NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3624 8.3149 122.0545 55.6576 34.5895 175.6936 6 I 4.4838 8.4558 120.1339 58.4065 40.9691 169.5973 7 V 4.8990 9.1484 126.4723 61.2930 34.1815 173.7412 8 L 5.2146 9.0638 128.2234 53.0012 44.0675 175.5125 9 K 5.2508 8.7160 122.2556 54.7571 35.3966 176.9176 10 S 4.6001 8.9647 119.8130 57.2806 64.7917 174.5628 11 S 4.4921 8.4435 113.9881 59.5081 63.3943 173.9236 12 D 4.9298 7.9592 122.0095 52.8789 39.1566 177.8274 13 G 4.0099 8.2052 108.0898 46.4507 0.0000 173.6846 14 E 4.6826 7.7380 119.4326 55.5263 31.3612 175.5997 15 S 5.4181 8.3710 115.2717 56.8543 66.7543 173.0944 16 F 4.7704 9.3937 118.8272 55.7075 43.1625 173.3825 17 E 5.1139 9.0104 123.4526 54.6134 31.6089 175.2489 18 V 4.6664 8.9214 120.1289 59.1313 35.8611 175.4900 19 E 4.2720 8.7184 122.7338 56.1648 30.1573 177.6705 20 E 3.8694 9.0391 122.3764 59.5627 29.1564 179.3161 21 A 3.9777 7.9057 119.3483 55.1293 18.7073 178.9146 22 V 3.6433 7.9055 115.9840 66.5068 31.1500 177.9612 23 A 4.0189 7.7243 119.7759 54.8254 17.9818 178.6646 24 L 4.2630 7.3697 114.8921 55.4738 42.0025 178.1620 25 E 4.0626 7.7626 120.2433 57.8970 30.0927 176.7997 26 S 4.5022 7.4159 114.5043 57.7456 62.6410 174.7787 27 Q 4.0474 8.6738 127.2061 58.5939 28.4613 178.5969 28 T 3.8370 7.8511 117.2954 66.8540 68.5077 175.8926 29 I 3.5393 8.1183 121.3785 64.7647 36.9816 177.9847 30 A 3.8907 7.4326 119.8606 55.5481 18.1873 178.5982 31 H 4.6379 7.5281 111.4931 57.4174 29.5786 177.2279 32 M 4.4188 7.7319 120.2891 57.3908 32.0417 175.9959 33 V 3.2847 7.3871 120.9139 63.0709 31.2392 174.8000 *40 N 4.2908 8.5275 125.2354 55.1962 39.1980 172.7541 41 G 3.7758 8.8481 113.9601 44.0730 0.0000 172.8505 42 V 3.9479 8.8229 126.8753 62.0031 32.1041 173.8130 43 P 4.8654 0.0000 0.0000 62.2281 33.1533 176.4606 44 L 5.0275 8.0627 118.1325 52.6056 42.0269 175.5949 45 P 4.4600 0.0000 0.0000 64.2613 31.7127 177.5308 46 N 4.5896 8.1371 114.9560 52.9383 39.6924 174.3606 47 V 4.2499 7.4189 119.5502 61.9506 32.4164 174.1889 48 T 4.0100 7.7350 123.5210 60.9853 70.8019 173.9010 49 S 4.1497 8.7384 121.0570 62.3459 62.6192 177.5977 50 K 4.1993 7.7130 121.2554 59.6391 32.3442 178.0127 51 I 3.8860 7.6757 119.3616 63.7603 37.4567 177.6544 52 L 3.7237 8.2198 121.4042 58.0109 41.5991 178.9578 53 A 4.0473 8.4783 120.7839 55.1697 18.4319 179.4922 54 K 3.9758 7.7114 116.3114 59.9384 32.2312 179.4121 55 V 3.6523 8.0916 118.4233 66.5193 31.2778 178.2628 56 I 3.7524 7.8581 119.2381 64.0913 37.0714 177.7892 57 E 3.9377 8.4804 120.4351 59.5486 29.5576 178.3546 58 Y 3.6648 8.0955 119.1998 60.9594 38.6477 177.6872 59 C 4.0635 8.1442 116.1076 62.5117 28.1884 176.0915 60 K 4.0532 8.2295 119.8246 59.5600 31.7499 178.9473 61 R 3.9385 7.2912 116.1408 59.6872 30.0239 178.7864 62 H 4.1948 7.1201 111.2653 56.1258 28.7957 176.2358 *86 W 5.0359 7.6018 129.4798 56.9314 30.7042 176.5484 87 D 4.1627 7.3701 115.8791 54.6386 40.4585 175.4833 88 A 4.9504 8.5760 120.3189 53.9265 26.3000 179.0657 89 D 4.4969 8.6371 115.5663 57.5298 41.6496 178.7961 90 F 4.2060 8.0007 119.2262 60.6772 39.4743 175.6032 91 M 4.2856 7.5232 117.9291 55.6485 32.4898 177.4697 92 K 4.3271 7.4025 119.7147 56.2988 29.4428 175.6180 93 I 4.4998 7.2397 114.6919 59.3142 41.2674 174.9516 94 D 4.7044 8.0235 120.0172 52.3144 41.8010 176.0337 95 Q 3.5856 7.8425 118.4364 59.3152 29.0468 178.2411 96 A 3.6915 7.7282 121.1552 55.4838 18.2358 179.6673 97 T 3.8947 7.7995 113.3517 66.5312 68.8314 176.5072 98 L 3.8813 7.5832 122.0984 58.6673 42.1616 178.8801 99 F 4.1245 8.3625 117.3648 60.8390 38.8046 177.2872 100 E 4.2345 7.8323 117.2240 58.4936 29.6532 177.7020 101 L 3.8762 8.3020 119.2332 58.2144 41.7211 179.3082 102 I 3.6694 8.1275 119.2808 64.8318 37.1284 178.3978 103 L 3.9716 7.5805 117.7515 57.7658 41.4769 179.4389 104 A 4.1034 8.5225 120.9620 55.1911 18.3190 179.5671 105 A 3.9388 8.3902 119.6882 55.1853 18.4444 179.4631 106 N 4.2671 8.2118 115.6967 56.9716 38.8560 176.5900 107 Y 4.3516 8.1466 120.1616 60.4693 39.2763 177.1811 108 L 3.8507 8.4492 118.1851 53.7612 43.2047 175.6741 109 N 4.3907 7.7116 116.0053 54.5218 36.0834 175.3178 110 I 4.4020 7.6370 119.3889 59.1053 37.8489 176.9987 111 K 3.7680 8.5346 126.0453 59.7284 31.8277 177.3168 112 N 4.2786 8.2405 116.2321 56.3145 36.9148 176.6283 113 L 3.3216 7.7271 121.9466 57.2882 42.2662 178.1312 114 L 3.8958 8.0210 120.6073 58.9141 41.8506 178.1513 115 D 4.3292 8.5293 118.9449 57.0375 40.5663 178.1357 116 L 3.9412 8.5668 120.8781 58.9841 42.3003 179.8266 117 T 3.9943 8.3584 109.6535 64.6042 68.7370 176.6955 118 C 4.1138 8.6830 120.0200 62.8814 28.2312 175.6910 119 Q 3.9907 8.2164 119.8474 59.6585 28.1139 180.1591 120 T 3.9186 7.4573 115.1438 66.6243 68.7587 176.7359 121 V 3.8282 7.7478 119.4639 65.8620 31.3329 177.6423 122 A 4.0497 8.2642 120.6921 55.5696 18.0962 179.2746 123 D 4.4460 8.4229 115.3178 56.9542 40.9281 178.1295 124 M 4.3633 8.1044 118.4603 56.8802 32.6336 177.6516 125 I 4.1808 9.3694 119.8852 61.9598 37.8485 176.3190 126 K 3.9913 7.5577 119.1489 57.6553 32.3673 177.0885 127 G 3.9785 9.2011 111.4463 45.1701 0.0000 172.7874 128 K 4.7705 7.2212 116.8926 54.2498 34.7160 176.4706 129 T 4.1707 12.0000 112.3964 60.6356 69.8010 173.5381 130 P 4.1796 0.0000 0.0000 66.3659 31.0041 178.7286 131 E 4.1912 7.6470 115.2905 59.0881 29.5735 178.7253 132 E 4.2406 8.4091 119.0360 58.8488 29.5923 179.1632 133 I 3.7981 7.6369 119.4186 64.4796 37.0769 178.3001 134 R 3.9518 8.3268 118.1107 58.4067 29.9379 178.0987 135 T 4.3234 8.7311 113.8434 65.4240 71.7371 175.4335 136 T 4.0045 8.6936 117.3850 66.8329 68.6294 175.4214 137 F 4.5361 8.8957 117.6496 57.7005 40.1566 174.4007 138 N 5.2474 8.5129 115.1049 52.7064 38.4548 174.1976 139 I 4.1569 7.6855 120.5463 60.5671 38.6721 176.1647 140 K 4.4522 8.2878 123.0415 55.0205 34.2293 175.5605 141 N 4.6053 8.7120 121.4364 53.3094 38.7479 174.1636 142 D 4.9373 8.3119 126.5820 52.9412 40.0850 176.1197 143 F 4.5642 8.7421 119.0685 57.7583 39.9509 176.7080 144 T 4.0957 9.2683 115.9437 62.5050 70.4694 175.2686 145 P 3.4148 0.0000 0.0000 63.4430 34.5983 176.9413 146 E 4.1313 8.0480 116.4171 58.4103 30.4088 178.5708 147 E 3.9919 8.1238 119.4533 59.0750 29.5821 178.5204 148 E 3.2365 8.5244 119.6542 59.1494 29.6956 178.6033 149 E 4.0377 7.6020 117.5604 58.1155 30.0440 177.6970 150 E 3.7764 8.1290 119.8002 58.9272 29.6767 179.0627 151 V 3.4231 7.4651 117.8027 65.9486 31.7824 177.4586 152 R 3.7585 7.5895 118.5870 59.7389 29.6725 178.2732 153 R 3.3558 7.5488 117.5653 59.1505 30.0253 178.0683 154 E 3.8104 7.8170 118.9818 59.1620 29.5358 178.0277 155 N 4.5299 8.6877 116.9414 57.1323 38.4903 177.3322 156 Q 4.4437 8.0032 119.0658 58.0316 29.0519 178.1669 157 W 4.5817 8.5703 118.7698 58.2114 29.4356 177.6562 158 A 4.2969 7.8159 119.2678 52.2736 19.5427 177.3123 159 F 4.9867 8.2940 112.4930 57.1428 40.8120 175.2713 160 E 4.3644 8.1568 126.0625 56.4322 29.8318 175.6610 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 5 K 8.31 4.36 0.00 1.79 1.91 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.48 7.81 6 I 8.46 4.48 1.88 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 1.11 0.18 0.92 0.00 0.00 7 V 9.15 4.90 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 1.05 0.00 0.00 0.95 0.00 0.00 8 L 9.06 5.21 0.00 1.61 1.52 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.72 5.25 0.00 1.74 1.74 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 10 S 8.96 4.60 0.00 4.21 4.14 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 11 S 8.44 4.49 0.00 4.04 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 12 D 7.96 4.93 0.00 2.82 2.87 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 13 G 8.21 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 0.00 0.00 0.00 14 E 7.74 4.68 0.00 1.99 1.82 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 2.31 2.39 0.00 15 S 8.37 5.42 0.00 3.88 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 16 F 9.39 4.77 0.00 3.08 2.91 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 17 E 9.01 5.11 0.00 1.94 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 2.19 2.31 0.00 18 V 8.92 4.67 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 0.99 0.00 0.00 19 E 8.72 4.27 0.00 2.02 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 20 E 9.04 3.87 0.00 1.99 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 2.37 2.34 0.00 21 A 7.91 3.98 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 22 V 7.91 3.64 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 1.03 0.00 0.00 0.91 0.00 0.00 23 A 7.72 4.02 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 24 L 7.37 4.26 0.00 1.57 1.68 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.76 4.06 0.00 2.07 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 2.32 2.36 0.00 26 S 7.42 4.50 0.00 3.81 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.67 4.05 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 28 T 7.85 3.84 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 0.93 0.00 0.00 29 I 8.12 3.54 1.97 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.87 0.00 0.00 30 A 7.43 3.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.53 4.64 0.00 3.16 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.73 4.42 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.57 0.00 33 V 7.39 3.28 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 0.71 0.00 0.00 0.96 0.00 0.00 *40 N 8.53 4.29 0.00 2.73 2.79 0.00 0.00 7.36 7.98 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 41 G 8.85 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 42 V 8.82 3.95 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 0.94 0.00 0.00 0.93 0.00 0.00 43 P 0.00 4.87 0.00 2.15 2.06 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 44 L 8.06 5.03 0.00 1.76 1.69 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.46 0.00 2.16 2.19 0.00 3.88 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 2.02 2.03 0.00 46 N 8.14 4.59 0.00 1.74 2.49 0.00 0.00 6.74 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.42 4.25 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 1.01 0.00 0.00 1.10 0.00 0.00 48 T 7.73 4.01 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 1.24 0.00 0.00 49 S 8.74 4.15 0.00 4.05 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 50 K 7.71 4.20 0.00 1.85 1.81 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.60 7.81 51 I 7.68 3.89 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 1.53 0.40 0.91 0.00 0.00 52 L 8.22 3.72 0.00 1.65 1.11 0.46 0.70 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 53 A 8.48 4.05 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.71 3.98 0.00 1.99 2.01 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.66 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.46 1.54 7.81 55 V 8.09 3.65 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 1.00 0.00 0.00 0.96 0.00 0.00 56 I 7.86 3.75 2.06 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 1.45 0.59 0.98 0.00 0.00 57 E 8.48 3.94 0.00 2.15 2.37 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 2.44 2.42 0.00 58 Y 8.10 3.66 0.00 2.28 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 C 8.14 4.06 0.00 3.09 2.97 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 60 K 8.23 4.05 0.00 1.85 1.84 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 61 R 7.29 3.94 0.00 1.59 1.63 0.00 2.97 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 62 H 7.12 4.19 0.00 2.69 3.11 0.00 5.88 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *86 W 7.60 5.04 0.00 3.38 2.97 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 87 D 7.37 4.16 0.00 1.58 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 88 A 8.58 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.64 4.50 0.00 2.89 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.00 4.21 0.00 3.05 3.22 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 0.00 91 M 7.52 4.29 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 3.05 0.00 92 K 7.40 4.33 0.00 1.77 1.78 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.56 7.81 93 I 7.24 4.50 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.60 0.58 0.00 0.00 94 D 8.02 4.70 0.00 2.74 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 95 Q 7.84 3.59 0.00 1.81 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.00 96 A 7.73 3.69 1.22 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 0.00 0.00 0.00 97 T 7.80 3.89 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 98 L 7.58 3.88 0.00 1.76 1.84 0.95 1.03 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 99 F 8.36 4.12 0.00 3.08 3.04 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 0.00 100 E 7.83 4.23 0.00 2.26 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 2.28 2.36 0.00 101 L 8.30 3.88 0.00 1.99 1.78 0.98 0.74 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 0.00 102 I 8.13 3.67 2.02 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 1.53 0.96 0.87 0.00 0.00 103 L 7.58 3.97 0.00 1.96 1.72 0.91 0.78 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 0.00 104 A 8.52 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 0.00 105 A 8.39 3.94 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 0.00 106 N 8.21 4.27 0.00 2.97 3.02 0.00 0.00 6.83 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 0.00 107 Y 8.15 4.35 0.00 2.94 3.19 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 0.00 108 L 8.45 3.85 0.00 1.55 1.51 0.90 0.35 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 0.00 109 N 7.71 4.39 0.00 3.03 2.82 0.00 0.00 6.74 7.88 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 0.00 110 I 7.64 4.40 1.81 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 1.13 0.74 0.95 0.00 0.00 111 K 8.53 3.77 0.00 1.85 1.82 0.00 1.96 0.00 0.00 1.87 0.00 0.00 3.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.60 7.81 112 N 8.24 4.28 0.00 3.10 3.12 0.00 0.00 5.72 6.67 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 0.00 113 L 7.73 3.32 0.00 0.93 1.57 0.25 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.02 3.90 0.00 2.00 1.77 0.91 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.53 4.33 0.00 2.87 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 0.00 116 L 8.57 3.94 0.00 1.74 1.60 1.01 0.82 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 0.00 117 T 8.36 3.99 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 1.20 0.00 0.00 118 C 8.68 4.11 0.00 2.99 3.03 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 0.00 119 Q 8.22 3.99 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 120 T 7.46 3.92 4.45 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 1.26 0.00 0.00 121 V 7.75 3.83 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 1.32 0.00 0.00 1.03 0.00 0.00 122 A 8.26 4.05 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 0.00 123 D 8.42 4.45 0.00 2.88 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 0.00 124 M 8.10 4.36 0.00 2.19 2.48 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.64 0.00 125 I 9.37 4.18 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.88 0.00 0.00 126 K 7.56 3.99 0.00 1.77 1.77 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.59 7.81 127 G 9.20 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.22 4.77 0.00 1.87 1.79 0.00 1.78 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.56 7.81 129 T 12.00 4.17 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 1.22 0.00 0.00 130 P 0.00 4.18 0.00 2.17 2.17 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 131 E 7.65 4.19 0.00 2.07 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 2.36 2.41 0.00 132 E 8.41 4.24 0.00 2.13 2.02 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 2.34 2.36 0.00 133 I 7.64 3.80 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.60 0.00 0.00 134 R 8.33 3.95 0.00 1.96 2.03 0.00 3.10 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 135 T 8.73 4.32 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 136 T 8.69 4.00 4.59 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 1.29 0.00 0.00 137 F 8.90 4.54 0.00 3.12 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 0.00 138 N 8.51 5.25 0.00 2.69 2.77 0.00 0.00 6.90 7.94 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 0.00 139 I 7.69 4.16 1.88 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 1.46 0.64 0.90 0.00 0.00 140 K 8.29 4.45 0.00 1.84 1.80 0.00 1.45 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.45 7.81 141 N 8.71 4.61 0.00 2.76 2.84 0.00 0.00 6.93 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.31 4.94 0.00 2.67 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 0.00 143 F 8.74 4.56 0.00 3.12 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 0.00 144 T 9.27 4.10 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 1.28 0.00 0.00 145 P 0.00 3.41 0.00 2.29 2.13 0.00 3.80 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 1.98 2.08 0.00 146 E 8.05 4.13 0.00 2.17 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 2.35 2.33 0.00 147 E 8.12 3.99 0.00 2.31 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 2.37 2.36 0.00 148 E 8.52 3.24 0.00 1.88 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 0.00 2.17 2.04 0.00 149 E 7.60 4.04 0.00 2.11 2.02 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 2.17 2.19 0.00 150 E 8.13 3.78 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 151 V 7.47 3.42 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.87 0.00 0.00 152 R 7.59 3.76 0.00 1.84 1.98 0.00 3.10 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 153 R 7.55 3.36 0.00 1.51 1.39 0.00 2.21 0.00 0.00 2.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 154 E 7.82 3.81 0.00 2.14 2.12 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 2.85 2.43 0.00 155 N 8.69 4.53 0.00 2.99 2.93 0.00 0.00 7.06 8.08 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 0.00 156 Q 8.00 4.44 0.00 2.28 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.31 0.00 157 W 8.57 4.58 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.82 4.30 0.27 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 0.00 159 F 8.29 4.99 0.00 3.10 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 0.00 160 E 8.16 4.36 0.00 2.06 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 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.