NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 54 G 3.9273 8.3549 109.7374 44.9042 0.0000 174.5838 55 L 4.3633 7.5660 118.1214 52.7933 42.4866 175.4791 56 G 3.8509 7.7707 108.4746 44.3989 0.0000 171.5212 57 P 4.3833 0.0000 0.0000 62.4693 31.7335 176.3837 58 L 4.2106 8.1611 119.8135 55.0589 42.3830 177.8818 59 Q 4.4455 8.3198 121.5046 54.8201 28.0377 173.3382 60 I 4.8817 7.9532 122.3957 59.0395 40.9846 174.5254 61 W 5.4445 8.9689 126.0126 55.3139 32.4451 174.7670 62 Q 5.2439 8.9957 119.9000 54.6574 31.4384 175.1023 63 T 5.1869 8.6158 119.1656 62.2341 72.5423 172.6007 64 D 4.9591 9.0201 122.9486 53.5785 45.4874 173.5202 65 F 5.3483 8.9718 120.0579 56.0819 41.5840 175.2602 66 T 4.8991 9.4005 116.4814 60.4634 71.1213 172.0618 67 L 4.1612 8.2858 129.8210 53.8299 43.4923 175.7682 68 E 4.4185 8.9964 126.9122 53.5329 30.9628 173.9267 69 P 4.1862 0.0000 0.0000 64.8059 31.9163 179.1320 70 R 3.9775 8.6236 117.5631 58.6741 30.0311 177.7556 71 M 4.4698 7.8947 115.9519 54.6843 32.1290 176.1425 72 A 4.2066 7.4916 122.6228 51.5355 18.9033 176.9563 73 P 4.3935 0.0000 0.0000 64.5796 32.2877 177.6034 74 R 4.5209 7.6311 120.5465 55.1415 28.5980 175.9533 75 S 4.5199 7.6964 112.4953 58.5796 65.3152 174.9330 76 W 4.8997 8.2831 122.7909 56.0913 30.2120 175.0983 77 L 5.1457 9.3977 126.0192 53.1284 43.6866 175.4313 78 A 4.1386 8.7063 125.9639 50.2358 20.7789 175.9753 79 V 4.7438 8.4986 122.6824 61.2570 34.9499 174.3305 80 T 5.0146 8.8528 124.0098 61.6921 71.9071 172.9025 81 V 4.5527 8.5745 126.1354 61.0463 34.3003 173.8799 82 D 5.0364 8.9700 129.0644 53.3620 41.3049 177.2072 83 T 4.2157 8.7543 117.5986 64.1901 69.1697 175.8091 84 A 4.1803 8.5900 125.5782 54.2627 18.4859 178.1998 85 S 4.5436 8.0999 107.0453 57.5109 64.3691 175.0654 86 S 3.9046 8.7724 115.9920 58.7245 61.0776 170.6155 87 A 4.3504 7.5962 123.1100 52.1106 19.2965 177.0135 88 I 4.9051 8.6641 121.2255 59.3831 40.3036 175.3879 89 V 4.4012 8.6266 125.6756 61.0346 34.3234 174.4159 90 V 5.0545 8.3987 126.4718 61.4011 34.7314 174.2617 91 T 4.8253 8.6384 115.2309 60.1993 72.6404 172.3690 92 Q 5.2053 8.4955 120.6025 54.8274 31.4797 174.8078 93 H 4.9057 9.2880 118.5308 54.4027 33.1573 175.0124 94 G 3.7759 8.9593 109.9898 47.9188 0.0000 174.2078 95 R 4.5590 7.5161 116.0637 54.4959 34.0785 175.4058 96 V 2.9701 7.3689 114.5193 60.1488 30.6110 175.9280 97 T 4.4334 7.1510 114.6394 58.7713 73.3122 174.6600 98 S 3.8960 8.1949 116.3643 61.7020 62.6994 177.1527 99 V 3.3917 7.5612 120.1821 65.6598 31.2111 177.7505 100 A 3.8297 7.8591 120.4634 54.9557 18.0892 179.4534 101 A 3.5202 7.3961 119.1615 55.2574 18.3160 179.9568 102 Q 2.9017 7.5730 116.5137 58.8995 28.7149 178.6168 103 H 4.3140 8.1367 117.4552 58.9627 28.6352 177.2332 104 H 4.0752 8.2141 120.0721 59.3182 29.6556 177.5063 105 W 4.4486 8.1606 120.4874 59.3913 28.8276 178.4295 106 A 4.2449 8.6198 121.5957 55.6019 17.9395 179.7610 107 T 3.8168 7.9410 113.6058 66.8067 68.5541 176.7344 108 A 3.8664 8.2855 122.9626 55.2054 18.2452 179.7537 109 I 4.2550 8.6963 119.8700 64.0540 36.8985 178.5095 110 A 4.0361 7.8725 120.7543 54.9938 18.2496 179.4165 111 V 3.8174 7.6598 115.6291 65.0817 31.9332 177.3609 112 L 4.6360 8.6937 116.1190 53.5222 42.7673 176.7784 113 G 3.9638 8.3681 105.4226 44.5935 0.0000 172.1361 114 R 4.0605 8.0564 119.0275 54.4045 30.5742 174.4013 115 P 4.3114 0.0000 0.0000 61.8496 32.7453 175.8772 116 K 4.2044 8.5640 117.2163 58.4820 33.2773 177.1786 117 A 4.9699 7.4026 119.1045 50.4728 23.2553 175.1019 118 I 4.8637 8.5316 119.6867 59.3522 41.1229 174.4703 119 K 5.1929 9.1860 128.8773 55.1750 34.3401 175.2175 120 T 4.9179 8.6444 116.4570 60.2039 73.0854 172.4761 121 D 5.0207 8.4010 120.8088 52.7037 41.4933 175.9202 122 N 4.8977 8.7231 116.9584 53.4492 38.5202 175.6225 123 G 3.9194 8.8923 108.9119 46.1112 0.0000 175.7311 124 S 4.3409 8.2290 117.8167 57.8240 61.8712 175.7626 *126 F 5.0545 7.8763 119.0186 58.2597 40.9505 176.5258 127 T 4.6480 7.5275 108.3325 61.0413 69.1068 174.5943 128 S 4.4025 7.7597 118.1048 57.9329 63.9732 175.2046 129 K 3.9496 8.6886 121.5522 59.6451 31.8430 178.6881 130 S 4.1644 8.0728 112.8665 61.9372 62.4445 176.2292 131 T 4.1467 7.9624 118.1178 66.6789 68.1873 177.0139 132 R 4.0900 8.5291 120.4806 59.3831 30.1052 178.7722 133 E 4.0415 8.7777 119.5256 58.8124 29.4884 178.5286 134 W 4.1885 8.6252 128.6223 60.6659 30.8398 177.9973 135 L 4.1831 8.6146 118.6977 57.8109 41.1600 179.4019 136 A 4.0399 8.1520 120.9048 54.9890 18.0556 179.6078 137 R 3.7201 7.9401 116.6694 59.1142 30.2118 178.1435 138 W 4.0992 7.6721 116.4918 56.3100 29.3648 176.5878 139 G 3.8010 7.7634 106.5571 46.5569 0.0000 173.1395 140 I 4.4234 7.5598 119.6047 58.8899 39.1232 175.9095 141 A 4.3243 8.4346 128.6903 51.9116 19.9088 175.6767 142 H 5.2867 8.6347 119.7292 54.6498 32.9185 172.5437 143 T 4.7116 8.8793 119.1932 60.4643 70.9939 173.9758 144 T 5.0349 7.9970 114.7946 60.0198 69.8239 176.4035 145 G 3.8117 8.3624 111.2446 45.5357 0.0000 173.1280 146 I 3.8623 8.2308 121.0490 60.4589 37.6562 174.0727 147 P 4.8390 0.0000 0.0000 61.0861 28.2512 175.9048 148 G 4.2638 8.4320 119.6433 46.7173 0.0000 173.2281 149 N 3.8941 8.7151 120.8049 54.2449 39.2620 177.3533 150 S 3.5464 7.8715 112.4746 59.5806 63.5860 170.5261 151 Q 4.3301 8.9020 117.4461 54.5959 31.6693 173.1906 152 G 4.1727 9.0034 105.9173 46.8549 0.0000 174.1814 153 Q 4.7859 7.8157 118.4250 54.4989 28.9919 176.8959 154 A 4.0748 8.2282 122.2541 56.3770 18.5929 179.3573 155 M 4.0379 8.0496 117.3900 58.6447 32.1701 179.1655 156 V 3.7119 8.2573 119.2064 64.6551 31.5613 178.2502 157 E 3.9916 8.3022 119.4835 59.2630 29.2034 179.2648 158 R 3.9045 8.2182 118.6058 59.2770 30.0822 178.3863 159 A 3.9867 8.1539 120.6623 55.1246 18.3449 179.2780 160 N 4.2559 8.2938 115.0531 56.5716 38.6424 177.6490 161 R 3.9190 7.8507 119.5862 59.4092 30.2340 178.5522 162 L 4.0328 8.1777 119.0272 57.4257 41.4817 179.2527 163 L 3.9399 8.2425 120.7282 58.2672 42.1398 179.2993 164 K 3.9594 8.1520 118.3816 59.3417 31.8262 178.9394 165 D 4.3172 8.1569 118.5741 57.1537 41.1156 178.2181 166 K 3.9676 8.1829 120.2064 59.4790 32.1149 178.8692 167 I 3.7052 8.0143 120.3401 64.2732 36.9375 178.3741 168 R 3.8889 8.0436 119.4440 59.6280 29.9947 179.0118 169 V 3.6305 8.1356 112.5658 64.3996 31.5756 178.6514 170 L 4.0201 8.2495 118.6792 57.5253 41.4077 179.3721 171 A 4.1597 8.4064 121.0805 55.5027 18.4296 179.6204 172 E 4.1082 8.5826 117.3980 59.4606 29.2363 179.8790 173 G 3.6271 8.0519 105.1267 47.3272 0.0000 174.4511 174 D 4.5713 7.5002 118.0073 53.6550 41.0025 177.2920 175 G 3.5659 7.7555 107.7171 45.3407 0.0000 173.7867 176 F 4.8583 7.5745 118.7194 56.3038 38.6965 175.6236 177 M 4.5162 8.6064 125.3382 55.7235 33.7674 177.1643 178 K 4.5936 7.3074 115.5601 56.2835 32.5953 178.9344 179 R 4.2376 8.6602 128.1380 57.1292 30.4695 174.4364 180 I 3.6619 8.3385 127.5039 60.0174 38.0273 174.2438 181 P 4.0136 0.0000 0.0000 63.4513 31.4516 177.2195 182 T 3.7816 8.8655 120.9511 67.0586 68.2110 176.5326 183 S 4.2336 7.9388 113.4169 60.1537 63.6859 175.3005 184 K 4.3569 7.8861 121.3519 56.8487 32.4730 178.3264 185 Q 4.0476 7.6738 119.0511 58.8461 28.6552 178.7535 186 G 3.6598 8.0345 106.0855 48.1283 0.0000 175.4274 187 E 4.0317 8.0993 120.7670 58.6637 29.5497 179.0563 188 L 3.9819 7.8292 120.2444 57.9805 42.1925 178.7880 189 L 3.9585 8.4683 120.6083 58.0885 41.9576 178.7771 190 A 4.0377 8.1969 120.8344 54.9491 18.1797 179.5768 191 K 3.9722 8.3651 118.1569 59.5914 32.4270 178.9956 192 A 3.9919 8.1845 121.1723 55.2962 18.1510 179.3255 193 M 3.9488 8.2049 116.7738 58.7539 32.3238 177.6994 194 Y 4.0961 8.3523 119.7765 60.8663 38.7752 178.0563 195 A 3.5391 7.9349 120.1779 54.7517 18.5165 178.9431 196 L 4.2665 7.4973 115.0424 56.1641 42.0294 177.9654 197 N 4.6186 7.2644 115.3963 52.8405 39.8885 174.7272 198 H 4.6167 7.1174 117.3395 53.7092 30.6655 174.4563 199 F 4.4547 8.3751 121.9675 57.7021 39.7168 174.6801 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 54 G 8.35 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 L 7.57 4.36 0.00 1.71 1.68 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.77 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 57 P 0.00 4.38 0.00 2.21 2.09 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 58 L 8.16 4.21 0.00 1.66 1.63 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.32 4.45 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 60 I 7.95 4.88 1.90 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 1.31 0.88 0.93 0.00 0.00 61 W 8.97 5.44 0.00 3.24 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 62 Q 9.00 5.24 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 63 T 8.62 5.19 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 64 D 9.02 4.96 0.00 2.81 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 65 F 8.97 5.35 0.00 2.85 3.18 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 66 T 9.40 4.90 4.34 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 1.25 0.00 0.00 67 L 8.29 4.16 0.00 0.44 1.08 -0.32 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.00 4.42 0.00 1.96 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 2.15 2.25 0.00 69 P 0.00 4.19 0.00 2.15 2.00 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 70 R 8.62 3.98 0.00 1.92 1.97 0.00 3.09 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.67 0.00 71 M 7.89 4.47 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 72 A 7.49 4.21 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 73 P 0.00 4.39 0.00 2.19 2.17 0.00 3.72 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 1.97 1.97 0.00 74 R 7.63 4.52 0.00 1.81 1.95 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 75 S 7.70 4.52 0.00 3.70 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 76 W 8.28 4.90 0.00 3.63 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 77 L 9.40 5.15 0.00 1.59 1.59 0.91 0.79 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 78 A 8.71 4.14 0.29 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 79 V 8.50 4.74 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 1.00 0.00 0.00 0.94 0.00 0.00 80 T 8.85 5.01 4.04 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 0.00 0.00 0.56 0.00 0.00 81 V 8.57 4.55 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 0.92 0.00 0.00 0.91 0.00 0.00 82 D 8.97 5.04 0.00 2.62 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 83 T 8.75 4.22 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 1.30 0.00 0.00 84 A 8.59 4.18 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 85 S 8.10 4.54 0.00 3.98 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 86 S 8.77 3.90 0.00 4.02 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 87 A 7.60 4.35 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 88 I 8.66 4.91 1.81 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 1.07 0.85 0.86 0.00 0.00 89 V 8.63 4.40 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 0.91 0.00 0.00 0.73 0.00 0.00 90 V 8.40 5.05 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 0.92 0.00 0.00 0.90 0.00 0.00 91 T 8.64 4.83 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 92 Q 8.50 5.21 0.00 1.89 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 93 H 9.29 4.91 0.00 3.24 3.21 0.00 5.61 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 94 G 8.96 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 0.00 0.00 0.00 95 R 7.52 4.56 0.00 1.64 1.62 0.00 3.40 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 96 V 7.37 2.97 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 0.00 0.00 -1.75 0.00 0.00 -0.05 0.00 0.00 97 T 7.15 4.43 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 1.03 0.00 0.00 98 S 8.19 3.90 0.00 3.79 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 99 V 7.56 3.39 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 0.87 0.00 0.00 0.86 0.00 0.00 100 A 7.86 3.83 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 7.40 3.52 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.57 2.90 0.00 1.81 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.52 2.14 0.00 103 H 8.14 4.31 0.00 3.32 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.21 4.08 0.00 3.03 3.08 0.00 5.78 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 0.00 105 W 8.16 4.45 0.00 3.24 3.20 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 0.00 106 A 8.62 4.24 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 T 7.94 3.82 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 108 A 8.29 3.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 I 8.70 4.26 1.86 0.00 0.00 -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 1.18 1.68 0.58 0.00 0.00 110 A 7.87 4.04 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 0.00 111 V 7.66 3.82 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 0.85 0.00 0.00 0.95 0.00 0.00 112 L 8.69 4.64 0.00 1.92 1.87 0.25 0.96 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 0.00 113 G 8.37 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 8.06 4.06 0.00 1.78 1.83 0.00 3.57 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 115 P 0.00 4.31 0.00 1.45 0.49 0.00 3.08 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.44 0.00 116 K 8.56 4.20 0.00 1.58 1.79 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.48 7.81 117 A 7.40 4.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.53 4.86 1.52 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.47 0.98 0.00 0.00 119 K 9.19 5.19 0.00 1.82 1.77 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.37 7.81 120 T 8.64 4.92 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 0.87 0.00 0.00 121 D 8.40 5.02 0.00 2.88 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 0.00 122 N 8.72 4.90 0.00 2.77 2.92 0.00 0.00 6.72 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 0.00 123 G 8.89 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 0.00 124 S 8.23 4.34 0.00 3.96 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 *126 F 7.88 5.05 0.00 3.40 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.53 4.65 4.34 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 1.38 0.00 0.00 128 S 7.76 4.40 0.00 3.99 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 0.00 129 K 8.69 3.95 0.00 1.84 1.88 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.55 1.48 7.81 130 S 8.07 4.16 0.00 3.97 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 0.00 131 T 7.96 4.15 4.42 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 1.69 0.00 0.00 132 R 8.53 4.09 0.00 2.10 2.07 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.04 0.00 133 E 8.78 4.04 0.00 2.13 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 0.00 2.37 2.45 0.00 134 W 8.63 4.19 0.00 3.75 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 0.00 135 L 8.61 4.18 0.00 2.00 1.89 0.78 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.15 4.04 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 0.00 137 R 7.94 3.72 0.00 1.78 1.89 0.00 2.76 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.43 0.00 138 W 7.67 4.10 0.00 3.05 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 0.00 139 G 7.76 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 0.00 0.00 0.00 140 I 7.56 4.42 1.70 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.55 0.00 0.00 141 A 8.43 4.32 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 0.00 142 H 8.63 5.29 0.00 3.03 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.88 4.71 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 1.24 0.00 0.00 144 T 8.00 5.03 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 1.20 0.00 0.00 145 G 8.36 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 0.00 146 I 8.23 3.86 2.12 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 1.47 0.43 0.92 0.00 0.00 147 P 0.00 4.84 0.00 2.18 2.11 0.00 3.74 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 1.99 1.98 0.00 148 G 8.43 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 0.00 149 N 8.72 3.89 0.00 2.93 3.09 0.00 0.00 6.91 7.42 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 0.00 150 S 7.87 3.55 0.00 3.95 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 0.00 151 Q 8.90 4.33 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.93 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 152 G 9.00 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 0.00 153 Q 7.82 4.79 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 154 A 8.23 4.07 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 0.00 155 M 8.05 4.04 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 156 V 8.26 3.71 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 0.96 0.00 0.00 0.97 0.00 0.00 157 E 8.30 3.99 0.00 2.30 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 2.36 2.35 0.00 158 R 8.22 3.90 0.00 1.90 2.04 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 159 A 8.15 3.99 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 0.00 160 N 8.29 4.26 0.00 2.96 2.90 0.00 0.00 6.64 7.27 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 0.00 161 R 7.85 3.92 0.00 1.87 2.11 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 162 L 8.18 4.03 0.00 1.73 1.71 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 163 L 8.24 3.94 0.00 1.83 1.86 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 164 K 8.15 3.96 0.00 1.84 1.83 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.44 7.81 165 D 8.16 4.32 0.00 2.89 2.80 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 K 8.18 3.97 0.00 2.04 1.93 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.54 7.81 167 I 8.01 3.71 2.01 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 0.68 0.92 0.00 0.00 168 R 8.04 3.89 0.00 1.90 2.10 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 169 V 8.14 3.63 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 0.86 0.00 0.00 0.99 0.00 0.00 170 L 8.25 4.02 0.00 1.73 1.76 0.96 0.91 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 0.00 171 A 8.41 4.16 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 0.00 172 E 8.58 4.11 0.00 2.10 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 2.34 2.48 0.00 173 G 8.05 3.63 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 0.00 174 D 7.50 4.57 0.00 2.47 2.13 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 G 7.76 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 0.00 176 F 7.57 4.86 0.00 3.08 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 0.00 177 M 8.61 4.52 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 178 K 7.31 4.59 0.00 1.71 0.88 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.34 7.81 179 R 8.66 4.24 0.00 1.79 1.77 0.00 3.41 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.83 0.00 180 I 8.34 3.66 1.82 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 1.24 0.62 0.59 0.00 0.00 181 P 0.00 4.01 0.00 1.76 1.83 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 1.55 1.86 0.00 182 T 8.87 3.78 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 1.18 0.00 0.00 183 S 7.94 4.23 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 K 7.89 4.36 0.00 1.67 1.85 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.26 1.52 7.81 185 Q 7.67 4.05 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 186 G 8.03 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 E 8.10 4.03 0.00 2.03 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 2.39 2.36 0.00 188 L 7.83 3.98 0.00 1.90 1.78 1.08 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.47 3.96 0.00 1.83 1.78 0.92 0.96 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 0.00 190 A 8.20 4.04 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 0.00 191 K 8.37 3.97 0.00 2.01 1.99 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.52 7.81 192 A 8.18 3.99 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 0.00 193 M 8.20 3.95 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 194 Y 8.35 4.10 0.00 3.06 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 0.00 195 A 7.93 3.54 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 L 7.50 4.27 0.00 1.61 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 197 N 7.26 4.62 0.00 2.43 2.39 0.00 0.00 6.82 8.44 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 0.00 198 H 7.12 4.62 0.00 2.60 3.06 0.00 5.60 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 0.00 199 F 8.38 4.45 0.00 2.98 2.82 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 * Residues marked with a * may have inaccurate shift predictions.