NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2377 8.3349 115.2430 58.4878 63.7910 173.1267 3 H 4.4322 7.5697 131.6530 53.8390 26.6334 176.1466 *5 S 4.6330 9.0185 123.9916 58.3394 65.5202 171.9652 6 F 4.6607 8.6340 123.8096 58.8420 39.5751 173.9677 7 D 4.8997 8.1525 123.6187 52.9846 44.1831 175.9839 8 K 4.0331 8.9949 123.8830 58.7450 32.8306 177.3156 9 Q 4.4022 8.5654 118.0905 55.6981 29.4616 175.4898 10 N 4.6724 8.0411 116.8162 53.6707 40.2102 173.7032 11 L 4.7596 9.0147 120.8357 53.0946 45.0467 175.6138 12 I 4.6538 8.8053 125.1147 59.9433 38.8713 174.6871 13 W 5.3860 9.4927 127.9266 54.5448 31.3481 175.3409 14 I 5.2371 8.3679 122.4584 59.7729 41.4820 174.1536 15 D 4.6831 9.0223 127.7213 53.1334 43.7476 174.4203 16 L 4.7212 9.4751 126.8387 54.5261 42.9901 176.3699 17 E 4.6450 8.8486 121.0494 54.9582 32.5061 177.1936 *19 T 4.2187 8.5147 109.7310 60.8667 70.5211 173.4094 20 G 4.0683 7.2308 108.1380 46.4073 0.0000 172.4054 21 L 4.5470 8.7304 117.3175 55.0690 43.1322 176.3488 22 D 4.7241 8.0169 119.0996 51.7671 41.5450 174.9157 23 P 3.4586 0.0000 0.0000 65.4395 31.1580 177.9344 24 E 4.1512 8.0604 116.7947 57.8485 29.3608 177.2629 25 K 4.6477 8.1115 115.4146 55.5454 34.2762 175.4940 26 E 4.9530 8.0335 118.5762 54.6601 32.4616 175.0081 27 R 4.4765 8.2915 117.9732 54.2570 34.2414 175.7143 28 I 4.0612 8.0144 120.9417 61.7437 37.5138 176.1480 29 I 4.7548 8.4427 114.0425 59.2057 39.7930 174.1089 30 E 4.8976 7.7447 122.4637 55.3975 33.2227 173.3235 31 I 5.0289 8.7273 124.6972 59.4188 41.8752 173.6898 32 A 5.3142 8.7794 128.1469 50.2642 23.1211 174.8611 33 T 5.3202 8.1854 108.4048 60.7604 72.9290 172.6495 34 I 5.0370 8.8437 122.4234 60.0555 42.1978 173.9883 35 V 5.0576 9.1742 126.9309 61.3742 33.8959 174.6366 36 T 5.1843 8.7429 117.2649 59.6999 72.6670 173.2551 37 D 5.2923 8.8646 121.8646 51.1395 40.8436 177.4223 38 K 4.0441 8.5695 117.6598 59.5201 32.4091 177.2571 39 N 4.7423 8.4653 116.0442 52.9335 38.3965 175.1025 40 L 3.8212 8.1386 116.3035 55.5656 39.6877 173.9328 41 N 4.6036 8.1867 117.1180 52.3276 39.0885 174.7498 42 I 4.0940 8.1835 124.9286 61.5046 37.7237 175.4270 43 L 4.2973 8.4633 126.4639 56.2683 41.8713 176.6592 44 A 4.5502 6.9415 118.9523 50.2149 22.9513 173.7574 45 E 4.5315 8.7623 119.8898 55.3074 31.1128 176.4850 46 G 2.7838 8.1828 112.6918 43.3300 0.0000 170.7937 47 P 4.2077 0.0000 0.0000 63.3000 32.1435 175.5346 48 V 4.5003 8.3243 124.6965 61.3647 32.4585 174.5889 49 L 4.8061 9.1350 128.4485 52.6430 45.1884 175.9139 50 A 4.6812 8.6595 126.1547 51.2831 18.7357 176.8296 51 V 3.8588 8.1212 123.5800 63.1876 32.6923 174.8542 52 H 4.9328 8.5714 128.3303 55.2257 30.6139 174.4646 53 Q 4.5130 8.0524 122.2680 53.5471 32.4470 174.9052 54 S 4.2323 8.5250 115.1563 58.8742 63.4000 175.2753 55 D 4.4213 8.5123 120.0444 57.1064 40.7257 178.9072 56 E 4.0307 8.0493 119.0483 59.0977 29.3906 178.7388 57 L 4.0383 7.5968 119.4467 57.9792 42.2192 178.7155 58 L 4.1294 7.4778 117.5804 57.5274 41.5646 178.6618 59 N 4.6711 7.6890 115.3254 54.5561 39.8989 176.7983 60 K 4.1637 7.3770 120.6730 54.1990 30.3304 175.2094 *62 N 4.5809 7.4721 119.8639 52.8922 40.5268 174.8728 63 D 4.4629 8.7559 123.5031 57.2939 40.7501 179.4736 64 W 3.9441 10.3146 120.0953 59.9896 29.0618 178.4264 65 C 4.2476 8.1018 117.5503 62.3973 27.5335 176.0174 66 Q 4.0146 8.3269 119.6989 58.5674 28.2260 178.8344 67 K 3.8666 7.7788 120.6979 59.5974 32.3220 179.0348 68 T 3.8099 7.6129 109.6489 65.3498 68.6849 176.3110 69 H 4.4122 8.3069 119.5768 58.1054 28.4827 177.8936 70 S 4.1097 7.9269 115.3720 61.2656 62.1034 176.0273 71 E 3.9737 7.9174 119.0614 59.3648 29.4278 178.5257 72 N 4.5202 8.2209 117.3004 55.0318 38.9348 176.1808 73 G 4.0879 7.8320 107.4525 45.1488 0.0000 174.8363 74 L 4.0416 8.5690 123.5222 58.1547 41.9292 179.2172 75 I 3.6704 7.7021 119.2214 64.2920 36.5894 177.4666 76 E 3.9606 8.3329 119.6818 59.7875 29.2644 179.0957 77 R 4.0729 7.6186 116.2006 58.8900 30.1149 178.9682 78 I 3.7334 7.8048 119.8478 64.2685 36.8909 178.4399 79 K 4.1394 8.4838 118.0817 58.0470 32.0757 178.1503 80 A 4.5247 7.1653 118.0523 50.9372 19.7686 176.9210 81 S 4.2958 7.3442 112.8521 58.1839 62.9998 174.0555 82 K 4.4482 8.3309 123.4776 55.9794 33.6447 176.5786 83 L 4.1418 8.0146 121.3492 54.6266 42.3029 177.1399 84 T 4.6557 8.1637 113.7099 60.5417 71.7694 175.9127 85 E 3.9610 8.5012 120.0307 59.5343 29.4536 179.4512 86 R 3.9066 8.0738 117.9958 59.3715 30.1566 178.0568 87 A 3.9698 8.2648 120.3877 55.1308 18.3765 179.2825 88 A 3.9195 7.9981 119.1171 55.3468 18.4954 179.4137 89 E 3.8496 8.6338 117.8930 59.5473 29.7411 178.6995 90 L 3.9926 8.3023 119.4080 58.2340 41.3741 179.5715 91 Q 3.9909 8.2054 119.0530 59.1473 28.9155 178.4405 92 T 4.0419 7.8922 117.0137 66.3649 68.5888 176.4749 93 L 3.6043 8.2537 121.3049 58.1538 41.4770 179.1017 94 D 4.4277 7.9994 117.2290 57.6374 41.2879 178.8598 95 F 4.4637 7.9679 120.0600 61.4781 39.3644 177.1042 96 L 3.5395 8.3027 118.7864 57.7085 41.1778 179.4503 97 K 4.5778 7.7366 118.7819 58.8620 32.4267 178.2947 98 K 4.3035 7.8936 116.0181 56.7827 32.1939 178.2596 99 W 5.0440 8.6450 117.9504 56.8192 32.1396 175.4340 100 V 4.0150 7.3511 115.7932 59.9485 34.2581 172.4181 101 P 4.4716 0.0000 0.0000 61.8425 32.0403 175.4993 102 K 2.4800 8.1287 120.9944 57.9698 32.0728 176.9140 103 G 3.8221 8.6715 113.9095 45.5683 0.0000 174.0031 104 A 4.2012 7.6057 122.2324 54.0950 19.6989 177.9784 105 S 4.6431 7.6220 110.4334 56.8410 64.0704 172.2014 106 P 4.9202 0.0000 0.0000 62.3515 32.6956 174.9785 107 I 3.7226 8.1983 120.7764 60.3433 39.2457 174.0777 108 C 5.1317 8.8342 126.5557 55.8734 31.1650 174.8084 109 G 4.3301 7.4986 108.7313 46.0149 0.0000 169.9685 110 N 5.0516 8.4255 118.6266 52.7824 39.9755 175.2561 111 S 3.8889 9.3326 119.4599 58.8527 60.5990 173.5393 112 I 4.5194 7.9836 113.6993 61.5020 37.7780 176.1484 113 A 4.0562 7.9473 123.6443 55.4355 16.6668 179.0000 114 Q 4.0273 7.8986 117.9850 59.6822 29.0245 178.6180 115 D 4.4857 7.9843 119.1017 57.3911 40.8810 178.5740 116 K 4.0029 8.0962 120.0107 59.3892 31.8744 178.8020 117 R 3.9323 8.0536 118.3585 59.4451 29.9337 178.9902 118 F 4.2169 8.1035 116.1081 60.3251 38.8079 177.5419 119 L 4.2603 7.7943 117.4190 58.3543 41.6432 179.5117 120 V 3.7021 7.9433 116.6095 65.6176 31.3306 177.0992 121 K 4.1246 7.3417 116.3279 57.3895 32.5985 177.0440 122 Y 4.7856 8.3749 116.1159 57.4102 39.2463 174.8984 *124 P 4.5249 0.0000 0.0000 62.8655 33.4363 178.3647 125 D 4.4140 8.3903 118.1729 57.0544 40.9790 177.7242 126 L 4.1186 8.2483 120.5814 58.2649 41.7101 179.0080 127 A 4.3454 8.0889 120.0880 55.2101 18.1541 178.8961 128 D 4.2174 7.9846 116.3739 56.8897 41.3315 177.8174 129 Y 3.9269 8.2152 119.9544 58.4944 38.7954 174.9939 130 F 5.0719 7.1202 118.4557 56.2988 39.0191 175.1935 131 H 4.1287 8.8050 125.2005 56.4630 30.1499 175.5610 132 Y 4.3911 7.5232 120.7289 59.4173 38.5648 176.4977 133 R 4.2775 7.1000 119.9771 56.4222 31.3949 175.3174 134 H 5.0373 8.7124 118.6530 54.3227 31.3415 174.8366 135 L 4.4368 9.3070 125.5925 53.1613 42.6749 172.8820 136 D 4.7983 8.1682 122.4710 52.4810 41.6869 176.3302 137 V 3.8035 8.8554 127.6626 66.3208 31.5302 177.7217 138 S 4.3961 8.7875 114.2807 60.8087 62.4931 176.4049 139 T 3.8309 7.9804 119.5377 66.7119 68.1925 176.3635 140 L 3.8834 7.8472 120.8068 57.2231 41.5457 179.3435 141 K 3.6678 7.7110 119.1611 59.6127 32.3415 178.4082 142 E 3.8342 8.1436 118.7172 59.4382 29.2986 179.5082 143 L 3.4019 7.3865 118.7736 57.1549 41.3387 179.2686 144 A 3.1642 8.2294 120.7988 54.9611 18.0934 179.4244 145 A 3.7290 8.1403 117.9939 54.8828 18.3314 179.0204 146 R 4.4554 7.1391 113.7030 56.3404 31.6214 177.4703 147 W 4.9910 7.9775 115.9630 55.8121 32.2418 175.5586 148 K 4.7645 9.1070 116.9275 54.7536 33.9791 174.0277 149 P 4.2843 0.0000 0.0000 65.8095 31.4378 178.0370 150 E 4.9478 8.5671 119.8529 58.7488 29.1283 178.6062 151 I 4.0380 7.5076 110.6048 62.6444 37.9347 177.3158 152 L 4.4372 8.4346 121.1153 56.2478 41.7791 177.5262 153 E 4.4964 7.9418 117.4954 56.7216 29.4283 177.5319 154 G 3.9953 7.8062 104.9081 44.6807 0.0000 173.3000 155 F 4.1110 7.8125 121.9440 56.7283 39.9072 174.1905 156 K 3.9872 7.5869 127.7874 53.9706 33.6452 176.4720 157 K 3.8313 7.5516 123.7687 56.2853 33.1452 175.5685 158 E 4.7185 7.7389 115.8184 54.2468 32.9410 175.8534 159 N 4.6630 8.3378 120.0017 54.3262 40.1171 172.2796 160 T 4.0595 8.3656 109.1436 62.1628 69.4395 172.1479 161 H 4.5172 8.8246 120.5800 56.3454 28.8554 175.9936 162 L 4.3324 7.4286 121.9845 53.0284 41.8260 176.2594 163 A 3.9760 8.4298 127.0350 55.5434 18.2545 178.9880 164 L 4.0023 7.8034 116.0974 57.4352 41.6019 179.0156 165 D 4.4060 8.5231 119.4911 56.7416 40.9719 178.4784 166 D 4.3170 7.8027 119.1225 57.5089 40.9812 178.6311 167 I 3.7555 8.0790 120.6602 64.4744 37.0007 178.7707 168 R 3.7775 7.6852 118.3829 58.8593 29.7380 178.7614 169 E 4.0726 7.8194 118.4847 58.9359 29.4854 179.0047 170 S 4.3786 7.8099 116.3354 61.0272 62.8048 176.9091 171 I 3.0558 7.4242 122.3479 63.9515 36.7347 178.3357 172 K 3.8167 7.9125 119.6972 59.6595 31.9075 178.8624 173 E 2.5971 8.6608 119.6164 58.6721 29.3827 178.6806 174 L 3.9644 7.5117 120.0844 58.1170 42.1355 178.6113 175 A 3.9626 8.2343 121.1796 55.4627 18.1566 179.0003 176 Y 3.8362 7.8505 118.0345 61.0537 38.8001 177.8999 177 Y 4.4673 7.5385 117.6698 60.8932 37.7480 178.0847 178 R 3.9755 8.2424 119.6392 59.6323 30.1900 177.6543 179 E 3.9501 7.8835 118.4506 58.2109 29.6063 177.5749 180 H 4.9763 8.0741 114.6108 55.0015 29.7273 175.2536 181 F 5.0873 8.1653 121.9125 57.9134 39.7995 174.5965 *183 K 4.0134 8.0286 120.2203 55.9479 31.6090 174.6378 184 L 4.1714 8.3511 125.9432 54.4970 42.4995 177.0554 185 D 4.7593 8.0984 122.2671 54.7747 40.7972 173.3710 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 4.24 0.00 3.58 3.68 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 3 H 7.57 4.43 0.00 2.30 2.00 0.00 5.70 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 S 9.02 4.63 0.00 4.11 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 0.00 6 F 8.63 4.66 0.00 2.97 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 7 D 8.15 4.90 0.00 2.91 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 8 K 8.99 4.03 0.00 1.87 1.92 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 9 Q 8.57 4.40 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 10 N 8.04 4.67 0.00 2.69 2.85 0.00 0.00 6.72 6.35 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 11 L 9.01 4.76 0.00 1.70 1.37 1.00 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 12 I 8.81 4.65 2.16 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 1.28 0.79 1.13 0.00 0.00 13 W 9.49 5.39 0.00 3.25 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 14 I 8.37 5.24 2.13 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.11 0.91 0.00 0.00 15 D 9.02 4.68 0.00 2.80 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 16 L 9.48 4.72 0.00 1.51 1.51 1.04 0.90 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 17 E 8.85 4.65 0.00 1.76 1.73 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 2.41 2.35 0.00 *19 T 8.51 4.22 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 1.25 0.00 0.00 20 G 7.23 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 0.00 0.00 0.00 21 L 8.73 4.55 0.00 1.71 1.82 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.02 4.72 0.00 2.73 2.57 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 23 P 0.00 3.46 0.00 1.58 0.49 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.52 0.00 24 E 8.06 4.15 0.00 2.03 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 2.30 2.35 0.00 25 K 8.11 4.65 0.00 1.72 1.80 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 26 E 8.03 4.95 0.00 2.40 2.14 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 2.52 2.63 0.00 27 R 8.29 4.48 0.00 1.67 1.53 0.00 3.05 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.43 0.00 28 I 8.01 4.06 1.86 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.60 0.98 0.00 0.00 29 I 8.44 4.75 1.78 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.44 0.84 0.00 0.00 30 E 7.74 4.90 0.00 1.99 1.73 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 2.26 2.35 0.00 31 I 8.73 5.03 1.89 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.36 0.91 0.00 0.00 32 A 8.78 5.31 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 33 T 8.19 5.32 4.43 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 1.37 0.00 0.00 34 I 8.84 5.04 1.91 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 1.06 0.51 0.82 0.00 0.00 35 V 9.17 5.06 1.68 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 1.09 0.00 0.00 0.91 0.00 0.00 36 T 8.74 5.18 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 1.12 0.00 0.00 37 D 8.86 5.29 0.00 2.94 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 38 K 8.57 4.04 0.00 1.90 2.18 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.49 7.81 39 N 8.47 4.74 0.00 2.85 2.88 0.00 0.00 7.07 7.54 0.00 0.00 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 L 8.14 3.82 0.00 1.84 1.81 0.98 1.02 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 41 N 8.19 4.60 0.00 3.10 2.74 0.00 0.00 7.04 7.49 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 42 I 8.18 4.09 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.35 0.82 0.00 0.00 43 L 8.46 4.30 0.00 1.13 0.96 1.04 0.73 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 44 A 6.94 4.55 0.48 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 45 E 8.76 4.53 0.00 1.77 1.78 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 2.17 2.23 0.00 46 G 8.18 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 0.00 0.00 0.00 47 P 0.00 4.21 0.00 2.05 2.14 0.00 2.89 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.12 0.00 48 V 8.32 4.50 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 0.78 0.00 0.00 0.91 0.00 0.00 49 L 9.13 4.81 0.00 1.52 1.49 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.66 4.68 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 51 V 8.12 3.86 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 0.91 0.00 0.00 0.93 0.00 0.00 52 H 8.57 4.93 0.00 3.38 3.29 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.05 4.51 0.00 1.93 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 54 S 8.52 4.23 0.00 3.99 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 55 D 8.51 4.42 0.00 2.71 2.75 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 56 E 8.05 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0.00 0.00 0.00 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 Q 8.33 4.01 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 67 K 7.78 3.87 0.00 1.65 1.79 0.00 1.39 0.00 0.00 1.43 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.33 7.81 68 T 7.61 3.81 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 1.22 0.00 0.00 69 H 8.31 4.41 0.00 3.26 3.36 0.00 5.61 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.93 4.11 0.00 3.93 3.99 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 0.00 0.00 0.00 71 E 7.92 3.97 0.00 2.15 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 2.47 2.32 0.00 72 N 8.22 4.52 0.00 2.87 2.97 0.00 0.00 7.29 8.51 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 73 G 7.83 4.09 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 0.00 0.00 0.00 74 L 8.57 4.04 0.00 1.76 1.83 0.94 0.86 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 75 I 7.70 3.67 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.39 0.90 0.00 0.00 76 E 8.33 3.96 0.00 2.02 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 0.00 2.39 2.43 0.00 77 R 7.62 4.07 0.00 2.08 1.95 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 78 I 7.80 3.73 1.93 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 1.48 1.07 0.90 0.00 0.00 79 K 8.48 4.14 0.00 1.86 1.88 0.00 1.68 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 80 A 7.17 4.52 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 81 S 7.34 4.30 0.00 4.08 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 82 K 8.33 4.45 0.00 1.73 1.76 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.35 7.81 83 L 8.01 4.14 0.00 1.71 1.59 0.92 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.16 4.66 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 1.22 0.00 0.00 85 E 8.50 3.96 0.00 2.12 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 2.40 2.41 0.00 86 R 8.07 3.91 0.00 1.95 1.96 0.00 3.35 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 87 A 8.26 3.97 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.92 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 89 E 8.63 3.85 0.00 2.11 2.17 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 2.34 2.41 0.00 90 L 8.30 3.99 0.00 1.90 1.74 0.94 0.92 0.00 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0.00 0.00 0.00 0.00 1.39 1.70 7.81 99 W 8.65 5.04 0.00 3.25 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 0.00 100 V 7.35 4.02 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 0.67 0.00 0.00 0.93 0.00 0.00 101 P 0.00 4.47 0.00 2.22 2.30 0.00 3.43 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 102 K 8.13 2.48 0.00 1.25 1.52 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.88 1.31 7.81 103 G 8.67 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 0.00 104 A 7.61 4.20 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 0.00 105 S 7.62 4.64 0.00 4.12 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 0.00 106 P 0.00 4.92 0.00 2.01 1.93 0.00 3.74 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 125 D 8.39 4.41 0.00 3.00 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 0.00 126 L 8.25 4.12 0.00 1.83 1.81 1.08 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.09 4.35 1.45 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 0.00 0.00 0.00 128 D 7.98 4.22 0.00 2.98 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 0.00 129 Y 8.22 3.93 0.00 2.98 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 0.00 130 F 7.12 5.07 0.00 3.25 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 0.00 131 H 8.81 4.13 0.00 3.38 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 7.52 4.39 0.00 3.07 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 0.00 133 R 7.10 4.28 0.00 1.74 1.79 0.00 2.92 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.03 0.00 134 H 8.71 5.04 0.00 2.95 3.14 0.00 5.66 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 0.00 135 L 9.31 4.44 0.00 1.44 1.41 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.17 4.80 0.00 2.77 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 0.00 137 V 8.86 3.80 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 1.30 0.00 0.00 1.38 0.00 0.00 138 S 8.79 4.40 0.00 4.05 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 0.00 139 T 7.98 3.83 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 1.15 0.00 0.00 140 L 7.85 3.88 0.00 1.66 1.27 1.07 0.77 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 0.00 141 K 7.71 3.67 0.00 2.13 1.99 0.00 1.80 0.00 0.00 1.99 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 142 E 8.14 3.83 0.00 2.11 1.87 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 2.46 2.45 0.00 143 L 7.39 3.40 0.00 1.67 1.10 0.68 -0.32 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 0.00 144 A 8.23 3.16 0.65 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 0.00 0.00 145 A 8.14 3.73 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 0.00 146 R 7.14 4.46 0.00 1.63 2.04 0.00 3.07 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 147 W 7.98 4.99 0.00 3.46 3.15 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 0.00 148 K 9.11 4.76 0.00 1.66 1.29 0.00 1.88 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.20 1.36 7.81 149 P 0.00 4.28 0.00 2.30 2.28 0.00 3.79 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 2.08 2.07 0.00 150 E 8.57 4.95 0.00 2.09 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 0.00 2.42 2.32 0.00 151 I 7.51 4.04 1.93 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 1.59 0.69 1.01 0.00 0.00 152 L 8.43 4.44 0.00 1.92 1.78 0.96 1.01 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 0.00 153 E 7.94 4.50 0.00 2.08 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 2.33 2.56 0.00 154 G 7.81 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 0.00 0.00 0.00 155 F 7.81 4.11 0.00 1.51 2.35 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 0.00 156 K 7.59 3.99 0.00 1.57 1.54 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.30 7.81 157 K 7.55 3.83 0.00 1.86 1.31 0.00 1.52 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.29 1.31 7.81 158 E 7.74 4.72 0.00 1.85 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 2.13 2.29 0.00 159 N 8.34 4.66 0.00 2.69 2.72 0.00 0.00 7.06 7.70 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 0.00 160 T 8.37 4.06 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 1.29 0.00 0.00 161 H 8.82 4.52 0.00 3.35 3.38 0.00 5.50 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 0.00 162 L 7.43 4.33 0.00 1.71 1.54 0.85 0.85 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 0.00 163 A 8.43 3.98 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.80 4.00 0.00 1.64 1.66 0.85 1.04 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 0.00 165 D 8.52 4.41 0.00 2.76 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 0.00 166 D 7.80 4.32 0.00 2.92 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 0.00 167 I 8.08 3.76 1.83 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 1.64 0.90 0.85 0.00 0.00 168 R 7.69 3.78 0.00 1.99 1.89 0.00 3.19 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 169 E 7.82 4.07 0.00 2.05 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 2.42 2.44 0.00 170 S 7.81 4.38 0.00 4.03 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 0.00 171 I 7.42 3.06 1.54 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.59 0.00 0.00 172 K 7.91 3.82 0.00 1.94 2.03 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.44 7.81 173 E 8.66 2.60 0.00 2.09 2.17 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 2.06 1.50 0.00 174 L 7.51 3.96 0.00 1.87 1.81 1.21 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.23 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 0.00 176 Y 7.85 3.84 0.00 2.70 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 0.00 0.00 0.00 177 Y 7.54 4.47 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 0.00 178 R 8.24 3.98 0.00 1.83 2.11 0.00 3.27 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 179 E 7.88 3.95 0.00 1.89 1.78 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 1.63 1.96 0.00 180 H 8.07 4.98 0.00 2.95 3.18 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 0.00 181 F 8.17 5.09 0.00 2.95 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 *183 K 8.03 4.01 0.00 1.78 1.78 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.46 7.81 184 L 8.35 4.17 0.00 1.65 1.70 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 185 D 8.10 4.76 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.