NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3478 8.3149 120.1413 55.4143 33.8969 175.5188 2 P 4.2419 0.0000 0.0000 61.7662 32.1161 176.0591 3 A 4.2313 8.4894 123.6271 54.8212 19.0379 179.7277 4 S 4.1773 8.1985 112.0632 62.1941 62.7125 176.3842 5 M 3.9823 7.7409 120.7962 57.4660 30.3284 176.4653 6 Y 4.8459 8.2874 113.7817 56.9972 40.4274 177.3167 7 R 4.4074 7.9862 116.5335 58.0001 29.8640 176.4957 8 D 4.9922 7.2469 117.2219 53.4897 42.1743 176.9834 9 I 4.3080 7.9340 123.2793 59.8893 35.6896 175.1680 10 D 5.0045 8.0574 119.9855 52.3535 40.0552 176.7904 11 K 4.6538 7.6490 116.7148 54.4996 36.1596 174.1415 12 P 4.4000 0.0000 0.0000 62.3261 31.8645 176.1844 13 A 4.3177 8.4117 123.1322 52.4934 18.8529 177.3653 14 Y 4.9090 9.9778 125.1415 55.6357 38.8084 175.2768 15 T 4.4151 7.9807 111.7200 60.2517 70.7699 175.0885 16 R 4.0368 7.7714 121.3742 56.2823 29.2844 177.2039 17 R 3.9199 8.3874 123.8390 58.6003 30.3353 179.1471 18 E 3.9237 7.8570 114.5126 58.1178 29.7470 176.8217 19 Y 4.7896 7.6439 114.7306 57.3525 39.3250 175.1365 20 I 4.6193 7.3950 119.9158 59.5226 40.0863 174.8544 21 T 4.5805 8.3500 114.2097 60.8511 71.5835 173.7477 22 G 3.8323 8.8251 108.4611 46.0565 0.0000 173.5609 23 I 3.8354 7.6198 120.4387 59.9814 37.1770 174.4252 24 P 4.3307 0.0000 0.0000 62.4492 31.7888 176.7362 25 G 3.7667 8.2977 109.9855 45.2389 0.0000 173.4964 26 S 4.2405 8.3044 114.9211 58.0038 63.0105 174.2634 27 K 4.3643 8.6585 122.9569 56.3586 32.5789 176.8186 28 I 4.1215 7.4739 120.7598 60.8751 36.9179 175.8946 29 A 4.2509 9.4843 130.3746 54.6839 18.6745 177.5501 30 Q 4.7116 7.6710 111.9115 55.2440 32.9746 173.7720 31 H 4.6675 8.9449 117.0096 55.7317 31.6377 174.1862 32 K 4.9053 8.1894 117.1842 54.8729 34.2717 175.3869 33 M 4.6852 9.2807 124.4667 53.9066 36.1503 176.0559 34 G 3.2797 8.6952 105.9220 46.3523 0.0000 176.2091 35 R 4.2390 8.1927 117.7106 54.7401 28.6998 176.7021 36 K 4.3274 8.2208 117.4641 57.5103 32.7829 178.4324 37 Q 4.2778 7.8386 118.6045 56.7990 29.6338 175.7424 38 K 4.3747 7.4743 118.0235 55.0510 33.7025 175.8463 39 D 4.6165 8.5792 123.7472 53.6635 41.6346 177.5494 40 A 3.7607 8.1208 122.9637 54.6243 18.7274 178.9935 41 D 4.5411 7.9374 115.2428 57.1722 41.1071 177.4243 42 D 4.8283 7.6290 116.4485 54.5183 40.4001 175.4611 43 Y 4.8187 7.6093 116.3701 55.6818 41.1643 174.3375 44 P 4.4903 0.0000 0.0000 64.3070 32.2036 176.7001 45 V 5.3480 7.8140 117.8544 60.1372 34.6313 174.5279 46 Q 4.5912 8.6656 127.2874 54.6157 32.0785 173.2834 47 I 4.9893 8.4432 127.7167 59.6252 40.4501 175.2463 48 S 5.2621 9.0712 122.1626 56.6593 66.7710 172.8208 49 L 4.6362 8.3909 124.6579 53.7349 43.4516 175.0307 50 I 4.8703 8.7415 128.2139 59.5807 39.4992 175.3819 51 V 4.1118 8.5337 127.2423 62.9981 32.1391 176.2747 52 E 4.0421 8.9018 126.3313 57.0381 30.1770 176.1621 53 E 4.7423 7.8688 117.5213 54.3347 33.5254 175.2163 54 T 4.3520 8.3502 118.2876 63.9046 69.3608 174.3897 55 V 4.5777 8.5753 118.1365 61.0406 36.9766 171.9957 56 Q 5.1180 8.9873 119.9708 54.3487 31.8154 175.1488 57 L 4.8251 8.7858 123.8714 52.7149 44.4270 176.7610 58 R 4.5116 8.6210 123.4983 55.9185 31.0380 177.4818 59 H 4.2950 8.9892 117.5662 58.9824 28.0669 178.2167 60 G 3.4983 7.7816 107.6625 47.2700 0.0000 175.5470 61 S 4.2981 8.3041 117.7310 60.9385 63.0207 176.5782 62 L 4.0327 7.7746 121.3366 57.6773 41.3926 178.9150 63 E 3.9018 8.3246 119.0159 59.2105 29.5279 178.7063 64 A 3.9981 7.7730 121.0950 55.0704 18.3391 179.8056 65 S 3.9886 8.1488 112.7177 61.6343 63.2385 176.4752 66 R 3.6803 8.3987 123.4650 58.6777 29.7445 178.0309 67 L 3.9282 8.2833 120.5412 58.2224 42.0198 178.8108 68 S 4.2335 8.2554 111.2321 59.6921 63.1089 174.7192 69 A 4.4564 7.3616 124.1727 54.2429 19.9481 178.4640 70 N 4.2016 8.5230 115.8143 56.5148 38.8768 176.7896 71 R 3.8478 8.2294 120.6626 59.8090 30.0477 177.9155 72 H 4.0252 8.0702 117.1538 59.3647 29.9591 177.0281 73 L 3.6278 7.7274 120.5963 57.5375 41.1999 179.7187 74 I 3.9908 7.8200 120.1919 64.1959 36.9641 178.3030 75 K 4.0500 8.0592 119.5209 58.8214 32.0510 177.8517 76 E 4.2591 8.0430 117.2865 56.4149 30.5299 176.4993 77 L 4.5456 8.1085 116.7120 53.6450 43.8416 177.4918 78 G 4.2107 8.4798 104.6577 45.3994 0.0000 174.4253 79 E 4.2321 8.4892 117.8913 58.1429 29.4134 178.0995 80 E 4.6213 7.9383 115.6574 56.1343 32.1109 175.2458 81 G 4.2052 7.9323 107.7224 45.3170 0.0000 174.4340 82 D 4.6970 8.4967 121.6256 52.5254 39.5830 174.0762 83 Y 5.0838 7.2251 121.3513 55.9345 42.2389 174.0540 84 K 4.8178 8.5854 116.2391 56.2350 36.3334 174.2840 85 M 5.4210 8.8797 123.6513 54.0850 36.0463 174.0656 86 T 5.1899 9.4522 121.1058 61.7900 72.5109 172.8058 87 L 4.1225 9.1214 129.7159 53.6726 42.0122 176.1200 88 R 4.4247 8.3823 122.8372 56.4846 30.1323 176.5767 89 K 4.7526 7.6133 118.9373 54.7078 34.6909 175.2539 90 F 4.7293 8.5739 120.3909 54.8789 41.6759 174.6728 91 P 4.6942 0.0000 0.0000 63.0665 29.3475 175.2914 92 H 4.4914 8.3004 123.8527 58.4552 29.7529 175.9165 93 Q 4.3315 8.1816 122.3344 55.9793 29.7559 175.3811 94 V 4.5587 8.8199 127.6616 62.1680 32.7678 174.9888 95 L 4.9025 8.8856 127.1425 53.1894 44.6603 175.7620 96 R 5.2830 8.3311 120.1305 54.8478 34.1569 174.6030 97 E 4.4948 8.4851 118.6531 55.8547 33.4852 174.3099 98 N 4.6465 8.9374 126.8834 52.3449 37.6567 173.5982 99 K 4.1763 7.8268 123.2504 54.2036 31.9128 174.0850 *111 D 4.4209 8.0317 122.5146 54.9677 43.2916 174.5361 112 G 3.9015 8.7273 114.8122 46.3638 0.0000 172.8331 113 M 4.3637 9.1158 121.6387 54.7715 32.5846 175.8757 114 R 3.8691 7.8735 119.8784 57.4446 31.2955 176.1181 115 A 3.7706 8.6147 126.9221 53.3619 15.9283 177.0664 116 A 4.2805 7.7930 123.0831 53.5592 19.4607 178.2769 117 F 3.8137 8.4578 117.2771 58.5747 39.5628 175.2953 118 G 3.9353 7.6950 114.8677 45.5938 0.0000 173.0353 119 K 4.5939 8.4008 119.7793 55.8719 34.6819 176.2774 120 I 4.4281 8.3391 122.7704 61.8920 37.0503 176.2422 121 V 4.3114 8.5593 118.8721 60.9931 34.1098 175.6196 122 G 4.1132 7.2382 104.8555 46.5946 0.0000 172.1222 123 T 5.3798 7.8352 108.0004 60.4798 72.7731 172.5763 124 A 5.0987 9.2412 123.0242 50.8690 23.5034 174.6858 125 A 5.0139 8.9717 121.4586 50.2068 21.6171 176.2389 126 R 4.6660 8.6127 121.7655 55.5291 31.4353 176.1399 127 V 4.5120 8.9444 124.0470 61.1366 34.6018 174.9812 128 Q 4.4667 9.5929 127.3564 54.7786 29.6466 175.5346 129 A 4.2573 7.9622 124.2104 53.9335 18.8187 178.4557 130 G 3.9821 9.6588 111.5365 45.1044 0.0000 173.8482 131 E 4.3540 7.7576 118.7892 55.9755 31.3556 175.7469 132 Q 4.6449 8.3850 120.9400 55.2773 29.4303 175.5634 133 L 3.9904 9.0524 127.6585 57.4964 43.0648 176.4136 134 F 5.3989 7.8429 115.9681 56.1126 43.1508 174.3329 135 T 5.1406 8.8425 116.4001 62.4396 73.0862 173.0283 136 A 5.2211 9.5334 127.9275 50.2897 23.2496 174.5687 137 Y 5.0764 8.8203 116.5632 56.4229 41.6583 174.7571 138 C 5.4257 8.9175 118.3747 56.7608 34.2047 172.9230 139 N 5.0051 8.7969 115.4882 52.0487 39.2710 176.7701 140 V 3.6878 8.4873 120.4358 65.8514 31.5218 177.5893 141 E 4.0935 8.2093 119.0892 60.0139 29.5119 178.1659 142 D 4.7884 8.0764 115.9983 54.6668 40.8368 178.0930 143 A 3.9578 7.6898 124.4216 55.1082 18.1396 180.0424 144 E 4.1311 7.9368 116.0478 58.8904 29.9161 178.5079 145 H 4.3104 7.7284 116.8570 58.3292 28.6996 177.9733 146 V 3.3298 7.4586 120.7841 64.3205 31.4005 178.4963 147 K 3.8837 7.4690 117.5270 58.7995 31.8632 178.7613 148 E 3.8908 7.7399 119.7405 58.6739 29.4767 178.3967 149 A 3.8519 7.4937 120.5037 55.0429 18.3496 179.6490 150 F 4.3864 7.9840 116.4234 60.4577 38.1724 177.8898 151 R 2.8116 7.5325 118.4557 59.2674 29.6087 178.7998 152 R 3.9228 7.4423 115.8121 58.3449 30.2939 178.6197 153 A 4.0750 7.3806 121.1755 54.9843 18.4240 178.7591 154 Y 4.3928 7.8648 113.7183 58.8028 38.2440 176.8728 155 N 4.8473 7.4290 118.1132 54.2192 38.9573 175.4834 156 K 4.6480 7.8152 119.1484 55.6197 32.8697 175.6480 157 I 4.7265 7.4572 110.9904 58.9722 40.2479 174.7937 158 T 3.8363 8.5595 118.1207 66.9289 68.5198 173.3394 159 P 4.5283 0.0000 0.0000 62.3009 32.7094 175.8064 160 S 4.4449 8.1612 114.2220 58.6162 64.2220 173.2548 161 C 5.2702 7.9063 117.7657 58.4510 32.5657 173.4696 162 R 4.5168 8.9212 120.5142 54.7444 32.2925 175.7696 163 I 4.7266 8.4786 124.9856 60.3343 37.3869 173.9245 164 D 4.7398 8.8230 127.6581 52.8340 43.0977 175.1067 165 S 4.9001 8.5810 120.9184 55.9703 62.6986 174.4164 166 S 4.8805 8.8825 132.1000 56.8875 64.5110 174.9195 167 P 4.1405 0.0000 0.0000 64.9577 31.8676 173.9707 168 A 5.0995 8.0027 127.2815 52.1201 19.8046 175.8853 169 G 4.1611 8.4103 113.6419 45.6911 0.0000 171.8681 170 N 4.8858 8.1011 113.9376 51.8110 38.1822 175.0799 171 A 4.2592 7.4450 124.3844 52.3961 19.4476 176.2408 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 K 8.31 4.35 0.00 1.88 1.95 0.00 2.15 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 2 P 0.00 4.24 0.00 2.25 1.97 0.00 3.60 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 3 A 8.49 4.23 1.36 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 0.00 0.00 0.00 4 S 8.20 4.18 0.00 4.00 4.03 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 5 M 7.74 3.98 0.00 1.11 2.03 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.35 0.00 6 Y 8.29 4.85 0.00 2.98 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 7 R 7.99 4.41 0.00 2.02 2.31 0.00 3.13 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 8 D 7.25 4.99 0.00 2.94 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 9 I 7.93 4.31 1.89 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 1.50 0.56 0.93 0.00 0.00 10 D 8.06 5.00 0.00 2.71 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 11 K 7.65 4.65 0.00 1.72 1.67 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.44 7.81 12 P 0.00 4.40 0.00 2.09 2.04 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 13 A 8.41 4.32 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 14 Y 9.98 4.91 0.00 2.90 2.89 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 15 T 7.98 4.42 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 16 R 7.77 4.04 0.00 2.05 2.15 0.00 3.32 0.00 0.00 3.39 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 17 R 8.39 3.92 0.00 1.75 1.91 0.00 3.25 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.52 0.00 18 E 7.86 3.92 0.00 1.32 1.74 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 1.85 1.47 0.00 19 Y 7.64 4.79 0.00 2.95 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 20 I 7.39 4.62 1.77 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.84 0.00 0.00 21 T 8.35 4.58 4.25 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 1.21 0.00 0.00 22 G 8.83 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 23 I 7.62 3.84 1.85 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 1.40 0.56 0.88 0.00 0.00 24 P 0.00 4.33 0.00 2.01 2.00 0.00 3.66 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 25 G 8.30 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 26 S 8.30 4.24 0.00 3.83 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 27 K 8.66 4.36 0.00 1.77 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.51 7.81 28 I 7.47 4.12 1.87 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.68 0.00 0.00 29 A 9.48 4.25 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 30 Q 7.67 4.71 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 31 H 8.94 4.67 0.00 3.14 3.36 0.00 5.75 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.19 4.91 0.00 1.66 1.77 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.53 7.81 33 M 9.28 4.69 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 34 G 8.70 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 0.00 0.00 0.00 35 R 8.19 4.24 0.00 1.86 1.87 0.00 3.14 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 36 K 8.22 4.33 0.00 1.88 1.92 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 Q 7.84 4.28 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 38 K 7.47 4.37 0.00 1.76 1.92 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.49 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.52 1.41 7.81 39 D 8.58 4.62 0.00 2.94 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 40 A 8.12 3.76 0.24 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 41 D 7.94 4.54 0.00 2.73 2.75 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 0.00 0.00 0.00 0.00 42 D 7.63 4.83 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.61 4.82 0.00 3.12 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.49 0.00 2.11 2.15 0.00 3.97 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 45 V 7.81 5.35 2.33 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 1.08 0.00 0.00 0.97 0.00 0.00 46 Q 8.67 4.59 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.18 1.85 0.00 47 I 8.44 4.99 1.84 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 1.23 0.81 1.08 0.00 0.00 48 S 9.07 5.26 0.00 3.75 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 49 L 8.39 4.64 0.00 0.52 1.18 1.00 0.93 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 50 I 8.74 4.87 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 0.99 0.00 0.00 51 V 8.53 4.11 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 0.94 0.00 0.00 0.91 0.00 0.00 52 E 8.90 4.04 0.00 1.94 1.94 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 2.25 2.33 0.00 53 E 7.87 4.74 0.00 1.88 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 2.18 2.27 0.00 54 T 8.35 4.35 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 1.29 0.00 0.00 55 V 8.58 4.58 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 0.59 0.00 0.00 0.98 0.00 0.00 56 Q 8.99 5.12 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 57 L 8.79 4.83 0.00 1.52 1.55 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.62 4.51 0.00 1.85 1.81 0.00 2.89 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 59 H 8.99 4.29 0.00 3.35 3.52 0.00 5.27 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.78 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 61 S 8.30 4.30 0.00 4.03 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 62 L 7.77 4.03 0.00 1.76 1.64 0.80 0.90 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 63 E 8.32 3.90 0.00 2.13 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 2.40 2.37 0.00 64 A 7.77 4.00 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 65 S 8.15 3.99 0.00 4.21 4.20 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 66 R 8.40 3.68 0.00 2.30 2.10 0.00 3.27 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 67 L 8.28 3.93 0.00 2.11 1.84 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.26 4.23 0.00 3.99 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 0.00 69 A 7.36 4.46 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 70 N 8.52 4.20 0.00 2.85 2.85 0.00 0.00 6.91 7.51 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 71 R 8.23 3.85 0.00 2.04 1.91 0.00 3.13 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 72 H 8.07 4.03 0.00 3.19 3.33 0.00 5.93 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 73 L 7.73 3.63 0.00 1.54 0.66 0.40 0.53 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 74 I 7.82 3.99 2.06 0.00 0.00 0.91 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 0.88 0.94 0.00 0.00 75 K 8.06 4.05 0.00 1.68 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 76 E 8.04 4.26 0.00 1.68 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 1.94 2.08 0.00 77 L 8.11 4.55 0.00 1.88 1.76 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.48 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 0.00 0.00 0.00 0.00 79 E 8.49 4.23 0.00 1.98 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 2.33 2.36 0.00 80 E 7.94 4.62 0.00 1.90 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 2.20 2.30 0.00 81 G 7.93 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 0.00 0.00 0.00 0.00 82 D 8.50 4.70 0.00 2.69 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 83 Y 7.23 5.08 0.00 3.15 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 84 K 8.59 4.82 0.00 1.96 1.83 0.00 1.34 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.84 1.34 7.81 85 M 8.88 5.42 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.73 0.00 86 T 9.45 5.19 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 1.39 0.00 0.00 87 L 9.12 4.12 0.00 1.54 1.41 0.09 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.38 4.42 0.00 1.93 2.07 0.00 3.09 0.00 0.00 3.35 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 89 K 7.61 4.75 0.00 1.57 1.69 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.23 1.28 7.81 90 F 8.57 4.73 0.00 2.74 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.69 0.00 2.16 2.09 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 92 H 8.30 4.49 0.00 3.21 3.39 0.00 5.70 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 93 Q 8.18 4.33 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 94 V 8.82 4.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.86 0.00 0.00 95 L 8.89 4.90 0.00 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7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 115 A 8.61 3.77 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 0.00 116 A 7.79 4.28 1.36 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 0.00 0.00 0.00 117 F 8.46 3.81 0.00 2.96 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 0.00 118 G 7.69 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 0.00 119 K 8.40 4.59 0.00 1.93 1.98 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.44 7.81 120 I 8.34 4.43 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.95 0.00 0.00 121 V 8.56 4.31 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 0.82 0.00 0.00 0.93 0.00 0.00 122 G 7.24 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 0.00 123 T 7.84 5.38 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 1.15 0.00 0.00 124 A 9.24 5.10 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 0.00 125 A 8.97 5.01 1.23 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 0.00 0.00 0.00 126 R 8.61 4.67 0.00 1.74 1.90 0.00 3.19 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 127 V 8.94 4.51 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 1.05 0.00 0.00 0.89 0.00 0.00 128 Q 9.59 4.47 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 129 A 7.96 4.26 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 0.00 130 G 9.66 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 E 7.76 4.35 0.00 2.06 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 2.31 2.40 0.00 132 Q 8.38 4.64 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.06 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 133 L 9.05 3.99 0.00 1.65 1.55 0.65 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.84 5.40 0.00 2.51 2.75 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 0.00 0.00 0.00 0.00 135 T 8.84 5.14 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 0.81 0.00 0.00 136 A 9.53 5.22 1.11 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 0.00 137 Y 8.82 5.08 0.00 2.29 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 C 8.92 5.43 0.00 3.02 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 0.00 139 N 8.80 5.01 0.00 2.87 2.83 0.00 0.00 6.42 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 0.00 140 V 8.49 3.69 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 0.81 0.00 0.00 1.05 0.00 0.00 141 E 8.21 4.09 0.00 2.08 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 2.34 2.31 0.00 142 D 8.08 4.79 0.00 2.73 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 0.00 143 A 7.69 3.96 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 0.00 144 E 7.94 4.13 0.00 1.83 1.90 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 2.31 2.27 0.00 145 H 7.73 4.31 0.00 3.15 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 7.46 3.33 1.75 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 0.69 0.00 0.00 0.09 0.00 0.00 147 K 7.47 3.88 0.00 1.95 1.87 0.00 1.91 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.54 7.81 148 E 7.74 3.89 0.00 2.10 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 2.20 2.08 0.00 149 A 7.49 3.85 1.21 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 0.00 0.00 150 F 7.98 4.39 0.00 3.00 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 0.00 151 R 7.53 2.81 0.00 1.85 1.82 0.00 3.05 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.63 0.00 152 R 7.44 3.92 0.00 1.85 1.84 0.00 3.06 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 153 A 7.38 4.07 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 Y 7.86 4.39 0.00 2.94 3.09 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 0.00 155 N 7.43 4.85 0.00 2.97 2.90 0.00 0.00 6.76 7.49 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 0.00 156 K 7.82 4.65 0.00 1.73 1.78 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.31 7.81 157 I 7.46 4.73 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.73 0.99 0.00 0.00 158 T 8.56 3.84 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 0.00 159 P 0.00 4.53 0.00 2.15 2.06 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 160 S 8.16 4.44 0.00 3.77 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 0.00 161 C 7.91 5.27 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 0.00 162 R 8.92 4.52 0.00 1.70 1.82 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 163 I 8.48 4.73 2.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 1.12 0.00 0.00 164 D 8.82 4.74 0.00 2.76 2.54 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 0.00 165 S 8.58 4.90 0.00 3.93 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 0.00 166 S 8.88 4.88 0.00 4.03 3.36 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 0.00 167 P 0.00 4.14 0.00 2.15 2.12 0.00 3.83 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 2.21 2.19 0.00 168 A 8.00 5.10 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 0.00 169 G 8.41 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 0.00 0.00 0.00 0.00 170 N 8.10 4.89 0.00 2.71 2.79 0.00 0.00 6.84 7.35 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 0.00 171 A 7.44 4.26 1.18 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.