 0.00 1.67 1.79 0.00 3.26 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 142 L 9.13 4.34 0.00 1.68 1.69 0.94 0.59 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 0.00 143 A 7.73 5.16 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 0.00 0.00 0.00 0.00 0.00 144 C 8.77 5.60 0.00 3.03 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 0.00 145 G 8.25 4.92 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 0.00 0.00 0.00 146 V 8.24 4.36 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 0.78 0.00 0.00 0.98 0.00 0.00 147 I 9.14 4.15 1.79 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.42 0.38 0.00 0.00 148 G 8.81 4.41 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 0.00 149 I 8.28 4.40 1.86 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 1.26 0.54 0.91 0.00 0.00 150 A 8.21 4.83 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 0.00 151 K 8.50 4.07 0.00 1.75 1.73 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.