NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4101 8.3344 116.7924 58.5031 64.5348 172.9769 3 H 4.2886 8.3630 122.8801 54.5353 30.4968 173.9465 4 P 4.3018 0.0000 0.0000 65.5979 32.0767 177.7513 5 D 4.5655 8.4349 116.3903 55.8249 40.7502 177.7610 6 L 3.9970 8.1211 121.8513 58.1441 41.9155 178.5372 7 N 4.3520 7.9453 116.4445 56.0934 38.3956 177.5284 8 K 4.0386 7.9931 120.0180 59.2298 32.1959 179.0826 9 L 4.0734 7.9443 120.1867 58.2989 41.8108 178.8450 10 L 4.0949 7.9702 117.9556 57.8995 41.5800 179.1174 11 E 4.1769 7.8093 117.4808 59.3726 29.8363 179.0065 12 L 4.2570 8.2164 118.8160 56.6088 41.6644 178.8501 13 W 4.1177 8.3806 129.3772 60.2431 30.6610 175.9729 14 P 4.1990 0.0000 0.0000 66.5215 30.4638 177.9198 15 H 4.3128 8.0274 115.5226 58.5663 28.5958 177.8226 16 I 3.5516 7.2847 121.2816 64.2851 36.9348 178.0753 17 Q 3.8046 7.7583 120.4724 58.9519 28.8001 178.1331 18 E 3.9311 7.8737 119.2971 59.5489 29.5311 178.6325 19 Y 3.9288 7.8662 119.2622 60.7500 38.7985 177.9566 20 Q 3.8359 8.1072 120.4761 59.0698 29.1855 177.9491 21 D 4.2712 8.0268 120.1413 57.1227 40.4784 178.4314 22 L 3.8706 7.9275 120.6589 57.9837 42.0326 178.9017 23 A 3.8499 7.6737 120.7442 54.9738 18.4157 179.2519 24 L 4.0350 7.8906 120.2639 57.6638 41.8892 179.2008 25 K 3.9951 7.7713 118.0152 58.8592 32.0545 177.3573 26 H 4.8039 7.4932 113.7826 55.2936 29.5218 175.8318 27 G 3.8169 7.8002 107.2854 45.6542 0.0000 173.8927 28 I 4.3065 7.6378 121.4719 59.3204 38.1063 176.5310 29 N 4.3353 8.7294 124.0063 55.4988 38.9924 175.1316 30 D 4.5175 7.6851 117.6634 52.3449 43.6434 175.5678 31 I 3.7129 8.3634 121.1845 63.0871 37.8983 177.3025 32 F 5.0170 7.9156 118.8445 57.4413 39.0042 175.1546 33 Q 4.6309 7.4886 119.1133 54.8221 32.4635 174.2624 34 D 4.4963 9.6259 116.1211 55.5797 38.7172 173.8951 35 N 4.2293 8.3729 111.2014 54.3072 36.7441 176.6041 36 G 3.9328 8.5116 108.3191 48.3878 0.0000 176.4814 37 G 3.8132 8.0997 107.4437 46.8920 0.0000 175.7823 38 K 4.2318 7.8560 120.1753 58.7549 32.4844 178.4867 39 L 3.9487 8.1307 120.9492 58.1853 41.8934 178.8199 40 L 3.8465 7.7894 119.6601 58.1349 41.9837 178.7342 41 Q 3.9430 7.4916 116.5638 59.2658 29.0222 178.4187 42 V 3.5167 7.7887 119.1692 65.9776 31.4483 177.9832 43 L 3.9432 8.0271 118.7181 57.8408 41.2357 179.5591 44 L 3.9300 7.6959 117.8746 57.5004 41.5542 179.4639 45 I 3.8190 7.4356 119.4401 64.6114 37.2279 178.2890 46 T 4.0839 7.7700 109.1222 62.5954 68.8311 175.8055 47 G 3.8821 8.1767 108.7411 45.0380 0.0000 173.2539 48 L 4.5191 7.1672 119.0390 54.4440 42.7747 176.4104 49 T 4.7603 8.5464 110.2300 60.0793 72.2606 173.4138 50 V 4.4808 8.3451 116.4789 60.3337 33.1718 175.5355 51 L 4.3920 8.3077 124.5787 53.5948 41.6352 174.8998 52 P 4.1791 0.0000 0.0000 63.9170 31.8530 176.1092 53 G 3.7503 8.5335 109.4778 46.6003 0.0000 173.3417 54 R 4.2208 7.8070 114.1566 54.7227 31.4090 176.1167 55 A 4.3577 8.2646 121.5143 51.1792 18.9238 177.2987 56 G 3.7343 8.3296 111.1671 45.5354 0.0000 171.3763 57 N 4.7106 8.2245 112.8474 52.4024 36.6017 173.9545 58 D 5.4303 7.8017 119.9182 52.4323 44.7698 176.3233 59 A 4.9428 8.6818 122.4607 50.4843 23.5996 174.9219 60 V 5.6762 9.2676 111.2053 58.9876 36.5870 175.6229 61 D 5.1502 8.5912 122.8615 51.6560 42.2194 176.5215 62 N 4.4445 9.0264 114.6051 54.6753 37.0416 175.0490 63 A 4.5052 8.4826 120.8371 51.8520 19.8578 177.3541 64 G 3.9571 8.4600 104.9150 44.8766 0.0000 174.0325 65 Q 3.9635 7.9863 121.5600 55.8132 29.7614 174.1062 66 E 4.9607 8.2501 125.5439 55.3916 31.5128 174.4683 67 Y 5.0252 8.9740 121.9915 56.2423 43.0786 173.7078 68 E 4.8672 8.7191 122.7596 53.7322 31.6386 174.4129 69 L 5.0300 8.1017 127.2881 53.0185 43.4173 176.2215 70 K 4.7920 8.8025 122.7729 54.7459 36.0457 175.3814 71 S 5.6336 8.7413 116.8794 57.3332 67.2462 173.2192 72 I 4.5405 8.7900 120.9557 59.6416 42.0780 173.6132 73 N 5.2405 8.6062 126.7934 51.9490 38.9187 174.7614 74 I 3.9648 9.0254 127.9968 63.2414 38.0351 176.9696 75 D 4.5153 8.5066 120.8675 56.6463 41.1782 177.1965 76 L 4.3591 7.9500 117.5743 56.3196 42.2314 176.3129 77 T 4.7016 7.9388 111.0774 60.5435 70.7990 173.4069 78 K 4.6175 8.6235 122.0208 55.7828 34.0943 175.4487 79 G 4.4753 7.5924 107.4453 44.1804 0.0000 173.2189 80 F 4.5489 9.4902 125.5491 57.5644 39.9880 175.6801 81 S 4.4757 8.9954 119.6472 59.4546 63.2642 172.3183 82 T 4.6198 9.6439 108.6821 61.9713 71.2277 173.2996 83 H 4.7220 7.6941 117.6812 53.7229 33.7269 174.3788 84 H 4.3520 8.7165 123.7631 58.9801 29.0275 174.9223 *85 H 5.2204 8.1283 117.4701 53.4576 27.9690 177.2070 86 M 4.1703 8.8311 123.9118 55.5200 33.8690 175.2588 87 N 4.4356 8.1422 121.7209 50.2180 40.6670 173.4074 88 P 3.9809 0.0000 0.0000 65.2281 31.2076 179.1962 89 V 3.4090 7.3175 116.7920 65.9660 31.6038 177.9817 90 I 3.7142 7.9618 119.5630 64.5345 36.9630 178.4793 91 I 3.5663 7.7472 120.2913 64.1690 36.5686 178.3317 92 A 3.9130 7.6117 120.9860 54.9482 18.0007 179.5039 93 K 4.0073 7.6069 115.4296 59.7408 31.6928 179.2510 94 A 4.3776 7.8594 120.3636 55.6143 18.0494 179.6526 95 R 4.1573 7.7141 115.5479 59.8342 30.2093 178.8731 96 Q 4.2251 7.8173 115.3428 56.7489 29.0584 176.4632 97 V 4.4843 6.7857 110.9845 58.7216 34.5702 173.5819 98 P 4.9763 0.0000 0.0000 62.2794 33.2290 175.0674 99 W 5.2865 9.2964 120.9751 55.1342 32.4330 174.7668 100 I 4.9239 8.7512 124.8228 59.6532 39.3120 174.4995 101 F 5.0680 9.4761 126.1782 55.7490 41.4760 174.2472 102 A 5.2338 9.3660 127.0421 50.5306 21.1453 175.3750 103 I 4.9476 8.9285 124.0064 59.9341 39.6244 174.6026 104 Y 5.1001 9.0464 123.6930 56.3996 42.0510 174.9151 105 R 4.6410 9.3592 122.2311 54.1616 30.5712 177.8340 106 G 3.9727 9.6751 117.4213 45.4485 0.0000 172.1790 107 I 4.1960 8.8784 114.6485 60.0206 38.6717 175.1678 108 A 4.4707 7.8162 126.0303 50.8447 18.7328 176.8926 109 I 3.3610 8.3605 123.7640 61.4736 38.7408 174.4151 110 E 4.5828 8.8516 128.6466 57.6166 30.8021 175.3309 111 A 4.8460 7.5512 118.2921 51.2019 23.2623 174.7022 112 I 5.1933 8.2192 118.7385 60.0517 41.2304 174.4359 113 Y 5.2062 9.3317 123.8497 56.1425 42.0335 174.5181 114 R 5.2682 9.1926 121.3001 54.7218 33.4706 174.0582 115 L 5.2479 9.2163 125.5891 53.1271 45.2228 176.0242 116 E 4.7623 9.0425 122.3709 54.7464 31.5227 175.5847 117 P 4.2552 0.0000 0.0000 65.9381 31.0470 179.0910 118 K 4.0066 7.9738 116.1743 60.1395 32.5760 178.5739 119 D 4.4523 8.0708 119.0263 56.3164 41.0242 177.7526 120 L 4.1564 7.5423 118.1379 55.5667 42.2249 177.7985 121 E 3.7927 7.6494 119.5803 59.3207 29.1693 178.6452 122 F 3.9445 7.9954 120.0365 61.4663 39.3228 176.4898 123 Y 3.1161 7.6780 116.4014 60.3359 37.5193 177.4277 124 Y 4.1657 7.1121 117.2040 61.3234 37.9933 178.4252 125 D 4.3319 7.9486 119.6608 57.1065 41.0021 178.9474 126 K 3.8061 7.1095 117.6036 59.1178 31.9086 179.4989 127 W 4.4268 7.9995 119.1902 59.9248 29.0654 178.1518 128 E 3.9933 8.5982 119.5130 59.3613 28.9851 178.8246 129 R 4.0409 8.2926 118.6760 59.4442 30.1547 178.4246 130 K 4.0199 8.1138 119.0504 59.1552 32.1750 178.5143 131 W 3.9545 8.5708 128.9149 60.7552 30.4053 177.6512 132 Y 3.9683 7.8321 115.4367 60.9075 37.7225 178.1036 133 S 4.2510 8.6098 114.4885 61.5351 62.5059 175.7260 134 D 4.5595 8.2472 119.8297 55.5262 40.6335 177.2305 135 G 3.7745 7.4033 107.2204 45.8793 0.0000 173.0868 136 H 2.0000 7.1128 112.6039 55.6039 26.2716 174.9500 137 K 4.4416 6.9639 118.5623 54.3472 34.0221 175.1014 138 D 5.0130 8.6355 125.5313 54.6889 41.8562 175.6461 139 I 4.1527 8.5566 123.7449 60.4135 38.8421 174.8254 140 N 5.1113 8.8613 126.3419 51.8718 38.2628 173.8831 141 N 4.1423 8.1924 126.6369 53.7489 37.6833 172.1827 142 P 4.4867 0.0000 0.0000 62.8380 32.7554 177.6525 143 K 4.9547 8.6057 120.3489 55.1317 34.9859 175.7452 144 I 4.0866 8.1939 122.6119 58.6934 39.4802 173.9588 145 P 4.8008 0.0000 0.0000 62.5178 32.0695 177.9967 146 V 3.7964 8.5479 121.4283 65.7748 31.3285 178.5966 147 K 3.9202 8.0526 119.3826 59.5204 32.2422 177.9634 148 Y 3.9717 7.8785 120.0335 60.5527 38.7950 178.1403 149 V 3.2668 7.6856 118.6579 66.2341 31.4404 177.7984 150 M 3.1473 7.3769 117.0071 58.0348 31.8424 178.1889 151 E 4.0925 7.9553 116.8415 57.8394 29.8689 177.0059 152 H 4.5857 7.6664 113.2621 54.9511 30.1580 173.4158 153 G 4.2746 7.6832 106.7450 44.9502 0.0000 173.3979 154 T 4.6529 8.5347 117.3476 61.5816 70.1553 174.5017 155 K 3.7057 8.6855 128.9014 56.5791 32.0923 176.3228 156 I 4.3025 8.7233 128.1659 62.0002 39.0223 175.3795 157 Y 4.1174 7.4814 126.8763 57.8556 38.5755 173.8949 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 S 8.33 4.41 0.00 3.86 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 3 H 8.36 4.29 0.00 3.24 3.13 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.30 0.00 2.15 2.06 0.00 2.98 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 1.99 2.10 0.00 5 D 8.43 4.57 0.00 2.70 2.71 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 0.00 0.00 0.00 0.00 6 L 8.12 4.00 0.00 1.84 1.72 0.84 0.46 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 7 N 7.95 4.35 0.00 3.02 2.86 0.00 0.00 6.92 6.68 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 8 K 7.99 4.04 0.00 1.96 1.88 0.00 1.79 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 9 L 7.94 4.07 0.00 1.74 1.88 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.97 4.09 0.00 1.95 1.75 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.81 4.18 0.00 2.18 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 2.38 2.56 0.00 12 L 8.22 4.26 0.00 1.99 1.79 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.38 4.12 0.00 3.67 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 14 P 0.00 4.20 0.00 2.22 2.32 0.00 3.85 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.06 0.00 15 H 8.03 4.31 0.00 3.38 3.33 0.00 5.64 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 16 I 7.28 3.55 0.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.65 0.52 0.00 0.00 17 Q 7.76 3.80 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 18 E 7.87 3.93 0.00 2.31 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 2.32 2.55 0.00 19 Y 7.87 3.93 0.00 3.01 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 20 Q 8.11 3.84 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 21 D 8.03 4.27 0.00 2.89 2.65 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 0.00 0.00 0.00 0.00 22 L 7.93 3.87 0.00 1.76 1.52 0.88 0.86 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 23 A 7.67 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 24 L 7.89 4.04 0.00 1.93 1.73 0.94 -0.03 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 25 K 7.77 4.00 0.00 1.76 1.96 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.39 7.81 26 H 7.49 4.80 0.00 3.12 3.24 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.80 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 28 I 7.64 4.31 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.12 0.84 0.00 0.00 29 N 8.73 4.34 0.00 2.69 2.86 0.00 0.00 6.85 8.06 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 30 D 7.69 4.52 0.00 2.60 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 31 I 8.36 3.71 1.72 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 0.85 -0.36 0.75 0.00 0.00 32 F 7.92 5.02 0.00 3.25 3.02 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 33 Q 7.49 4.63 0.00 2.21 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.17 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 34 D 9.63 4.50 0.00 2.74 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 35 N 8.37 4.23 0.00 2.89 2.85 0.00 0.00 6.84 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.51 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 37 G 8.10 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 38 K 7.86 4.23 0.00 1.80 1.59 0.00 1.63 0.00 0.00 0.97 0.00 0.00 2.44 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.74 1.23 7.81 39 L 8.13 3.95 0.00 1.80 1.86 0.90 0.78 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 40 L 7.79 3.85 0.00 1.70 1.58 0.70 -0.21 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 41 Q 7.49 3.94 0.00 2.25 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 42 V 7.79 3.52 2.21 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 0.94 0.00 0.00 1.06 0.00 0.00 43 L 8.03 3.94 0.00 1.83 1.65 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.70 3.93 0.00 1.69 1.66 0.82 0.47 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 45 I 7.44 3.82 1.65 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.41 0.61 0.00 0.00 46 T 7.77 4.08 4.13 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 1.15 0.00 0.00 47 G 8.18 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 0.00 0.00 0.00 48 L 7.17 4.52 0.00 1.48 1.58 0.65 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.55 4.76 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 1.22 0.00 0.00 50 V 8.35 4.48 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 0.71 0.00 0.00 0.97 0.00 0.00 51 L 8.31 4.39 0.00 1.74 1.67 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.18 0.00 2.18 2.09 0.00 3.87 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 1.98 1.96 0.00 53 G 8.53 3.75 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 0.00 0.00 0.00 54 R 7.81 4.22 0.00 1.90 2.15 0.00 3.15 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 55 A 8.26 4.36 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 56 G 8.33 3.73 0.00 0.00 0.00 0.00 0.00 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73 N 8.61 5.24 0.00 2.80 2.70 0.00 0.00 6.70 7.95 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 74 I 9.03 3.96 1.90 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 1.26 1.38 0.95 0.00 0.00 75 D 8.51 4.52 0.00 2.92 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 76 L 7.95 4.36 0.00 1.76 1.70 0.92 0.74 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 77 T 7.94 4.70 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 1.15 0.00 0.00 78 K 8.62 4.62 0.00 1.71 1.74 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.39 7.81 79 G 7.59 4.48 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 0.00 80 F 9.49 4.55 0.00 3.31 3.29 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 81 S 9.00 4.48 0.00 3.84 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 82 T 9.64 4.62 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 1.54 0.00 0.00 83 H 7.69 4.72 0.00 3.09 3.02 0.00 5.67 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.72 4.35 0.00 3.33 3.51 0.00 5.47 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 *85 H 8.13 5.22 0.00 2.65 2.84 0.00 7.20 0.00 0.00 0.00 0.00 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.83 4.17 0.00 1.98 1.68 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 1.79 0.00 87 N 8.14 4.44 0.00 1.93 2.80 0.00 0.00 6.27 7.76 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 88 P 0.00 3.98 0.00 1.62 1.86 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.42 0.00 89 V 7.32 3.41 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 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98 P 0.00 4.98 0.00 2.41 2.16 0.00 3.44 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 1.97 2.14 0.00 99 W 9.30 5.29 0.00 3.26 2.50 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 0.00 100 I 8.75 4.92 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.89 0.00 0.00 101 F 9.48 5.07 0.00 3.01 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 0.00 102 A 9.37 5.23 1.40 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 0.00 0.00 0.00 103 I 8.93 4.95 2.04 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.15 1.01 0.00 0.00 104 Y 9.05 5.10 0.00 3.16 2.96 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 0.00 105 R 9.36 4.64 0.00 1.77 1.88 0.00 3.45 0.00 0.00 3.21 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 106 G 9.68 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 0.00 0.00 0.00 107 I 8.88 4.20 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 1.36 0.80 0.86 0.00 0.00 108 A 7.82 4.47 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 0.00 109 I 8.36 3.36 1.40 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.08 0.83 0.00 0.00 110 E 8.85 4.58 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 111 A 7.55 4.85 1.31 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 0.00 112 I 8.22 5.19 1.94 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 1.35 0.82 0.96 0.00 0.00 113 Y 9.33 5.21 0.00 3.03 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 0.00 114 R 9.19 5.27 0.00 1.93 1.83 0.00 3.12 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 115 L 9.22 5.25 0.00 1.87 1.61 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 116 E 9.04 4.76 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 117 P 0.00 4.26 0.00 2.20 2.42 0.00 3.65 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.45 0.00 118 K 7.97 4.01 0.00 1.90 1.96 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.53 7.81 119 D 8.07 4.45 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.54 4.16 0.00 0.96 0.61 0.04 0.63 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 0.00 121 E 7.65 3.79 0.00 2.19 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 2.33 2.54 0.00 122 F 8.00 3.94 0.00 3.01 2.78 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 0.00 123 Y 7.68 3.12 0.00 2.32 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 7.11 4.17 0.00 2.95 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 0.00 125 D 7.95 4.33 0.00 2.49 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.11 3.81 0.00 1.49 1.69 0.00 0.64 0.00 0.00 0.61 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.03 0.78 7.81 127 W 8.00 4.43 0.00 3.43 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 0.00 128 E 8.60 3.99 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 129 R 8.29 4.04 0.00 2.05 2.15 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 130 K 8.11 4.02 0.00 2.01 2.08 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.50 7.81 131 W 8.57 3.95 0.00 3.44 3.06 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 0.00 132 Y 7.83 3.97 0.00 3.26 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 0.00 133 S 8.61 4.25 0.00 3.95 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 0.00 134 D 8.25 4.56 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.40 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 0.00 136 H 7.11 2.00 0.00 2.79 2.31 0.00 5.83 0.00 0.00 0.00 0.00 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 K 6.96 4.44 0.00 1.56 1.55 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.40 7.81 138 D 8.64 5.01 0.00 2.67 2.66 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 0.00 139 I 8.56 4.15 1.75 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 1.18 0.75 0.85 0.00 0.00 140 N 8.86 5.11 0.00 2.74 2.76 0.00 0.00 7.42 7.79 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 0.00 141 N 8.19 4.14 0.00 2.80 2.76 0.00 0.00 7.19 8.67 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 0.00 142 P 0.00 4.49 0.00 1.88 1.79 0.00 3.49 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.97 0.00 143 K 8.61 4.95 0.00 1.71 1.83 0.00 2.02 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.43 7.81 144 I 8.19 4.09 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.93 0.67 0.00 0.00 145 P 0.00 4.80 0.00 2.31 2.06 0.00 3.55 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 2.27 2.17 0.00 146 V 8.55 3.80 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 1.05 0.00 0.00 0.84 0.00 0.00 147 K 8.05 3.92 0.00 1.89 1.85 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.56 7.81 148 Y 7.88 3.97 0.00 3.18 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 0.00 149 V 7.69 3.27 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 0.46 0.00 0.00 0.31 0.00 0.00 150 M 7.38 3.15 0.00 1.85 1.92 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 1.97 0.00 151 E 7.96 4.09 0.00 1.81 1.72 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 2.23 2.23 0.00 152 H 7.67 4.59 0.00 2.68 3.00 0.00 5.63 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 0.00 153 G 7.68 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 0.00 154 T 8.53 4.65 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 1.23 0.00 0.00 155 K 8.69 3.71 0.00 1.38 1.53 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.14 0.84 7.81 156 I 8.72 4.30 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 1.28 1.02 0.91 0.00 0.00 157 Y 7.48 4.12 0.00 2.83 2.71 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.