NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 Y 5.0306 8.1293 118.3659 57.0602 38.7051 174.8391 9 P 4.3324 0.0000 0.0000 60.6149 31.8431 175.9790 10 K 4.0560 8.7812 119.0869 59.3833 33.6530 178.3996 11 N 4.6889 7.9963 115.7746 53.2703 39.4489 174.3111 12 C 4.4149 7.5234 111.8157 57.9061 30.8711 174.1772 13 L 3.8519 8.6063 123.3059 58.3902 41.6759 178.3834 14 L 4.0247 7.6808 118.4797 58.2504 42.5946 178.0259 15 T 3.9884 7.8698 115.0611 66.7318 68.6957 177.3298 16 V 3.3973 7.9471 120.4439 63.3840 31.3543 176.9089 *18 D 4.6357 8.1228 117.2929 52.2670 41.3316 177.2283 19 R 3.8695 8.1518 120.8795 59.6148 30.0634 177.4865 20 Y 4.0068 8.1783 119.3870 60.9262 38.8789 178.0569 21 S 4.0337 8.2219 113.2424 61.2332 62.3942 175.8750 22 A 3.9454 7.9201 123.6024 55.0260 17.9387 179.8225 23 V 3.4487 7.6523 115.9690 66.0496 31.6588 178.1786 24 V 3.5043 7.4717 117.4348 65.8343 31.5692 177.9130 25 R 4.0452 7.9029 117.9054 58.9383 29.8988 179.4825 26 N 4.1612 8.1372 115.9370 53.9049 38.7546 176.3326 *28 E 4.4715 8.1916 119.8532 56.0654 31.7238 177.5663 29 Q 4.1398 8.0077 117.2033 58.9541 29.0272 178.0058 30 V 3.7035 7.8774 116.7049 65.6357 31.7417 176.7613 31 V 3.6498 7.4899 118.0543 62.5899 32.2841 175.8191 *33 I 3.9766 7.9536 126.0658 60.7148 37.2340 174.3437 34 P 4.1839 0.0000 0.0000 64.7207 31.4817 177.9534 35 S 3.9943 7.9838 112.7341 60.7950 62.7351 176.1215 36 L 4.0370 7.5502 121.7123 57.3027 41.4285 178.7109 37 L 4.1561 7.9006 118.5887 55.7619 41.7683 177.3713 38 R 4.1177 6.9851 117.9890 57.6549 30.4182 176.4493 39 D 4.4983 9.3387 120.4213 54.7277 39.1616 173.8590 40 V 4.1407 7.3406 120.7513 61.1682 32.1925 175.5315 41 Q 4.4284 8.4526 126.6044 55.8117 29.6541 176.5212 42 L 4.0618 8.5127 121.5835 57.9367 41.9354 179.4785 43 S 4.0335 8.0079 113.1790 59.9608 62.8606 172.7022 44 G 3.3398 7.2568 110.0447 46.0876 0.0000 172.0125 45 P 3.7631 0.0000 0.0000 63.5856 27.2548 175.4355 *48 S 4.3139 8.0967 118.0114 57.1834 64.9235 174.3789 49 V 4.0854 7.6240 121.4528 61.2107 31.8340 175.3904 50 Q 4.3458 8.3300 126.0925 55.0066 30.4287 174.1536 51 D 4.4980 8.2858 117.5309 54.8251 41.7654 176.0542 52 G 4.0222 9.0208 113.8468 45.6451 0.0000 173.7412 53 A 4.2955 7.6111 121.5335 50.5997 19.2363 175.1551 54 P 4.3745 0.0000 0.0000 63.2509 32.1274 175.9108 55 D 5.0609 8.5183 121.0171 51.0146 42.4767 175.5028 56 L 4.0608 8.6891 119.4304 59.0312 41.7411 179.0535 57 Y 4.1473 8.2070 119.0040 60.9615 38.5819 177.8996 58 T 3.8651 8.1645 115.9693 66.5600 68.5841 175.8624 59 Y 4.1422 7.8091 120.4763 60.6346 39.2599 176.8589 60 F 4.2972 8.6220 122.1339 61.8716 39.3476 178.2401 61 T 3.5274 7.6177 112.0129 64.1690 68.3103 175.9523 *63 L 4.2094 7.7435 121.7620 54.8521 43.7723 179.4881 64 K 3.7502 7.5751 117.8129 59.3343 31.7581 179.4478 65 S 4.0602 7.9784 113.4995 61.2705 62.2345 176.2964 66 I 3.6847 7.5016 122.1528 64.3819 36.8769 177.6647 67 C 4.1984 8.2392 119.6053 62.6107 30.8069 175.8382 68 V 3.6399 7.8916 119.7848 65.9334 31.0221 177.8684 69 E 4.0809 7.8211 117.0756 59.0822 29.2715 179.1882 70 V 3.6103 8.0552 118.5445 66.0741 31.3559 177.6542 71 D 4.5800 8.1653 117.3316 56.4748 40.7432 177.2233 72 H 4.7192 7.6293 114.6262 54.8952 28.9440 175.7755 73 G 3.7632 7.9808 106.1882 45.6586 0.0000 172.6298 74 L 2.8359 7.5115 122.5100 54.0983 38.2034 171.5925 75 L 4.5641 7.7620 121.6247 51.9860 43.4182 174.3183 76 P 4.2847 0.0000 0.0000 63.3248 32.6137 175.1708 *105 D 4.7025 8.1306 122.5791 54.6390 42.1579 177.7048 106 R 4.7078 8.3269 122.4995 57.1416 29.6183 177.2286 107 I 4.0443 7.5574 111.5256 62.1947 38.0991 176.8445 108 S 4.1490 7.9447 115.3675 61.3131 61.7724 175.4674 109 E 4.1136 7.7510 121.0691 59.1282 29.0833 178.5032 110 E 4.0376 7.9086 119.2866 59.1781 29.4450 178.4400 111 L 4.4606 7.3562 116.9972 56.2854 42.2889 178.0469 112 D 4.5827 7.8634 117.7613 55.7031 40.7559 178.1130 113 L 4.0235 7.5977 119.3973 57.7503 41.5366 178.8831 114 E 3.9905 8.2006 118.5566 59.1889 29.5709 178.6286 115 A 4.0018 7.9597 120.3262 55.1855 18.4894 179.4101 116 Q 3.8468 8.3456 116.7814 59.0161 28.7984 178.6066 117 F 4.2160 8.6713 122.0313 61.8330 39.4257 176.5706 118 H 3.5287 8.5949 117.6769 58.8968 29.6069 176.6771 119 L 3.6838 7.9529 122.2326 58.5449 41.8426 178.3267 120 H 4.0955 7.9809 116.2251 59.1653 28.7268 177.7514 121 F 4.1341 8.1206 116.4342 60.1585 37.5618 177.2480 122 C 3.9262 7.2777 117.4628 62.4011 27.8196 176.1077 123 S 4.2109 7.9961 115.8663 60.8673 62.6884 176.3568 124 L 3.9224 8.0305 122.9328 58.1488 41.4330 178.8072 125 H 4.0610 8.1922 117.8708 59.7448 29.7770 176.7309 126 H 4.3654 8.3234 119.8857 59.0616 29.6757 177.2964 127 I 3.6583 8.2152 122.1001 64.5266 36.9723 178.3826 128 L 4.0887 8.0968 119.7741 58.0640 41.2861 179.9250 129 T 3.8383 7.9069 115.7130 66.7354 68.4048 176.1020 130 H 4.1222 8.2867 120.0395 59.5484 29.9589 177.3790 131 L 3.9797 8.4176 120.9900 57.8130 41.4913 179.5674 132 T 3.8271 8.2668 116.3613 66.7201 68.5261 176.4895 133 R 3.8981 7.7627 120.1864 59.2775 29.9989 178.8002 134 K 3.9067 7.9430 118.1110 59.3557 32.1004 178.9271 135 A 3.9646 8.4937 121.3782 55.6448 18.1572 179.7113 136 Q 3.9771 7.9984 115.7611 59.2119 28.7146 178.9840 137 E 3.9888 8.0640 119.3813 59.1768 29.4615 179.5372 138 V 3.6116 8.1271 118.7753 66.1588 31.5797 178.2507 139 T 3.8692 7.9410 115.4935 66.6594 68.2626 176.4633 140 R 3.9034 8.1347 120.6465 59.3379 29.8338 178.3770 141 K 3.9130 8.0239 118.1690 59.7068 32.3205 177.7075 142 Y 4.1120 7.9301 118.3806 60.8578 38.9161 177.7547 143 Q 4.2736 8.2999 118.9005 58.9747 28.7006 179.3021 144 E 4.1722 8.3128 116.4035 57.2179 28.9560 178.0017 *146 T 4.1778 7.7431 107.3584 60.9007 69.9985 173.5374 147 G 4.0524 8.0898 108.0370 47.3766 0.0000 175.7224 148 Q 4.1266 8.3169 120.5153 57.3813 29.1716 176.8575 149 V 3.9904 7.5388 121.3809 62.8898 31.9182 174.7380 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 8 Y 8.13 5.03 0.00 3.00 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 9 P 0.00 4.33 0.00 2.33 2.23 0.00 3.95 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 10 K 8.78 4.06 0.00 1.88 2.01 0.00 1.46 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.51 7.81 11 N 8.00 4.69 0.00 2.71 2.86 0.00 0.00 7.02 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 12 C 7.52 4.41 0.00 3.14 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 13 L 8.61 3.85 0.00 1.57 1.70 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.68 4.02 0.00 1.31 1.27 0.67 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.87 3.99 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 1.27 0.00 0.00 16 V 7.95 3.40 2.30 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 0.97 0.00 0.00 0.94 0.00 0.00 *18 D 8.12 4.64 0.00 2.97 2.95 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 19 R 8.15 3.87 0.00 2.12 2.01 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 20 Y 8.18 4.01 0.00 3.14 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 21 S 8.22 4.03 0.00 3.96 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 22 A 7.92 3.95 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 23 V 7.65 3.45 2.05 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 0.76 0.00 0.00 0.92 0.00 0.00 24 V 7.47 3.50 1.60 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 0.66 0.00 0.00 -0.03 0.00 0.00 25 R 7.90 4.05 0.00 1.93 1.92 0.00 3.31 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 26 N 8.14 4.16 0.00 2.79 2.89 0.00 0.00 7.19 7.25 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 *28 E 8.19 4.47 0.00 2.14 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 0.00 2.12 2.42 0.00 29 Q 8.01 4.14 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.97 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 30 V 7.88 3.70 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 0.72 0.00 0.00 0.95 0.00 0.00 31 V 7.49 3.65 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 0.44 0.00 0.00 0.90 0.00 0.00 *33 I 7.95 3.98 1.84 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 1.40 0.98 0.89 0.00 0.00 34 P 0.00 4.18 0.00 2.36 2.12 0.00 3.62 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 35 S 7.98 3.99 0.00 3.92 4.01 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 0.00 0.00 0.00 36 L 7.55 4.04 0.00 1.71 1.74 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.90 4.16 0.00 1.89 1.75 0.25 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 38 R 6.99 4.12 0.00 1.82 1.81 0.00 3.27 0.00 0.00 3.04 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.57 0.00 39 D 9.34 4.50 0.00 2.81 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 40 V 7.34 4.14 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 1.07 0.00 0.00 0.93 0.00 0.00 41 Q 8.45 4.43 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 42 L 8.51 4.06 0.00 1.66 1.59 0.98 0.68 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 43 S 8.01 4.03 0.00 3.84 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 44 G 7.26 3.34 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 0.00 0.00 0.00 0.00 45 P 0.00 3.76 0.00 2.11 2.31 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 *48 S 8.10 4.31 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 49 V 7.62 4.09 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 0.87 0.00 0.00 0.93 0.00 0.00 50 Q 8.33 4.35 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 51 D 8.29 4.50 0.00 2.66 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 9.02 4.02 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 0.00 53 A 7.61 4.30 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 54 P 0.00 4.37 0.00 2.10 2.08 0.00 3.65 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 2.07 2.13 0.00 55 D 8.52 5.06 0.00 3.13 2.81 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 56 L 8.69 4.06 0.00 1.95 1.95 1.00 1.08 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 57 Y 8.21 4.15 0.00 3.11 3.17 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 58 T 8.16 3.87 4.46 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 1.27 0.00 0.00 59 Y 7.81 4.14 0.00 3.00 3.25 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 60 F 8.62 4.30 0.00 3.14 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 61 T 7.62 3.53 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 1.09 0.00 0.00 *63 L 7.74 4.21 0.00 1.63 1.54 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.58 3.75 0.00 1.58 1.61 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 0.85 7.81 65 S 7.98 4.06 0.00 3.87 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 66 I 7.50 3.68 1.80 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.26 -0.10 0.00 0.00 67 C 8.24 4.20 0.00 2.99 3.01 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 0.00 0.00 0.00 68 V 7.89 3.64 2.22 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 0.98 0.00 0.00 0.93 0.00 0.00 69 E 7.82 4.08 0.00 2.38 1.97 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 2.44 2.39 0.00 70 V 8.06 3.61 2.29 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 1.10 0.00 0.00 0.93 0.00 0.00 71 D 8.17 4.58 0.00 2.75 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 72 H 7.63 4.72 0.00 3.10 3.31 0.00 5.98 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 73 G 7.98 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 0.00 0.00 0.00 74 L 7.51 2.84 0.00 1.53 0.47 0.63 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.76 4.56 0.00 1.62 1.60 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.28 0.00 2.00 1.90 0.00 3.67 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 1.62 2.02 0.00 *105 D 8.13 4.70 0.00 2.80 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.33 4.71 0.00 1.87 2.22 0.00 3.12 0.00 0.00 3.48 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 107 I 7.56 4.04 1.83 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 1.40 0.83 0.87 0.00 0.00 108 S 7.94 4.15 0.00 3.92 3.91 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 0.00 0.00 0.00 109 E 7.75 4.11 0.00 2.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 110 E 7.91 4.04 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.77 0.00 111 L 7.36 4.46 0.00 1.67 1.76 0.98 1.23 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 0.00 112 D 7.86 4.58 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 0.00 113 L 7.60 4.02 0.00 1.90 1.74 0.98 0.80 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 0.00 114 E 8.20 3.99 0.00 2.01 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 2.43 2.44 0.00 115 A 7.96 4.00 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 0.00 116 Q 8.35 3.85 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 117 F 8.67 4.22 0.00 3.15 3.38 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 0.00 118 H 8.59 3.53 0.00 3.39 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.95 3.68 0.00 1.65 1.64 0.82 1.22 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 0.00 120 H 7.98 4.10 0.00 3.26 3.26 0.00 5.68 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 F 8.12 4.13 0.00 2.87 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.28 3.93 0.00 2.79 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.00 4.21 0.00 4.03 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 0.00 124 L 8.03 3.92 0.00 1.94 1.79 0.91 0.77 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 0.00 125 H 8.19 4.06 0.00 3.41 3.51 0.00 5.58 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 0.00 126 H 8.32 4.37 0.00 3.34 3.37 0.00 5.66 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 0.00 127 I 8.22 3.66 1.92 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 1.48 0.37 0.91 0.00 0.00 128 L 8.10 4.09 0.00 1.65 1.70 0.91 0.64 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 0.00 129 T 7.91 3.84 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 1.25 0.00 0.00 130 H 8.29 4.12 0.00 3.31 3.54 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 0.00 131 L 8.42 3.98 0.00 1.67 1.68 0.92 0.73 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 0.00 132 T 8.27 3.83 4.39 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 1.20 0.00 0.00 133 R 7.76 3.90 0.00 1.83 1.99 0.00 3.25 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 1.62 1.67 0.00 134 K 7.94 3.91 0.00 1.86 1.78 0.00 1.53 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.35 7.81 135 A 8.49 3.96 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 0.00 136 Q 8.00 3.98 0.00 2.33 2.16 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 2.38 2.58 0.00 137 E 8.06 3.99 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 138 V 8.13 3.61 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 1.05 0.00 0.00 0.97 0.00 0.00 139 T 7.94 3.87 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 1.22 0.00 0.00 140 R 8.13 3.90 0.00 2.05 2.09 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 141 K 8.02 3.91 0.00 1.88 2.03 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.51 7.81 142 Y 7.93 4.11 0.00 3.03 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 0.00 143 Q 8.30 4.27 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.83 0.00 0.00 0.00 0.00 0.00 2.69 2.64 0.00 144 E 8.31 4.17 0.00 2.23 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 2.32 2.32 0.00 *146 T 7.74 4.18 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 0.57 0.00 0.00 147 G 8.09 4.05 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 0.00 148 Q 8.32 4.13 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.30 0.00 149 V 7.54 3.99 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 0.80 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.