NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2914 8.1693 120.6262 54.2887 43.2630 176.9274 3 S 4.1793 8.1573 116.5158 57.6389 65.1826 173.9548 4 K 3.9301 8.6367 122.2855 59.5741 32.2161 180.7705 5 R 3.5397 7.3857 118.4154 59.4625 30.0309 178.2270 6 D 4.3254 8.0166 118.4523 57.1246 40.7980 178.5577 7 A 3.9734 8.1289 121.4068 55.1540 18.3359 179.7182 8 I 3.6359 7.6550 117.9531 64.5701 37.1925 178.6671 9 L 3.8478 7.8631 119.7437 57.4936 41.2994 179.3903 10 K 3.7416 8.0904 119.2977 59.6240 32.0780 178.7211 11 A 4.2395 8.2716 121.9670 54.3386 18.1351 179.4454 12 A 3.6122 8.1981 119.8182 55.2800 18.5895 179.7972 13 V 2.5216 7.5476 116.7548 65.9911 31.2194 178.1821 14 E 3.9308 7.8088 117.8896 59.3548 29.3884 179.5510 15 V 3.5557 7.9623 118.5469 66.1350 31.6749 178.0089 16 F 4.7238 8.2833 117.9254 60.7414 38.5636 177.9293 17 G 3.8262 8.2825 104.4299 47.5594 0.0000 175.0764 18 K 4.2958 7.9465 120.0128 57.4311 32.5523 177.8124 19 K 4.5215 8.3899 116.7015 54.5088 34.0599 177.3717 20 G 4.1842 8.0618 104.1806 45.1295 0.0000 173.9479 21 Y 4.2366 8.6126 119.2411 60.7966 38.9739 176.8589 22 D 4.3430 8.3228 117.2807 57.3057 41.3593 177.3255 23 R 4.1506 7.8716 114.7441 57.2234 30.7046 176.7605 24 A 4.2649 7.6217 122.0700 52.0270 19.1124 177.3591 25 T 4.7070 8.4139 112.3456 59.6495 72.8688 175.7933 26 T 3.7653 8.3017 113.1474 64.9294 68.9124 176.2041 27 D 4.3982 8.2040 121.3086 57.4841 40.8825 178.7131 28 E 4.1745 8.0697 119.9370 58.9627 29.3567 179.5551 29 I 3.5805 7.6461 119.5889 64.0742 37.1225 178.3338 30 A 3.9527 8.3041 121.9901 55.1968 18.0786 179.2834 31 E 3.8810 8.1498 117.0522 59.6740 29.3810 179.5792 32 K 3.9299 7.8683 117.6526 59.4670 32.3306 178.1101 33 A 4.2214 8.2121 119.2499 52.0778 18.9192 177.0632 34 G 3.7636 7.8718 104.5752 47.0452 0.0000 173.9291 35 V 4.5157 7.6356 110.1869 58.4292 35.7616 176.1093 36 A 4.2085 8.3193 124.1139 52.0908 18.8992 178.9892 37 K 4.1070 8.9188 120.5735 59.7197 31.7089 180.0923 38 G 3.8108 8.1947 105.1456 47.4251 0.0000 175.2556 39 L 4.0354 7.9980 122.7394 58.0325 42.0333 178.9588 40 I 3.9080 7.5686 119.8967 64.4387 36.8067 178.1159 41 F 5.0977 7.6685 117.6517 59.3580 38.8453 177.0555 42 H 4.1950 7.8485 117.5252 59.1786 29.7116 176.1622 43 Y 4.2946 7.6571 116.1909 58.0857 38.9712 175.7707 44 F 4.9470 7.9019 117.8493 55.0695 42.7697 175.6961 45 K 4.0544 9.1801 126.4250 59.3463 32.4016 176.2463 46 N 4.9475 7.8058 114.0405 51.0732 40.8003 174.6981 47 K 4.0630 8.6972 120.1854 59.7836 32.0401 178.2726 48 E 4.1813 8.4110 118.4002 59.6239 29.4311 178.8524 49 E 4.1316 9.2175 119.7790 59.0237 29.6825 178.5029 50 L 3.4358 8.2866 120.5938 58.0828 42.0655 178.2789 51 Y 3.9353 8.4319 119.4957 60.9046 38.5451 177.1878 52 Y 4.1928 8.2928 119.1233 61.2075 38.9382 178.0879 53 Q 4.1495 8.4774 117.4513 58.8086 29.1515 178.1641 54 A 4.1397 8.0926 123.3066 54.5084 18.2637 179.4050 55 Y 4.0603 8.0855 116.1399 58.1886 38.1436 177.7675 *57 S 4.3103 8.0073 114.3650 57.8453 65.3634 176.0209 58 V 3.5615 7.7880 120.8859 65.5835 31.0928 177.9934 59 T 3.7912 7.9503 109.7062 64.9670 68.4823 176.0849 60 E 3.9076 8.1593 120.9933 58.9251 29.4384 179.1191 61 K 3.9186 7.8698 119.0619 59.6095 32.3217 178.9520 62 L 3.7310 7.7561 118.9182 57.6513 41.3719 179.4410 63 Q 4.1135 8.4946 120.8907 59.5101 28.6511 179.7247 64 K 3.9959 8.1338 124.7780 59.6672 31.7604 180.7751 65 E 4.1949 8.3174 120.8259 59.1209 29.4821 178.8247 66 F 3.5396 8.3028 120.6693 60.8745 39.1582 176.4493 67 E 3.6299 8.0880 118.1614 59.5741 29.4245 178.3738 68 N 4.3893 7.8700 114.7380 56.1330 38.6427 176.9411 69 F 4.1287 7.8161 121.0585 60.9718 39.9119 177.8758 70 L 3.8107 7.3536 117.4671 55.6975 41.6073 178.3776 *72 K 4.2234 7.9979 116.4405 55.5106 34.0128 176.0764 73 N 4.9310 7.6178 113.8799 52.2067 40.2145 176.1995 74 R 3.9810 8.0832 116.0830 59.0866 29.3527 177.3366 75 N 4.6211 8.0486 113.6577 54.2143 39.1190 175.6277 76 R 4.1971 7.7925 117.7719 55.4987 30.9752 176.0251 77 D 4.4660 8.7029 119.8774 54.5599 41.7373 177.4725 78 I 3.7648 8.2568 125.1700 64.0806 38.3497 177.2839 79 F 4.4283 8.1399 118.1594 60.6010 39.3677 175.9268 80 D 4.6251 8.9795 120.2290 57.5542 41.2159 178.4269 81 F 4.2587 8.9141 117.8024 59.6083 39.4599 175.9299 *83 E 4.4255 8.2747 120.5435 56.1348 31.1624 178.0091 84 R 4.0463 8.2638 117.6454 59.0281 29.9735 178.8788 85 W 3.2851 8.3470 128.2425 60.0787 30.5129 178.1230 86 I 3.0562 7.4762 119.1368 64.2336 36.6594 177.8085 87 E 3.8313 8.0787 119.3818 59.4261 29.2161 179.5796 88 K 3.7985 7.8507 119.3558 59.2345 32.2079 178.7317 89 K 3.2084 6.9215 119.0543 59.3766 31.8583 179.0819 90 L 3.7641 7.5392 118.9359 57.9352 41.6024 179.6121 91 E 3.9369 8.0837 118.4041 59.2373 29.2028 178.6669 92 Y 3.8756 8.1469 119.9410 60.8138 38.6573 178.1883 93 S 4.1429 8.0805 112.3614 61.4753 62.5824 175.7124 94 A 4.1084 7.8892 122.5748 54.4376 18.1881 178.7435 95 S 4.4214 7.5547 109.9605 58.5752 65.2072 173.9911 96 H 4.7979 7.6226 119.4542 53.5435 29.0134 172.6479 97 P 4.4021 0.0000 0.0000 66.3907 31.7791 179.1470 98 E 4.0293 8.1024 117.9196 60.9616 29.6133 182.5535 99 E 4.2407 8.1680 118.6523 59.2438 29.5929 179.0983 100 A 3.9712 8.1416 120.8528 55.2705 18.2405 179.3165 101 D 4.3768 8.1432 116.4080 57.4907 41.2277 178.6436 102 F 4.4736 8.3020 120.9677 61.4871 39.2599 177.1508 103 L 3.7337 8.2307 119.0382 57.5761 40.9344 179.1710 104 I 3.9848 7.7115 111.8727 62.8826 37.6795 177.7170 105 T 3.7795 8.0124 111.9070 63.6502 68.6996 175.9455 106 L 3.7855 7.6998 124.4035 58.1648 41.7546 178.7505 107 V 3.6133 6.9717 117.9507 64.4094 30.9932 177.1289 108 S 4.5979 7.5033 111.9335 57.7799 63.1429 174.3515 109 V 3.2491 7.1205 120.6553 61.7656 31.9532 176.1900 110 D 4.4367 8.0669 127.0660 55.3588 42.3169 178.3106 111 E 3.9877 8.9078 122.8009 61.3358 29.6296 178.4948 112 G 3.7626 7.9306 105.9963 47.7443 0.0000 175.4502 113 L 3.9354 7.6595 122.7347 57.3979 42.1614 178.7484 114 R 3.7561 8.0973 121.3480 59.7778 29.8005 179.2365 115 K 3.9708 8.0879 124.9462 60.5954 31.7989 181.2012 116 R 4.2730 7.6395 120.8723 61.3750 29.4298 180.4617 117 I 4.4251 7.8119 120.0693 64.0347 36.7286 178.1168 118 L 3.9340 7.8253 120.2777 58.0312 41.4880 179.6396 119 L 4.0402 8.0371 118.6902 58.9821 39.8224 178.9413 120 D 4.3930 8.0510 119.1680 57.2883 41.1463 178.1590 121 L 4.2513 8.1581 121.3972 58.6315 41.6444 179.6449 122 E 4.0599 8.0044 119.8870 61.9265 29.8418 181.6204 123 K 4.1417 8.5411 125.2713 59.5214 31.4455 180.5833 124 S 4.7332 7.7845 111.1368 60.0301 63.5106 175.4166 125 Q 4.3223 8.0305 120.8616 55.8769 28.6985 177.2780 126 R 4.1246 7.5637 120.2975 59.5780 30.1386 178.6093 127 V 3.6511 7.9520 117.1779 66.0927 31.3458 177.3776 128 F 3.8672 8.0326 119.5463 61.6005 39.0333 177.0542 129 F 4.1543 8.0119 116.6815 60.1404 38.8312 177.6001 130 D 4.3941 8.5817 119.2957 57.2989 40.5641 178.5420 131 F 4.0577 8.4036 121.1977 61.1794 39.3511 177.2386 132 V 3.1130 7.6003 117.9400 65.8307 31.0590 177.6623 133 R 3.8058 7.8345 117.2445 59.7683 30.1538 177.9911 134 E 4.0108 7.8259 117.5789 59.2646 29.4707 179.4837 135 K 3.7686 7.8557 118.6987 58.9138 31.9563 179.3645 136 L 3.9509 7.9055 119.5407 57.3863 41.2137 179.3954 137 K 4.0542 7.4781 117.1042 58.7717 31.9956 178.1023 138 D 4.5335 7.6433 117.4730 54.4374 41.3163 176.2716 139 L 4.4374 6.8748 119.0569 53.9127 43.5617 176.7985 140 D 4.6692 8.4774 121.7341 52.9242 40.9085 175.1879 141 L 4.4992 8.2040 123.8658 53.7227 42.7968 176.9165 142 A 4.0908 8.5465 124.6094 51.8053 19.0748 176.9378 143 E 4.0502 8.4806 118.8679 58.5353 29.8185 177.9531 144 D 4.6539 8.8760 121.8719 54.3921 39.4760 174.5625 145 V 3.8349 7.3658 118.7529 61.9414 30.7862 176.1673 146 T 4.3372 8.0312 118.4503 60.8915 71.3793 175.2226 147 E 3.9096 8.5356 121.2267 59.3457 29.4417 179.2188 148 E 3.8779 8.0811 118.9239 59.4270 29.8152 178.7791 149 I 3.5652 7.8646 119.5770 64.2314 37.1463 178.2701 150 A 3.9606 8.1346 121.7065 55.0591 17.9930 179.5169 151 L 3.9302 7.7011 117.6549 58.2567 42.2833 178.9682 152 K 3.7812 7.8090 117.3842 59.1067 32.0655 178.7610 153 F 3.7946 8.3657 121.2569 61.0043 39.2635 178.2750 154 L 4.1326 7.7909 115.9531 55.0981 41.3189 179.1164 *156 W 4.9878 7.9724 120.8935 56.9658 31.2110 177.5720 157 F 4.1857 8.5715 120.1273 61.5051 38.6940 177.1890 158 F 4.6138 8.6744 117.7986 60.7379 38.7252 177.6793 159 S 4.3187 8.5179 114.5683 61.7858 62.7022 176.9873 160 G 3.6037 8.0979 108.2604 47.5450 0.0000 175.5880 161 F 4.3401 8.3782 123.4880 61.2489 39.3937 176.9969 162 E 3.8984 8.6742 121.0345 60.0989 29.2299 179.9338 163 E 4.0415 8.3641 118.2649 61.1616 29.7141 181.2953 164 V 3.8573 8.0662 119.5045 65.6861 31.5379 177.3420 165 Y 4.3090 8.6358 119.8389 60.9308 38.6450 178.2131 166 L 4.0190 8.2634 119.6579 58.0128 41.5680 179.6035 167 R 3.8804 7.7786 117.1577 59.6215 30.0278 178.3550 168 T 3.8179 7.8586 114.9366 65.6702 68.7891 175.1591 169 Y 4.5167 7.7688 116.7065 57.3911 39.4781 175.6731 170 Q 4.0841 7.7544 119.4009 57.5572 28.6715 177.1490 171 G 3.9488 9.0770 110.4608 45.5245 0.0000 173.3969 172 K 4.6927 7.9909 118.7889 54.1274 32.3446 175.2428 173 P 4.2947 0.0000 0.0000 66.0362 31.7926 178.5526 174 E 3.9771 8.1669 117.8498 58.8304 29.3884 178.9261 175 L 3.9898 7.8865 120.1910 57.9778 42.0781 178.4205 176 L 3.6331 7.8135 121.2574 58.6544 42.0296 179.3426 177 K 4.0842 7.8991 122.2560 60.0862 31.7088 180.7797 178 R 4.3049 8.0073 118.3256 58.1595 31.5664 178.2178 179 D 4.6124 8.0206 121.0507 52.9337 37.5488 176.4405 *181 N 4.6962 7.6880 120.0995 53.6573 41.4788 177.7246 182 T 3.9203 7.8526 114.2443 66.3551 68.4827 176.3780 183 L 3.9813 8.4152 122.7267 58.2080 42.1829 179.0737 184 V 3.6259 7.8367 117.5763 66.2205 31.3257 177.4377 185 E 4.0189 8.3168 118.1348 59.6539 29.0791 179.3839 186 E 4.0011 8.0325 117.4280 59.2583 29.6136 179.0805 187 V 3.8477 7.9581 117.5744 66.1090 32.0167 177.6500 188 K 4.1799 8.1555 118.0453 59.6154 31.8295 179.9514 189 V 3.7539 7.3935 115.5837 63.6644 31.2181 177.4607 *191 L 4.4181 7.9317 119.2401 54.3871 43.7547 179.4388 192 R 3.9184 7.8340 117.3304 58.8324 29.8617 179.1297 193 I 3.6290 7.9576 120.1063 64.2127 36.8925 178.2871 194 L 3.7442 7.6573 118.0363 57.5271 41.5788 178.9716 195 K 2.4800 7.3596 118.1561 58.9431 32.1102 178.4420 196 K 4.0867 7.6975 118.5287 58.9492 32.0973 177.7817 197 G 3.7113 7.5626 104.6812 44.4356 0.0000 173.3929 *199 T 4.2534 7.2149 109.3589 60.6230 69.9592 173.8253 200 K 4.1146 8.5080 120.8488 56.8911 31.9612 177.1952 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 L 8.17 4.29 0.00 1.63 1.65 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.16 4.18 0.00 4.05 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 4 K 8.64 3.93 0.00 1.79 2.03 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.61 1.57 7.81 5 R 7.39 3.54 0.00 1.22 1.69 0.00 2.90 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.41 0.00 6 D 8.02 4.33 0.00 2.84 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 7 A 8.13 3.97 1.34 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 8 I 7.66 3.64 2.18 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.78 0.92 0.00 0.00 9 L 7.86 3.85 0.00 1.81 1.64 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.09 3.74 0.00 1.86 1.92 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.41 7.81 11 A 8.27 4.24 1.29 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 12 A 8.20 3.61 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 13 V 7.55 2.52 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 0.81 0.00 0.00 0.28 0.00 0.00 14 E 7.81 3.93 0.00 2.08 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 2.29 2.38 0.00 15 V 7.96 3.56 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 0.86 0.00 0.00 0.87 0.00 0.00 16 F 8.28 4.72 0.00 3.77 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 17 G 8.28 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 18 K 7.95 4.30 0.00 2.18 1.86 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.34 7.81 19 K 8.39 4.52 0.00 1.91 1.84 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.54 7.81 20 G 8.06 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 0.00 0.00 0.00 0.00 21 Y 8.61 4.24 0.00 2.63 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 22 D 8.32 4.34 0.00 2.72 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 23 R 7.87 4.15 0.00 2.05 1.97 0.00 3.28 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 24 A 7.62 4.26 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 25 T 8.41 4.71 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 1.25 0.00 0.00 26 T 8.30 3.77 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 1.11 0.00 0.00 27 D 8.20 4.40 0.00 2.79 2.79 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 28 E 8.07 4.17 0.00 2.14 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 2.29 2.18 0.00 29 I 7.65 3.58 1.85 0.00 0.00 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 1.12 0.58 0.78 0.00 0.00 30 A 8.30 3.95 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 0.00 0.00 31 E 8.15 3.88 0.00 2.15 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 2.33 0.00 32 K 7.87 3.93 0.00 1.79 1.95 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.46 7.81 33 A 8.21 4.22 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 34 G 7.87 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 35 V 7.64 4.52 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 0.77 0.00 0.00 1.04 0.00 0.00 36 A 8.32 4.21 1.29 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 37 K 8.92 4.11 0.00 1.97 1.99 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.09 7.81 38 G 8.19 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 39 L 8.00 4.04 0.00 2.03 1.80 1.13 0.74 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 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0.00 0.00 0.00 1.73 0.71 0.60 0.00 0.00 118 L 7.83 3.93 0.00 1.67 1.72 0.87 0.54 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 0.00 119 L 8.04 4.04 0.00 1.89 1.96 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.05 4.39 0.00 2.92 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 0.00 121 L 8.16 4.25 0.00 2.01 1.78 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.00 4.06 0.00 1.99 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 2.25 2.21 0.00 123 K 8.54 4.14 0.00 1.73 1.89 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 124 S 7.78 4.73 0.00 4.06 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 0.00 125 Q 8.03 4.32 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 126 R 7.56 4.12 0.00 2.23 2.08 0.00 3.26 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 127 V 7.95 3.65 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 1.24 0.00 0.00 1.00 0.00 0.00 128 F 8.03 3.87 0.00 2.06 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 0.00 129 F 8.01 4.15 0.00 3.32 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 0.00 130 D 8.58 4.39 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 0.00 131 F 8.40 4.06 0.00 3.15 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 0.00 132 V 7.60 3.11 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 0.95 0.00 0.00 0.29 0.00 0.00 133 R 7.83 3.81 0.00 1.94 2.10 0.00 3.31 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 134 E 7.83 4.01 0.00 1.93 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 2.49 2.45 0.00 135 K 7.86 3.77 0.00 1.09 1.40 0.00 1.51 0.00 0.00 1.23 0.00 0.00 2.61 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.33 0.21 7.81 136 L 7.91 3.95 0.00 1.74 1.65 0.88 0.43 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 0.00 137 K 7.48 4.05 0.00 1.81 1.82 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.58 7.81 138 D 7.64 4.53 0.00 2.69 2.67 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 0.00 0.00 0.00 0.00 139 L 6.87 4.44 0.00 1.64 1.63 1.09 1.33 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 0.00 140 D 8.48 4.67 0.00 2.79 2.56 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 0.00 141 L 8.20 4.50 0.00 1.55 1.65 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.55 4.09 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 0.00 143 E 8.48 4.05 0.00 1.94 1.92 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 2.30 2.34 0.00 144 D 8.88 4.65 0.00 2.83 2.88 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 0.00 145 V 7.37 3.83 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 0.72 0.00 0.00 0.85 0.00 0.00 146 T 8.03 4.34 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 1.19 0.00 0.00 147 E 8.54 3.91 0.00 2.00 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 2.36 2.34 0.00 148 E 8.08 3.88 0.00 2.10 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 2.38 1.97 0.00 149 I 7.86 3.57 1.82 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 1.39 0.32 0.86 0.00 0.00 150 A 8.13 3.96 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 0.00 151 L 7.70 3.93 0.00 1.74 1.82 1.09 0.59 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 0.00 152 K 7.81 3.78 0.00 1.58 0.89 0.00 1.64 0.00 0.00 1.40 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 153 F 8.37 3.79 0.00 2.99 3.05 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 0.00 154 L 7.79 4.13 0.00 2.05 1.67 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *156 W 7.97 4.99 0.00 3.35 3.11 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 0.00 157 F 8.57 4.19 0.00 2.92 3.05 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 0.00 158 F 8.67 4.61 0.00 3.37 3.05 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 0.00 159 S 8.52 4.32 0.00 4.10 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 0.00 160 G 8.10 3.60 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 0.00 161 F 8.38 4.34 0.00 2.56 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 0.00 162 E 8.67 3.90 0.00 2.22 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 2.10 2.11 0.00 163 E 8.36 4.04 0.00 1.99 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 2.24 2.19 0.00 164 V 8.07 3.86 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 1.06 0.00 0.00 1.00 0.00 0.00 165 Y 8.64 4.31 0.00 3.34 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 0.00 166 L 8.26 4.02 0.00 1.80 1.75 0.97 0.83 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 0.00 167 R 7.78 3.88 0.00 1.91 2.09 0.00 3.23 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 168 T 7.86 3.82 3.52 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 0.35 0.00 0.00 169 Y 7.77 4.52 0.00 2.49 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 0.00 170 Q 7.75 4.08 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 171 G 9.08 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 0.00 0.00 0.00 172 K 7.99 4.69 0.00 1.93 1.75 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.50 7.81 173 P 0.00 4.29 0.00 2.25 2.31 0.00 3.82 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 2.08 2.06 0.00 174 E 8.17 3.98 0.00 2.01 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 0.00 2.40 2.31 0.00 175 L 7.89 3.99 0.00 1.80 1.93 0.96 0.44 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 0.00 176 L 7.81 3.63 0.00 1.45 1.78 0.32 0.41 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 0.00 177 K 7.90 4.08 0.00 1.90 1.72 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.36 7.81 178 R 8.01 4.30 0.00 1.94 2.05 0.00 3.14 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 179 D 8.02 4.61 0.00 2.88 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 *181 N 7.69 4.70 0.00 2.79 2.92 0.00 0.00 7.00 7.05 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 0.00 182 T 7.85 3.92 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 1.30 0.00 0.00 183 L 8.42 3.98 0.00 1.80 1.71 1.10 1.07 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 0.00 184 V 7.84 3.63 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 1.09 0.00 0.00 0.94 0.00 0.00 185 E 8.32 4.02 0.00 2.35 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 2.33 2.24 0.00 186 E 8.03 4.00 0.00 2.15 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 2.37 2.54 0.00 187 V 7.96 3.85 2.33 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 1.00 0.00 0.00 1.15 0.00 0.00 188 K 8.16 4.18 0.00 2.08 1.91 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.75 7.81 189 V 7.39 3.75 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 1.12 0.00 0.00 1.04 0.00 0.00 *191 L 7.93 4.42 0.00 2.04 1.95 1.42 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 192 R 7.83 3.92 0.00 2.05 1.94 0.00 3.15 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 193 I 7.96 3.63 1.79 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 1.48 0.88 0.83 0.00 0.00 194 L 7.66 3.74 0.00 1.82 1.84 0.92 0.80 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 0.00 195 K 7.36 2.48 0.00 0.95 1.61 0.00 1.78 0.00 0.00 1.55 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.17 0.97 7.81 196 K 7.70 4.09 0.00 1.76 1.70 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.37 7.81 197 G 7.56 3.71 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 0.00 0.00 0.00 *199 T 7.21 4.25 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 K 8.51 4.11 0.00 1.75 1.74 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.56 7.81 * Residues marked with a * may have inaccurate shift predictions.