NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.3601 8.0244 121.4158 61.1408 38.8809 174.3336 3 L 4.1660 8.9732 130.0934 54.1160 43.2509 173.7033 4 R 4.9120 8.7674 125.4212 54.4570 33.4044 174.0481 5 E 4.9243 9.3916 125.0423 54.3775 32.3188 174.1752 6 F 5.1067 9.1029 130.0894 57.3549 41.1954 173.8723 7 C 4.4783 7.7536 126.9561 58.2623 31.3339 172.4077 8 A 4.4852 8.2715 128.1295 49.8876 22.2810 174.6954 9 E 4.6124 8.4174 119.9400 55.3286 31.2998 176.3134 10 N 4.2470 8.6706 127.8567 53.0214 37.8659 175.3539 11 L 4.7163 8.0506 122.4688 56.6936 41.0161 178.3089 12 T 3.7807 8.1718 117.7438 67.3462 68.3438 174.8665 13 D 4.8420 7.9800 117.2557 54.1571 41.2326 177.3590 14 L 4.2992 7.7569 122.4046 57.1620 41.9039 179.2050 15 T 4.6153 7.9344 107.1414 63.2291 68.6505 174.5744 16 R 4.3813 7.6934 120.1976 55.8940 30.7709 175.9295 17 L 4.0938 7.6156 117.4197 55.3802 42.3368 175.9460 18 D 4.7421 8.2486 120.6307 51.9864 43.7663 176.4264 19 K 4.7841 8.9813 124.5544 58.7067 32.7671 178.7192 20 A 4.1121 7.7345 121.6581 54.0820 18.5225 178.1261 21 I 4.3112 7.2326 104.3653 61.1071 39.7659 175.8000 22 I 4.3668 8.1387 123.2403 59.3966 38.4440 175.8907 23 S 4.6092 8.4172 120.7717 59.3486 64.7206 173.9063 24 R 5.2601 7.7787 119.7189 54.8745 33.8372 173.7570 25 V 4.9207 8.6269 122.4291 59.9104 35.2901 174.0271 26 E 4.8049 9.2155 125.3731 54.9427 30.7790 174.3340 27 L 4.8156 8.8241 131.2897 54.3751 43.2238 175.3244 28 C 4.7344 8.2440 119.5880 57.8646 33.7690 171.1480 29 D 4.9066 8.6111 117.8502 52.1885 45.0838 174.1711 30 N 4.0996 8.4463 114.3176 54.7500 37.0845 174.9613 31 L 4.1747 8.5751 118.7739 57.0935 42.5125 180.1116 32 A 4.0100 8.0698 121.1432 54.2723 18.4010 178.3141 33 V 4.1479 7.4641 112.6295 61.4484 31.6315 176.8137 34 G 3.9052 7.9116 109.0301 44.8581 0.0000 174.7690 35 G 3.9323 8.2242 108.0804 45.7948 0.0000 173.0077 36 T 4.8010 8.7597 113.3860 59.6402 73.1204 172.9144 37 T 4.3586 8.2624 118.9430 62.9988 68.6008 173.5841 38 P 4.6981 0.0000 0.0000 61.9104 32.8949 176.0785 39 S 4.3859 8.5068 114.6439 58.0918 63.9735 174.7072 40 Y 4.0696 8.8395 121.7229 60.9040 38.5000 178.3974 41 G 3.7268 8.2935 106.1512 47.8936 0.0000 175.6048 42 V 3.6020 7.6945 120.1286 65.6714 31.5475 178.2221 43 I 3.6040 7.6403 119.5420 64.1282 36.9439 178.2553 44 K 3.7478 7.7610 120.2711 59.6957 31.9787 178.7425 45 E 3.9950 8.2294 118.5519 59.1222 29.3199 179.2064 46 A 4.0164 8.3206 121.2512 55.2536 18.4067 179.3082 47 N 4.0579 8.1496 114.9978 56.5820 38.6126 177.4804 48 Q 3.9367 7.8884 120.4022 59.1409 28.7578 177.5626 49 Y 3.9794 8.3862 120.9513 60.7436 38.9143 178.0044 50 L 3.9718 8.7095 120.2800 58.1606 41.6998 179.1424 51 H 4.2405 8.4531 116.5096 58.9295 28.3781 177.4147 52 E 3.9047 7.9796 120.2465 58.6531 29.4624 178.0299 53 K 4.3050 7.2466 115.5474 55.1746 32.6546 176.4359 54 G 3.8120 8.1617 107.0829 46.8481 0.0000 173.8711 55 I 4.7571 7.7522 118.0362 58.7657 41.1846 175.4239 56 S 4.7020 8.7555 124.7258 58.5469 64.7670 173.2918 57 V 4.8178 8.9686 121.0045 61.2521 34.5457 173.9718 58 A 4.8731 9.0829 130.8082 50.4219 20.5396 174.8933 59 V 4.0710 8.6638 130.2992 63.3061 34.3856 176.5792 *61 I 4.1243 8.3195 117.3619 61.2850 38.0274 174.6751 62 R 4.3601 8.8560 126.9559 54.1370 32.4109 174.1577 63 P 4.3206 0.0000 0.0000 64.2157 31.5091 175.7169 64 R 4.2139 7.2538 113.9459 56.2006 30.9935 173.0526 65 G 3.8793 8.5116 107.7792 44.8786 0.0000 174.4288 66 G 3.7004 8.3036 105.0172 44.5530 0.0000 172.7603 67 N 3.9002 8.2393 120.9882 53.8310 39.2641 174.2279 68 F 4.1717 8.1347 114.3213 57.0725 39.6857 175.4914 69 V 4.5615 6.9834 121.1338 60.7142 30.6417 174.1696 70 Y 4.8723 7.8790 124.1258 56.6445 39.4464 176.3163 71 N 4.8124 8.9936 122.0328 51.8070 40.2409 176.0541 72 D 4.4195 8.6316 119.8678 57.7544 40.8023 179.0798 73 L 3.9812 7.9138 119.9432 58.2902 41.9271 178.7310 74 E 4.0185 8.1158 117.1069 59.2803 29.5405 178.8331 75 L 4.0903 7.8083 118.4832 57.5310 42.0615 179.1079 76 R 4.1026 8.0872 118.9585 59.1528 29.8658 178.6771 77 I 3.7627 7.4330 116.4120 62.0722 36.7289 177.2748 *79 E 4.2091 8.1030 123.2010 56.2716 31.6310 177.5064 80 E 3.9238 8.1370 118.6186 59.5274 29.6745 178.6317 81 D 4.4589 8.5186 119.1661 57.1494 40.7791 178.9344 82 I 3.7399 7.5674 120.2509 64.1954 37.2222 178.0712 83 L 4.0113 7.8775 119.8524 57.9275 41.4513 179.9187 84 R 4.0020 7.9982 117.2638 59.1920 30.0492 178.7994 85 A 3.9607 8.1534 120.8969 55.2090 18.3087 180.1383 86 V 3.5866 7.9694 117.8287 64.8649 31.4272 178.4681 87 E 4.0728 8.1187 117.0336 58.2362 29.3977 177.9489 88 L 4.3687 7.5282 118.6644 53.7103 41.9376 175.9842 89 E 3.8110 8.1764 117.0107 57.4474 27.3299 175.2246 90 S 4.4412 7.8212 113.7849 58.9363 63.4697 174.5457 91 D 4.7199 8.4385 122.5228 56.5454 41.5586 176.4097 92 A 4.8196 7.7394 117.8765 50.7604 22.9861 174.8996 93 L 5.1274 8.6294 119.0352 52.8534 45.1527 175.9306 94 V 4.8985 8.7425 124.0658 61.1496 33.3375 174.4526 95 L 4.8006 8.7316 127.4538 54.8447 44.7897 175.0539 96 G 2.9523 7.8138 101.3415 45.1942 0.0000 173.0497 97 I 5.1443 8.1797 126.2476 59.5582 40.7964 174.6197 98 L 5.4727 9.1750 126.2639 53.0720 46.0050 176.5250 99 T 4.3545 8.9647 112.3526 60.3186 70.1386 176.0207 100 S 4.0461 8.5911 116.3670 60.9265 62.8073 174.6707 101 N 4.6794 8.0610 116.8638 52.2167 37.3376 174.2590 102 N 4.2002 8.2876 114.5997 55.4751 36.8197 173.6081 103 H 5.1925 7.5643 112.9083 53.4080 31.8754 173.9874 104 I 4.1865 8.0683 122.2243 61.8004 37.3739 177.3967 105 D 4.6787 8.6882 126.1044 53.1411 39.3165 176.5025 106 T 3.9489 8.1151 121.8168 66.0819 68.8335 175.3585 107 E 3.9720 8.2465 118.7833 59.4354 29.3736 178.9566 108 A 4.3051 8.2125 122.0977 54.4455 18.7949 179.3316 109 I 3.9344 7.8578 118.2960 64.7107 37.0857 178.5485 110 E 4.0838 8.5831 119.5172 59.5205 29.2176 179.4293 111 Q 4.0446 8.0384 117.7204 58.3336 28.2394 177.9953 112 L 4.4972 7.8780 118.6555 55.3255 42.3025 178.5344 113 L 3.9754 7.4846 120.0829 57.5478 41.7089 177.4941 114 P 4.2341 0.0000 0.0000 65.7057 31.0775 178.5132 115 A 4.0513 7.5304 117.5108 55.3510 18.5566 179.5338 116 T 3.8342 7.8813 113.9396 64.5411 68.5662 174.4373 117 Q 3.4709 8.8836 118.5392 56.8756 26.8560 175.0753 118 G 3.9369 8.3049 103.6935 45.4613 0.0000 174.5206 119 L 4.1158 7.5216 119.3866 53.8415 42.4270 175.2151 120 P 4.3606 0.0000 0.0000 63.0915 32.6148 175.1847 121 L 5.2246 8.4083 122.9562 52.7313 45.1017 175.6421 122 V 5.1762 8.8176 122.2773 59.9911 34.8236 174.0456 123 F 5.1519 9.3288 126.8421 56.7740 40.3572 174.8498 124 H 4.4146 8.2440 123.0888 57.2812 29.7529 176.5807 *126 A 3.7776 7.5894 123.1067 50.6831 20.9507 178.4657 127 F 4.1285 8.7039 118.7728 61.4395 39.5307 177.0129 128 D 4.5419 8.2019 118.8600 56.7408 40.8244 177.6001 129 V 3.7720 7.5763 118.1380 64.9586 31.7915 176.5487 130 I 4.1678 7.3661 120.3144 59.6278 37.4238 174.0963 131 P 4.2242 0.0000 0.0000 62.8201 31.3757 177.2677 132 K 3.7916 8.8126 122.3060 59.4356 32.1886 178.1420 133 S 4.2136 7.9715 112.2958 60.7100 63.6501 175.0588 134 D 4.6468 8.2568 119.6064 53.9343 40.4981 177.9738 135 Q 3.6256 7.6771 122.0150 59.3073 29.0378 178.3379 136 K 3.6407 7.7578 118.8581 59.2403 31.8606 179.3916 137 K 4.0255 7.8044 118.2743 59.5374 31.9683 179.2401 138 S 4.0241 7.9038 115.1526 61.6361 62.5825 176.9411 139 I 3.7048 7.6066 122.2227 64.5819 36.8868 178.0816 140 D 4.4194 8.0122 119.6550 57.6628 40.6565 179.0705 141 Q 4.0042 8.3087 118.6584 58.9488 28.6882 178.7996 142 L 3.9105 8.1510 120.4697 57.5571 41.5495 179.7449 143 V 3.6319 8.2056 118.5109 65.9908 31.2809 178.0414 144 A 4.1044 8.0575 119.5205 54.8293 18.3121 178.7764 145 L 4.3919 7.9574 115.1156 54.9243 41.9113 177.5399 146 G 3.8969 7.9761 107.1550 46.2417 0.0000 174.0379 147 F 4.1932 8.3534 117.7493 57.3861 39.9111 175.9498 148 T 4.4393 9.2034 121.5791 65.9989 69.8264 174.8126 149 R 5.1068 7.8074 115.3180 55.2100 33.3616 173.8053 150 I 4.9774 8.5517 120.2133 59.4268 40.1707 174.9264 151 L 4.6840 8.9440 130.2661 53.4892 43.0160 175.4266 152 L 5.0027 8.3009 125.1442 54.9443 43.7967 176.0670 153 H 4.8525 9.5555 118.8766 55.3273 30.8304 176.1091 154 G 4.1243 10.7982 107.1961 44.9863 0.0000 172.8567 155 S 4.6366 7.4161 111.6207 57.7362 65.1676 174.6989 156 S 4.6626 8.6197 114.2322 58.3180 63.7173 173.9854 157 N 4.5536 8.1848 119.2092 53.5100 38.8787 175.2688 158 G 3.8875 8.2433 104.3880 46.4584 0.0000 173.5932 159 E 4.2305 7.3701 118.3033 54.8943 30.1998 175.1999 160 P 4.3745 0.0000 0.0000 62.6985 31.9566 177.6829 161 I 3.5214 8.6756 122.9089 64.2031 37.5704 177.5964 162 I 3.8992 7.8708 118.1709 63.5834 37.7987 176.4248 163 E 4.4841 8.0614 117.1283 56.5732 29.7285 176.7178 164 N 4.9028 8.1777 116.8995 52.8864 38.9972 176.1615 165 I 3.6894 7.7499 123.4512 64.6817 37.1886 177.8813 166 K 3.8966 8.0773 118.2500 59.8864 31.9501 178.6969 167 H 4.1885 8.1733 117.6653 59.4641 29.9184 177.1579 168 I 3.6744 8.0982 121.9676 64.2352 36.8127 178.3925 169 K 4.1109 8.3697 120.4943 59.3497 32.0130 178.7929 170 A 4.2737 7.9288 122.5310 54.5842 18.1923 179.6631 171 L 3.9884 7.9050 117.6646 57.7960 41.7481 179.8520 172 V 3.5852 7.8345 118.2817 66.0550 31.0774 177.9874 173 E 3.9886 8.4202 118.5144 59.6295 29.0818 178.7790 174 Y 4.0236 8.1009 118.4150 60.4743 39.0564 177.3415 175 A 4.0176 8.7065 122.3309 52.9883 19.0702 176.8371 176 N 3.9203 8.5983 114.1734 55.1607 37.7713 173.7924 177 N 4.2336 8.0546 109.5918 54.2475 36.9188 176.1479 178 R 4.1461 8.0516 118.2907 58.3152 30.5417 176.4721 179 I 4.4726 7.0756 115.4514 59.6931 40.9413 173.8493 180 E 4.2576 8.9073 128.6441 56.5369 30.7225 176.3068 181 I 4.6243 8.0469 123.5603 59.5560 40.6924 174.9513 *183 V 4.1535 8.0961 114.6563 61.8829 33.0756 175.3807 184 G 4.2688 8.8717 110.1077 45.9599 0.0000 169.1172 185 G 3.9173 9.1268 112.7284 46.1939 0.0000 173.4322 186 G 3.8289 8.6945 112.0203 45.3200 0.0000 171.3150 187 V 4.0980 7.7031 119.5609 61.5777 31.8897 174.8762 188 T 4.8881 8.1789 116.9686 59.4503 71.5161 174.1197 189 A 4.5983 8.2710 123.0720 53.9245 18.2873 178.0658 190 E 4.5065 8.1230 114.6909 56.5021 30.6416 176.5349 191 N 5.0466 8.0340 113.7124 52.0292 39.3950 175.7251 192 Y 4.2379 8.2395 118.8109 60.4893 37.7379 178.6668 193 Q 3.5392 6.9672 119.0731 58.5829 28.9318 177.7542 194 Y 3.9279 7.8098 119.9415 60.8072 38.4357 177.8079 195 I 3.6687 8.1647 121.0386 64.7153 37.1433 178.2628 196 C 4.1886 8.0578 117.5651 62.8448 27.7795 176.2233 197 Q 3.9516 7.7606 118.0479 58.9383 28.3015 177.6463 198 E 4.0946 7.7025 118.6204 57.4044 29.7834 177.5611 199 T 4.4953 7.6843 107.3136 60.7189 70.5759 175.1808 200 G 3.8998 8.3482 109.4467 44.9229 0.0000 173.6253 201 V 3.8071 7.2032 119.4785 62.7825 32.1330 175.7272 202 K 4.6934 8.6336 123.6097 56.2104 33.8710 175.2160 203 Q 5.1675 8.0762 118.3572 54.0958 32.6426 174.2464 204 A 4.9977 9.1319 124.8189 50.3466 22.1202 174.2200 205 H 5.2782 9.4077 121.6835 53.9697 33.1490 173.1844 206 G 4.1723 7.7281 111.7498 46.4535 0.0000 174.2153 207 T 4.0542 8.7330 111.4126 63.2062 69.6269 175.2699 208 R 4.7894 7.6107 121.5665 55.5888 30.9302 177.3340 209 I 3.7338 8.1067 119.2789 62.9921 38.6626 175.3333 210 T 4.1810 7.7597 114.3062 61.6224 68.7062 173.6474 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 I 8.02 4.36 2.16 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 1.31 1.18 1.14 0.00 0.00 3 L 8.97 4.17 0.00 1.75 1.56 0.93 0.62 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 4 R 8.77 4.91 0.00 1.87 1.68 0.00 2.72 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.32 0.00 5 E 9.39 4.92 0.00 2.00 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 2.22 2.38 0.00 6 F 9.10 5.11 0.00 3.04 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 C 7.75 4.48 0.00 2.59 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 8 A 8.27 4.49 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 9 E 8.42 4.61 0.00 1.91 1.83 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 2.16 2.33 0.00 10 N 8.67 4.25 0.00 2.92 2.86 0.00 0.00 6.87 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 11 L 8.05 4.72 0.00 1.67 1.78 0.75 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.17 3.78 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 1.21 0.00 0.00 13 D 7.98 4.84 0.00 2.89 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 14 L 7.76 4.30 0.00 1.74 1.93 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.93 4.62 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 1.19 0.00 0.00 16 R 7.69 4.38 0.00 1.71 1.86 0.00 3.27 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 17 L 7.62 4.09 0.00 1.83 1.55 0.56 1.04 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 18 D 8.25 4.74 0.00 2.65 2.41 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 19 K 8.98 4.78 0.00 1.96 2.16 0.00 1.70 0.00 0.00 1.98 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.39 7.81 20 A 7.73 4.11 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 21 I 7.23 4.31 1.84 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 1.34 0.79 0.91 0.00 0.00 22 I 8.14 4.37 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 1.04 0.00 0.00 23 S 8.42 4.61 0.00 3.85 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 24 R 7.78 5.26 0.00 1.88 1.77 0.00 3.14 0.00 0.00 3.41 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 25 V 8.63 4.92 2.27 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 0.95 0.00 0.00 1.03 0.00 0.00 26 E 9.22 4.80 0.00 2.29 1.87 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 2.24 2.26 0.00 27 L 8.82 4.82 0.00 1.65 1.55 0.90 0.88 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 28 C 8.24 4.73 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.61 4.91 0.00 2.76 2.52 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 30 N 8.45 4.10 0.00 2.86 2.73 0.00 0.00 6.92 6.66 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 31 L 8.58 4.17 0.00 1.82 1.68 0.84 0.85 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 32 A 8.07 4.01 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 33 V 7.46 4.15 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 0.81 0.00 0.00 0.91 0.00 0.00 34 G 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2.72 0.00 111 Q 8.04 4.04 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 112 L 7.88 4.50 0.00 1.85 1.70 0.94 0.65 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 0.00 113 L 7.48 3.98 0.00 1.78 1.73 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.23 0.00 2.15 2.11 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 115 A 7.53 4.05 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 0.00 116 T 7.88 3.83 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 1.17 0.00 0.00 117 Q 8.88 3.47 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 118 G 8.30 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 L 7.52 4.12 0.00 1.62 1.58 0.96 0.77 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 0.00 120 P 0.00 4.36 0.00 2.05 1.96 0.00 3.68 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 2.18 2.10 0.00 121 L 8.41 5.22 0.00 0.74 0.52 0.39 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.82 5.18 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 0.82 0.00 0.00 0.99 0.00 0.00 123 F 9.33 5.15 0.00 2.69 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 0.00 124 H 8.24 4.41 0.00 3.30 3.36 0.00 5.73 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 *126 A 7.59 3.78 0.02 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 0.00 0.00 0.00 0.00 0.00 127 F 8.70 4.13 0.00 3.37 3.15 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 0.00 128 D 8.20 4.54 0.00 2.81 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 0.00 129 V 7.58 3.77 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 0.80 0.00 0.00 1.12 0.00 0.00 130 I 7.37 4.17 1.45 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.55 0.67 0.00 0.00 131 P 0.00 4.22 0.00 2.17 2.15 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 132 K 8.81 3.79 0.00 1.69 1.85 0.00 1.57 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.29 7.81 133 S 7.97 4.21 0.00 3.94 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 0.00 134 D 8.26 4.65 0.00 2.70 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 0.00 135 Q 7.68 3.63 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.46 6.90 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 136 K 7.76 3.64 0.00 1.34 0.74 0.00 1.40 0.00 0.00 1.10 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.63 1.17 7.81 137 K 7.80 4.03 0.00 1.85 1.81 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.48 7.81 138 S 7.90 4.02 0.00 4.01 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 0.00 139 I 7.61 3.70 2.29 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 1.46 1.10 1.01 0.00 0.00 140 D 8.01 4.42 0.00 2.93 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 Q 8.31 4.00 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 142 L 8.15 3.91 0.00 1.70 1.53 0.42 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.21 3.63 2.27 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 1.02 0.00 0.00 0.97 0.00 0.00 144 A 8.06 4.10 1.38 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 0.00 145 L 7.96 4.39 0.00 2.13 2.06 1.05 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.98 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 0.00 0.00 0.00 147 F 8.35 4.19 0.00 3.28 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 0.00 148 T 9.20 4.44 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 1.22 0.00 0.00 149 R 7.81 5.11 0.00 1.97 2.01 0.00 2.92 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 150 I 8.55 4.98 1.56 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.54 0.29 0.00 0.00 151 L 8.94 4.68 0.00 1.57 1.57 0.87 0.57 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 0.00 152 L 8.30 5.00 0.00 2.09 1.74 0.94 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 153 H 9.56 4.85 0.00 3.10 3.69 0.00 5.76 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 0.00 154 G 10.80 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 0.00 155 S 7.42 4.64 0.00 4.05 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 0.00 156 S 8.62 4.66 0.00 4.00 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 0.00 157 N 8.18 4.55 0.00 2.64 3.32 0.00 0.00 7.24 7.84 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 0.00 158 G 8.24 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 0.00 159 E 7.37 4.23 0.00 2.10 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 2.37 2.36 0.00 160 P 0.00 4.37 0.00 2.21 2.02 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 161 I 8.68 3.52 2.10 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.98 0.00 0.00 162 I 7.87 3.90 1.93 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 1.68 0.89 0.95 0.00 0.00 163 E 8.06 4.48 0.00 1.99 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 2.33 2.48 0.00 164 N 8.18 4.90 0.00 2.77 2.82 0.00 0.00 6.95 6.84 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 0.00 165 I 7.75 3.69 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.78 0.88 0.00 0.00 166 K 8.08 3.90 0.00 1.86 1.89 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.58 7.81 167 H 8.17 4.19 0.00 3.20 3.44 0.00 5.69 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 0.00 168 I 8.10 3.67 1.87 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 1.42 0.62 0.90 0.00 0.00 169 K 8.37 4.11 0.00 1.88 1.92 0.00 1.62 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.59 7.81 170 A 7.93 4.27 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 0.00 0.00 0.00 0.00 0.00 0.00 171 L 7.91 3.99 0.00 1.85 1.70 0.94 0.83 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 0.00 172 V 7.83 3.59 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 1.02 0.00 0.00 0.98 0.00 0.00 173 E 8.42 3.99 0.00 2.24 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 2.33 2.56 0.00 174 Y 8.10 4.02 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.71 4.02 1.44 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 0.00 0.00 176 N 8.60 3.92 0.00 2.81 2.69 0.00 0.00 7.24 7.83 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 0.00 177 N 8.05 4.23 0.00 2.88 2.87 0.00 0.00 7.25 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 0.00 178 R 8.05 4.15 0.00 1.86 1.97 0.00 3.15 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 179 I 7.08 4.47 1.89 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 1.34 0.63 0.88 0.00 0.00 180 E 8.91 4.26 0.00 2.09 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 2.33 2.44 0.00 181 I 8.05 4.62 1.84 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.80 0.85 0.00 0.00 *183 V 8.10 4.15 2.14 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 0.71 0.00 0.00 1.07 0.00 0.00 184 G 8.87 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 0.00 185 G 9.13 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 0.00 0.00 0.00 186 G 8.69 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 0.00 187 V 7.70 4.10 2.39 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 0.99 0.00 0.00 1.07 0.00 0.00 188 T 8.18 4.89 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 1.27 0.00 0.00 189 A 8.27 4.60 1.45 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 0.00 0.00 190 E 8.12 4.51 0.00 2.05 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 0.00 2.30 2.27 0.00 191 N 8.03 5.05 0.00 2.94 3.05 0.00 0.00 6.02 7.57 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 0.00 192 Y 8.24 4.24 0.00 3.33 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 Q 6.97 3.54 0.00 1.74 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.95 0.00 0.00 0.00 0.00 0.00 2.03 1.16 0.00 194 Y 7.81 3.93 0.00 3.02 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 0.00 195 I 8.16 3.67 2.06 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 0.95 0.00 0.00 196 C 8.06 4.19 0.00 3.19 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 0.00 197 Q 7.76 3.95 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.93 0.00 0.00 0.00 0.00 0.00 2.28 2.12 0.00 198 E 7.70 4.09 0.00 1.68 1.83 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 1.57 1.47 0.00 199 T 7.68 4.50 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 1.25 0.00 0.00 200 G 8.35 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 0.00 0.00 0.00 201 V 7.20 3.81 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 0.93 0.00 0.00 202 K 8.63 4.69 0.00 1.78 1.78 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.50 7.81 203 Q 8.08 5.17 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 204 A 9.13 5.00 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 0.00 205 H 9.41 5.28 0.00 3.20 3.30 0.00 5.87 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 0.00 206 G 7.73 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 0.00 0.00 0.00 0.00 207 T 8.73 4.05 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 1.16 0.00 0.00 208 R 7.61 4.79 0.00 1.90 1.96 0.00 3.17 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 209 I 8.11 3.73 2.01 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.28 0.96 0.00 0.00 210 T 7.76 4.18 4.18 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 1.13 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.