NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5140 8.3349 115.5603 57.5779 64.7442 173.6228 2 K 4.6422 8.2123 118.6926 53.9919 35.1341 174.1058 3 K 5.0289 10.5398 125.8323 55.1936 34.2933 174.9635 4 I 4.4140 8.8760 127.4011 59.2244 39.8105 175.2293 5 G 4.0829 8.7307 115.2018 44.6866 0.0000 172.8615 6 I 4.3867 8.8388 129.2456 60.5884 38.4972 175.2126 7 F 4.8819 9.4451 131.3148 56.3296 40.5615 174.6623 8 G 4.2321 8.2786 112.8828 44.9506 0.0000 170.8101 9 G 3.1533 7.6101 107.4114 46.1812 0.0000 173.7269 10 T 4.4748 7.8679 108.4811 61.3111 70.0056 174.9893 11 F 3.7642 7.0900 119.8219 58.9338 36.7216 175.3022 12 D 5.1456 7.6497 117.0657 51.7229 41.1769 171.7534 13 P 5.2342 0.0000 0.0000 59.1809 34.1799 174.2002 14 P 4.7389 0.0000 0.0000 62.8253 32.0930 175.4380 15 H 5.0806 8.4092 115.4331 53.0885 31.9598 173.7552 16 N 4.6541 9.2471 116.7583 56.4820 38.0335 177.9634 17 G 3.6557 8.0953 106.8558 47.9077 0.0000 175.4093 18 H 4.5663 8.1697 118.0759 58.9117 28.8806 177.8418 19 L 4.3004 8.2373 120.2955 57.8285 41.4759 179.0789 20 L 4.0431 8.5939 120.6075 58.3900 42.0731 178.3053 21 M 3.8964 8.3159 117.8538 58.8995 32.1412 177.9976 22 A 3.4249 7.8652 120.5988 55.0860 18.4243 179.1734 23 N 4.5925 8.4719 115.4470 56.8289 39.0970 176.9886 24 E 4.0437 8.4564 120.1957 59.4045 29.5734 179.4028 25 V 3.4437 7.8617 118.2347 65.9496 31.5032 177.2673 26 L 3.8409 7.8404 119.9431 58.6783 41.9539 178.4290 27 Y 4.0331 8.1472 118.6686 61.0272 38.6678 178.1236 28 Q 3.7210 8.6012 117.5119 57.9882 28.8021 177.5940 29 A 4.4082 8.3218 119.6847 50.2613 19.7487 176.8734 30 G 3.7672 7.3080 105.8129 46.9771 0.0000 173.8634 31 L 4.2670 7.7803 117.5680 53.7344 43.4547 176.9625 32 D 4.7563 8.8170 119.6587 56.1790 41.9900 177.1941 33 E 5.1439 7.8831 115.2974 54.8184 34.7593 174.3277 34 I 4.8933 9.1261 122.3068 59.4600 40.5321 174.5969 35 W 5.4184 9.3504 127.5925 55.1580 31.1529 175.3707 36 F 4.5586 9.7028 125.7178 57.1916 39.5382 174.6759 37 M 5.4071 8.9737 125.7116 52.0329 33.3362 172.6514 38 P 4.9504 0.0000 0.0000 62.6310 32.3565 176.1612 39 N 4.8826 8.9068 122.1518 52.2629 38.8958 174.7079 40 Q 4.1856 8.7947 122.2858 55.9169 29.7408 176.1516 41 I 3.8890 8.1677 125.0809 60.6577 36.8805 174.6408 42 P 4.2930 0.0000 0.0000 64.4927 32.0805 177.1062 *52 D 4.6746 7.6275 117.4400 54.0874 41.6211 177.7279 53 S 4.3038 8.6852 109.6774 60.9751 62.9115 175.6120 54 F 4.1836 8.3256 123.3074 61.8773 39.0625 176.8343 55 H 4.3161 8.0956 116.3603 58.3798 28.6416 177.8225 56 R 3.9488 7.6777 118.5843 59.2521 29.8471 179.3292 57 V 3.4750 7.7735 117.9690 65.9928 31.5152 178.0119 58 E 3.6240 7.5768 118.0320 59.4341 29.1514 179.2840 59 M 3.6984 7.5802 118.7405 57.9611 31.9546 178.7872 60 L 3.7073 7.7223 119.1342 57.5995 41.5015 179.5077 61 K 3.7380 7.8454 118.3712 59.5559 31.7742 179.3465 62 L 3.8975 7.4640 117.4381 57.6802 41.5917 179.0843 63 A 4.1164 8.1754 120.2015 54.5945 18.6914 178.8352 64 I 4.1795 7.5580 109.2880 61.3968 37.9654 177.5203 65 Q 3.9355 7.4455 120.1788 59.3949 28.6500 177.9683 66 S 4.1010 7.9757 112.2010 59.4751 63.0586 172.7536 67 N 4.6168 7.7962 119.3507 51.0157 39.5019 173.2726 68 P 4.3175 0.0000 0.0000 65.3316 31.7236 177.5412 69 S 4.5643 7.8006 112.7889 59.4257 64.0607 173.5374 70 F 5.7735 7.9182 119.7223 56.1999 40.0635 175.5104 71 K 4.7303 9.5298 122.3282 54.4580 36.4551 174.5300 72 L 4.8697 8.1939 123.4984 53.4630 44.0503 175.1217 73 E 4.2900 9.1201 127.1161 54.3045 32.1067 175.4471 74 L 4.6022 8.2385 126.7974 54.4268 42.2710 178.9100 75 V 4.3030 7.9409 121.9236 64.3496 31.0742 178.0516 76 E 4.3189 8.0925 117.6507 58.3380 29.5816 177.4863 77 M 4.2737 8.0596 118.1057 56.8570 32.8092 176.8336 78 E 4.0675 7.8104 119.7724 55.6698 30.1612 176.3918 79 R 4.0371 8.5717 122.7926 58.1791 30.3260 175.7494 80 E 3.8167 9.0307 122.9594 57.2733 27.0341 174.8467 81 G 3.9127 8.2770 108.1260 44.1747 0.0000 172.5561 82 P 4.6449 0.0000 0.0000 62.4978 32.1317 176.3893 83 S 4.5132 8.4363 111.3905 58.2851 65.2102 174.6803 84 Y 4.2539 7.9437 118.9216 57.1170 39.5354 175.8528 85 T 3.8059 8.7197 122.0277 66.9632 68.5555 175.9389 86 F 3.9557 8.3510 121.5031 61.5344 39.3415 176.7041 87 D 4.3674 8.3053 117.6730 57.7111 40.7711 178.7477 88 T 3.8674 8.2247 116.4612 66.7574 68.4505 176.9412 89 V 3.6008 8.1968 120.4236 65.9940 31.6322 178.1394 90 S 3.9144 7.9601 115.0920 61.4761 62.6328 176.5219 91 L 3.9912 7.8886 122.9575 58.1307 41.8483 179.0215 92 L 4.2839 8.1388 119.0192 57.8315 41.3460 179.6438 93 K 4.0872 8.3150 118.1177 59.4026 31.9918 178.8954 94 Q 4.0999 7.7409 118.9353 59.1404 29.0791 178.0306 95 R 4.0300 8.0432 117.9317 57.7041 31.6915 176.2957 96 Y 4.8633 7.9158 115.5866 55.8707 38.3813 174.7082 97 P 4.3638 0.0000 0.0000 65.2668 32.1028 177.7028 98 N 4.7858 8.1728 112.7176 53.0928 38.8923 173.9220 99 D 5.0301 7.8304 118.1348 52.6219 44.1059 175.6100 100 Q 4.3866 9.0229 122.2940 54.7469 30.3453 174.4775 101 L 4.9398 8.2286 126.5673 53.7583 43.5751 176.2396 102 F 4.9508 9.2370 120.1989 55.6296 43.5814 173.5428 103 F 4.7525 8.9245 124.5499 56.3534 41.4569 174.1391 104 I 4.6192 7.4381 127.9107 60.4778 38.0179 175.2287 105 I 4.6690 8.5542 119.4365 59.0681 42.0485 174.2416 106 G 4.1434 8.7006 109.1558 45.8709 0.0000 175.0604 107 A 4.3738 9.3681 127.6223 54.4871 18.9529 178.2126 108 D 4.6419 8.1126 113.8038 53.6940 40.5176 177.8073 109 M 4.0201 7.9882 120.8192 58.5710 32.2489 176.8645 110 I 4.3807 7.5749 108.7140 60.3057 38.3208 176.5072 111 E 3.8226 7.7732 123.0502 59.2933 29.2987 177.0666 112 Y 4.7413 7.3175 112.8597 57.6407 38.6044 175.4303 113 L 4.4364 7.6506 120.6889 53.4893 42.5600 175.0354 114 P 4.6443 0.0000 0.0000 60.8710 32.8619 175.4583 115 K 3.8142 8.3901 119.0397 57.0922 32.3238 176.2081 116 W 5.1212 8.6369 134.6501 55.5415 33.6943 174.9379 117 Y 4.5268 8.7502 124.8606 60.9971 37.1375 178.4283 118 K 3.7334 7.7250 119.2979 58.7773 31.9487 178.9567 119 L 3.6027 7.0629 120.2629 57.9302 42.2014 178.2289 120 D 4.3527 8.1450 118.8739 57.4901 40.6491 178.5153 121 E 3.9197 8.4023 119.9319 59.2551 29.5275 178.7130 122 L 4.0781 7.4335 120.1008 58.1137 41.9139 178.9310 123 L 3.7429 7.6708 118.3262 57.2695 41.5616 178.5749 124 N 4.5526 7.9935 115.1743 54.9973 38.7056 176.8771 125 L 4.1051 7.3687 121.9430 56.9379 42.5694 176.5876 126 I 4.3997 6.7389 114.4283 59.1270 41.3235 173.5392 127 Q 4.1977 8.2814 127.3278 56.1274 29.9227 174.8551 128 F 4.9883 9.1222 125.6300 57.0127 41.1729 174.5784 129 I 4.8061 9.0288 123.5594 59.4657 40.1100 174.6383 130 G 4.3196 9.1368 115.3250 44.5580 0.0000 172.7854 131 V 4.7525 8.8589 127.2934 62.3763 33.2536 174.9527 132 K 4.9744 8.8826 125.0472 55.7928 36.3904 175.2151 133 R 4.7731 8.4831 119.3479 54.4339 31.0462 175.1744 134 P 4.1858 0.0000 0.0000 64.1908 32.2197 178.4061 135 G 3.6338 8.6208 110.5602 45.8083 0.0000 170.0266 136 F 3.5928 8.8289 125.0162 58.7012 39.2081 175.8441 137 H 4.1854 8.0373 123.7195 54.7923 29.6684 175.3551 138 V 4.0067 7.4255 120.4171 60.7681 32.5519 175.2726 139 E 4.1445 8.4805 126.8065 56.8014 30.1895 176.2770 140 T 4.3543 8.7920 115.2056 64.0055 69.8170 173.4767 141 P 4.1330 0.0000 0.0000 62.9728 29.3673 173.6228 142 Y 4.9265 8.0175 113.0537 56.6459 43.6035 174.1143 143 P 3.9154 0.0000 0.0000 63.7465 30.7073 175.1405 144 L 3.5281 8.7360 122.0248 55.3032 42.2472 173.7731 145 L 4.6889 8.2168 122.0176 53.2047 43.9696 175.6381 146 F 5.4261 8.7860 120.3436 55.8432 42.0263 175.0327 147 A 4.7643 8.9913 122.5913 50.4126 21.9696 174.9524 148 D 5.1451 9.2473 123.8139 54.0087 41.8596 176.4832 149 V 4.4845 8.9781 123.2782 60.1410 34.6875 173.2367 150 P 4.3709 0.0000 0.0000 62.6278 31.8273 175.6047 151 E 4.0552 8.6523 123.1901 56.0926 29.9950 176.1059 152 F 4.9174 8.5332 127.5175 56.3560 40.9984 174.6959 153 E 4.3900 8.8386 133.0540 55.5909 27.5423 176.5112 154 V 4.3124 6.9043 118.7274 59.1577 35.0121 176.1878 155 S 4.5574 7.7908 115.7543 56.0721 67.4310 175.3146 156 S 4.1963 8.5566 117.8209 61.6667 62.5200 177.2117 157 T 3.8000 7.7245 118.2893 66.7407 68.2776 176.0739 158 M 3.9567 7.7690 119.7146 58.6849 32.1640 178.1398 159 I 3.5205 7.5498 119.7600 64.5098 37.2829 178.4907 160 R 3.8335 7.9033 118.6502 59.5049 29.8340 179.0490 161 E 4.0116 8.2575 118.1165 59.3970 29.3403 179.7338 162 R 3.8775 8.0830 118.4233 59.1667 29.9583 179.0437 163 F 4.2489 8.3121 117.8432 60.3506 38.6732 177.6864 164 K 4.0718 8.2240 118.4950 59.5602 32.2214 178.4564 165 S 4.3988 8.2818 112.4469 58.2136 62.9875 174.5337 166 K 3.9629 7.5210 120.1732 57.2601 29.6923 176.2556 167 K 4.3401 8.0965 117.9562 54.7430 32.9855 175.4483 168 P 4.3498 0.0000 0.0000 63.2332 31.9246 176.5874 169 T 4.4309 8.0578 109.1056 60.9457 69.6420 173.4288 170 D 4.2854 7.8555 121.9447 56.2900 41.0714 176.4092 171 Y 3.8808 8.1132 118.7357 58.5272 36.0701 169.8754 172 L 4.6709 8.0271 120.2809 55.0897 43.5300 176.4586 173 I 5.0038 7.3009 109.0757 57.2468 40.8677 173.7396 174 P 4.4289 0.0000 0.0000 62.5519 33.0435 177.2000 175 D 4.3927 8.7695 121.6517 57.8772 40.8634 179.5570 176 K 3.9761 8.1180 118.0982 59.3959 31.9010 179.4883 177 V 3.6027 7.6381 118.0855 65.8327 31.6148 177.7034 178 K 4.1165 8.1298 119.4786 59.5399 32.0432 178.4114 179 K 4.1878 8.4246 121.5159 59.2178 32.0496 178.0999 180 Y 3.9543 8.0559 119.7154 60.5041 38.6083 178.0004 181 V 3.5157 8.1841 119.7763 65.9691 31.1382 177.9072 182 E 3.9152 8.2952 117.2478 59.2361 29.3062 178.8500 183 E 4.0162 8.0368 118.9682 58.3618 29.5557 177.8322 184 N 4.6246 7.5556 113.8365 51.3312 39.4797 175.0002 185 G 3.8923 7.1977 107.2408 46.3837 0.0000 173.7119 186 L 4.0114 7.6950 117.7732 54.0818 43.0639 177.0932 187 Y 3.9788 7.7602 114.5133 59.3475 35.4988 170.6281 188 E 4.6740 7.5840 116.1326 56.1672 29.9728 176.2392 189 S 4.2858 8.2841 119.2535 58.8497 62.3413 173.7790 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 1 S 8.33 4.51 0.00 3.93 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 2 K 8.21 4.64 0.00 2.02 1.66 0.00 1.83 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 3 K 10.54 5.03 0.00 1.71 1.69 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.45 7.81 4 I 8.88 4.41 1.18 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.20 -1.07 0.00 0.00 5 G 8.73 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.84 4.39 1.92 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 1.20 0.94 1.01 0.00 0.00 7 F 9.45 4.88 0.00 2.58 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 8 G 8.28 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 0.00 0.00 0.00 0.00 9 G 7.61 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 0.00 0.00 0.00 10 T 7.87 4.47 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 1.15 0.00 0.00 11 F 7.09 3.76 0.00 3.25 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 12 D 7.65 5.15 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 5.23 0.00 2.35 2.30 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 14 P 0.00 4.74 0.00 2.10 2.07 0.00 3.71 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 1.95 2.25 0.00 15 H 8.41 5.08 0.00 3.45 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 9.25 4.65 0.00 3.01 3.30 0.00 0.00 7.34 8.02 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 17 G 8.10 3.66 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 0.00 0.00 0.00 18 H 8.17 4.57 0.00 3.69 3.89 0.00 5.65 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 19 L 8.24 4.30 0.00 2.05 2.03 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.59 4.04 0.00 2.01 2.12 0.98 0.87 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 21 M 8.32 3.90 0.00 1.90 2.18 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 22 A 7.87 3.42 0.80 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 0.00 0.00 23 N 8.47 4.59 0.00 3.27 3.05 0.00 0.00 7.24 7.12 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 24 E 8.46 4.04 0.00 2.20 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 2.57 2.50 0.00 25 V 7.86 3.44 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 0.80 0.00 0.00 0.78 0.00 0.00 26 L 7.84 3.84 0.00 2.01 2.08 1.03 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.15 4.03 0.00 3.13 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 28 Q 8.60 3.72 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.72 0.00 29 A 8.32 4.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.31 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.78 4.27 0.00 1.47 1.55 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.82 4.76 0.00 2.63 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 33 E 7.88 5.14 0.00 1.97 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 2.45 2.44 0.00 34 I 9.13 4.89 1.92 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.24 0.53 0.00 0.00 35 W 9.35 5.42 0.00 3.24 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 36 F 9.70 4.56 0.00 2.59 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 0.00 0.00 0.00 0.00 37 M 8.97 5.41 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.40 0.00 38 P 0.00 4.95 0.00 2.02 2.08 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 39 N 8.91 4.88 0.00 2.76 2.90 0.00 0.00 6.30 6.98 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 40 Q 8.79 4.19 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 41 I 8.17 3.89 1.88 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 1.43 0.94 0.92 0.00 0.00 42 P 0.00 4.29 0.00 2.03 2.08 0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 *52 D 7.63 4.67 0.00 2.80 2.47 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 0.00 0.00 0.00 0.00 53 S 8.69 4.30 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.32 1.58 7.81 62 L 7.46 3.90 0.00 1.67 1.66 0.82 0.89 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 63 A 8.18 4.12 1.24 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 0.00 0.00 64 I 7.56 4.18 1.85 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 1.53 0.70 -0.02 0.00 0.00 65 Q 7.45 3.94 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 66 S 7.98 4.10 0.00 3.80 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.80 4.62 0.00 2.21 1.65 0.00 0.00 7.03 7.12 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 68 P 0.00 4.32 0.00 2.04 2.07 0.00 3.58 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 1.97 2.05 0.00 69 S 7.80 4.56 0.00 3.72 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 70 F 7.92 5.77 0.00 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0.00 0.00 0.00 0.00 1.97 2.48 0.00 112 Y 7.32 4.74 0.00 3.11 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 0.00 113 L 7.65 4.44 0.00 1.84 1.82 1.08 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.64 0.00 2.12 2.05 0.00 3.82 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 115 K 8.39 3.81 0.00 1.68 1.72 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.18 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.39 1.35 7.81 116 W 8.64 5.12 0.00 3.52 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 0.00 117 Y 8.75 4.53 0.00 3.11 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 0.00 118 K 7.72 3.73 0.00 0.79 1.03 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.55 0.00 0.00 0.00 0.00 1.26 1.35 7.81 119 L 7.06 3.60 0.00 1.40 1.72 0.50 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 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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 0.00 129 I 9.03 4.81 1.80 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 1.18 1.08 0.89 0.00 0.00 130 G 9.14 4.32 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 0.00 131 V 8.86 4.75 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 0.86 0.00 0.00 0.86 0.00 0.00 132 K 8.88 4.97 0.00 2.00 2.02 0.00 1.31 0.00 0.00 1.60 0.00 0.00 2.37 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.47 1.50 7.81 133 R 8.48 4.77 0.00 1.76 1.92 0.00 3.20 0.00 0.00 3.99 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 134 P 0.00 4.19 0.00 2.06 2.03 0.00 3.78 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 2.05 2.13 0.00 135 G 8.62 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 3.59 0.00 3.10 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 H 8.04 4.19 0.00 2.87 3.00 0.00 5.89 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 0.00 138 V 7.43 4.01 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.88 0.00 0.00 139 E 8.48 4.14 0.00 1.96 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 2.23 2.22 0.00 140 T 8.79 4.35 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 1.53 0.00 0.00 141 P 0.00 4.13 0.00 1.80 2.06 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 142 Y 8.02 4.93 0.00 3.06 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 0.00 143 P 0.00 3.92 0.00 2.05 1.91 0.00 3.95 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 144 L 8.74 3.53 0.00 1.36 0.77 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.22 4.69 0.00 1.57 1.55 1.06 0.82 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 0.00 146 F 8.79 5.43 0.00 2.91 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 0.00 147 A 8.99 4.76 1.18 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 0.00 148 D 9.25 5.15 0.00 2.60 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 0.00 149 V 8.98 4.48 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 1.02 0.00 0.00 0.99 0.00 0.00 150 P 0.00 4.37 0.00 2.08 1.97 0.00 3.76 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 151 E 8.65 4.06 0.00 1.95 1.89 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 2.35 2.33 0.00 152 F 8.53 4.92 0.00 2.91 2.86 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 0.00 0.00 0.00 153 E 8.84 4.39 0.00 2.02 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 2.28 2.29 0.00 154 V 6.90 4.31 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.47 0.00 0.00 155 S 7.79 4.56 0.00 3.95 3.87 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 0.00 156 S 8.56 4.20 0.00 3.87 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 7.72 3.80 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 1.19 0.00 0.00 158 M 7.77 3.96 0.00 2.02 1.99 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 2.51 2.47 0.00 159 I 7.55 3.52 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.67 0.96 0.00 0.00 160 R 7.90 3.83 0.00 1.91 1.95 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.69 0.00 161 E 8.26 4.01 0.00 2.12 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 2.62 0.00 162 R 8.08 3.88 0.00 1.75 1.75 0.00 2.99 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.81 0.00 163 F 8.31 4.25 0.00 3.33 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 0.00 164 K 8.22 4.07 0.00 1.98 2.06 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.70 7.81 165 S 8.28 4.40 0.00 3.86 3.89 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 0.00 166 K 7.52 3.96 0.00 1.89 1.97 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.57 7.81 167 K 8.10 4.34 0.00 1.63 1.68 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.38 7.81 168 P 0.00 4.35 0.00 2.02 2.10 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 169 T 8.06 4.43 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 0.42 0.00 0.00 170 D 7.86 4.29 0.00 2.44 1.71 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 0.00 171 Y 8.11 3.88 0.00 3.23 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 0.00 172 L 8.03 4.67 0.00 1.84 1.59 0.88 0.60 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 0.00 173 I 7.30 5.00 1.98 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 1.61 0.73 0.98 0.00 0.00 174 P 0.00 4.43 0.00 2.22 2.05 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.41 0.00 175 D 8.77 4.39 0.00 2.77 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 0.00 176 K 8.12 3.98 0.00 1.80 1.87 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.51 7.81 177 V 7.64 3.60 2.32 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 1.23 0.00 0.00 0.94 0.00 0.00 178 K 8.13 4.12 0.00 2.06 2.07 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.57 1.72 7.81 179 K 8.42 4.19 0.00 1.92 2.11 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.30 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.39 7.81 180 Y 8.06 3.95 0.00 3.20 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 0.00 181 V 8.18 3.52 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 0.23 0.00 0.00 0.96 0.00 0.00 182 E 8.30 3.92 0.00 2.24 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 2.54 2.41 0.00 183 E 8.04 4.02 0.00 1.76 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 2.29 2.54 0.00 184 N 7.56 4.62 0.00 2.18 2.47 0.00 0.00 7.11 7.67 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 0.00 185 G 7.20 3.89 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 0.00 0.00 0.00 186 L 7.69 4.01 0.00 1.06 0.58 0.65 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 187 Y 7.76 3.98 0.00 3.06 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 0.00 188 E 7.58 4.67 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 189 S 8.28 4.29 0.00 3.87 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 * Residues marked with a * may have inaccurate shift predictions.