NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3000 8.2649 123.5797 50.9700 19.0069 176.3665 2 P 4.4612 0.0000 0.0000 61.9633 32.1860 174.4469 3 S 4.9111 10.1128 120.0312 56.6525 67.3586 171.4665 4 Y 5.2469 8.5316 115.9130 56.6041 40.6699 175.6823 5 R 4.9407 9.2402 122.0461 54.4088 34.8219 174.5991 6 V 4.8275 8.3410 120.2587 60.2669 34.2747 175.2566 7 K 4.3840 8.4197 120.7228 55.1705 36.6206 175.9657 8 R 5.2535 8.8340 126.0686 55.6777 28.6680 174.5565 9 M 4.9525 8.1822 122.2221 53.2765 36.0113 173.3781 10 D 4.4080 8.8412 123.3912 54.7425 41.7449 176.7996 11 I 3.4332 8.3282 125.3579 61.9009 38.4005 176.2151 12 A 4.2390 8.3148 122.1156 54.5647 18.2459 177.9211 13 K 4.6512 7.4306 115.9010 55.5210 33.0169 176.3827 14 N 4.8306 8.2118 114.6889 52.9729 37.5566 173.5582 15 D 4.9266 8.9370 117.3978 54.0693 40.0206 175.4525 16 E 4.8638 8.3507 116.7499 53.7859 32.3810 176.8045 17 E 4.1084 8.4906 118.7024 58.6817 29.6903 176.6169 18 C 3.9640 7.0847 111.4334 56.8650 32.9446 173.6499 19 V 4.5575 7.5119 118.1431 59.8518 34.3833 174.4440 20 V 4.5249 8.5100 123.4262 61.5934 32.5791 174.3621 21 N 4.8115 8.9554 126.7761 52.0936 40.7554 174.4599 22 A 4.7560 8.6163 128.3113 51.4821 16.8897 176.3313 23 A 4.6955 8.7592 124.7277 50.2863 22.1066 176.1877 24 N 5.3307 8.4685 116.1614 50.6108 39.8073 173.3374 25 P 5.3321 0.0000 0.0000 61.2372 29.6125 175.6387 *27 G 4.2877 7.6787 112.7377 46.2384 0.0000 169.4886 28 L 5.7444 8.5234 120.8318 55.3913 44.3743 174.2758 *34 C 4.7020 8.4629 116.8587 59.2322 32.7857 174.4049 35 K 4.4145 8.0948 116.2218 57.4388 34.6446 177.9988 36 A 3.9276 8.0605 121.2023 54.5377 18.2569 179.4528 37 V 3.9044 7.8856 116.2868 66.5417 31.5254 177.0633 38 Y 4.1892 8.1834 117.3257 61.0483 38.4727 177.8695 39 K 3.6891 7.3993 117.5509 59.7284 32.2861 178.9258 40 K 3.5931 7.5642 118.7447 57.5184 33.3471 177.0320 41 W 5.1466 8.1349 118.2339 54.3516 29.7705 174.0938 42 P 4.0542 0.0000 0.0000 65.6820 31.5875 179.4127 43 E 4.1417 8.3012 116.6259 59.2890 29.7561 178.4889 44 S 4.3479 8.2234 113.2772 60.9259 63.1975 174.9970 45 F 4.3451 8.1853 121.9627 57.5691 38.7844 174.7959 46 K 4.1867 7.8381 121.3781 55.1847 31.3608 175.1913 47 N 4.2506 8.4602 124.2892 54.4580 35.1621 175.8200 48 S 4.3471 7.6671 110.4210 57.9751 63.4190 172.6963 49 A 4.0677 6.9718 124.4031 53.4275 18.2871 177.5262 50 T 4.5539 8.0896 116.1046 60.5485 70.2258 171.6618 51 P 4.6569 0.0000 0.0000 61.9496 32.1389 176.1640 52 V 3.6990 8.1104 120.1385 63.6324 31.4478 176.6502 53 G 4.3759 9.6121 109.9887 46.8457 0.0000 172.9933 54 T 4.7620 7.5974 107.8105 59.6974 71.9387 172.1622 55 A 5.9400 9.8337 123.7953 48.9811 23.1566 175.8521 *58 V 3.7917 8.1024 117.2006 63.1724 32.5568 174.7001 59 M 4.6543 8.6461 127.4842 55.1954 33.1696 176.4084 60 C 4.7838 9.3156 122.1562 56.8865 33.1686 175.1095 61 G 3.8810 9.2694 117.8903 45.2407 0.0000 171.6153 62 T 4.4196 9.0214 116.0185 61.5019 69.5625 171.7649 63 Y 4.3222 7.8627 122.9590 57.1254 39.5894 172.0975 64 P 4.4884 0.0000 0.0000 62.0269 33.0103 175.2944 65 V 4.0179 7.8122 123.9451 61.1179 33.2832 175.6277 66 I 4.0006 8.3896 131.3129 60.4546 37.6891 175.2133 67 H 4.7980 8.7130 125.1413 55.4957 29.2491 173.7132 68 A 5.0066 8.9377 126.3477 50.0997 21.3380 175.6057 69 V 4.5990 8.0983 124.0308 60.6177 32.2531 175.6743 70 G 4.0576 8.5345 117.0172 43.7728 0.0000 170.2976 71 P 3.7399 0.0000 0.0000 62.0302 31.9516 175.7181 72 N 4.2984 7.9462 119.3010 52.6352 38.6065 175.4205 73 F 4.5351 9.0454 125.3257 58.5286 39.2860 177.0651 74 S 4.3812 8.3582 116.0236 60.2415 63.1390 174.7787 75 N 4.7316 8.1334 116.3209 52.9744 39.7117 174.1290 76 Y 4.5206 7.6105 115.1703 55.5811 40.8094 176.1279 77 S 4.5367 8.3275 117.3940 57.9070 65.5030 175.0731 78 E 4.2238 8.8809 122.1795 59.9117 29.0696 179.5835 79 S 4.1081 8.1194 112.2869 61.7044 62.6327 175.9870 80 E 4.1471 8.4015 121.3476 59.1904 29.2436 179.5077 81 G 2.9957 8.4307 106.1030 47.6851 0.0000 175.0991 82 D 4.5569 8.2667 120.6026 57.1779 41.2242 178.4143 83 R 3.9206 7.7331 119.2618 59.4476 30.0852 178.3087 84 E 3.9631 8.1971 118.3488 58.6707 29.4221 178.9702 85 L 3.7963 8.2517 120.8808 57.9359 42.1841 178.7974 86 A 4.0314 7.9672 120.4496 55.1653 18.3498 179.2832 87 A 3.9222 7.9730 119.0354 55.5956 18.5344 179.1735 88 A 3.8347 8.1536 119.1066 55.9369 18.2392 179.2930 89 Y 4.2602 8.1965 114.1313 61.1672 37.9182 179.4312 90 R 3.9892 8.2163 119.6689 59.4651 30.2482 178.1783 91 E 3.9354 8.2062 118.4672 59.4222 29.4157 179.3746 92 V 3.5528 7.7997 117.7265 66.1223 31.4948 177.9659 93 A 3.9964 7.6911 120.2225 54.9937 18.2617 179.4623 94 K 3.8519 8.3501 118.4164 59.6451 32.2796 178.6361 95 E 3.8908 8.7191 119.0882 59.6607 29.2351 179.7021 96 V 3.5944 8.0807 116.8450 66.1807 31.9509 177.8236 97 T 3.9897 8.0783 115.6202 66.6019 68.0843 176.5213 98 R 3.8729 7.6592 119.2414 59.5301 29.9712 178.4045 99 L 4.1183 8.5410 118.7813 55.4179 41.3290 178.8471 100 G 3.9405 7.7027 105.1785 45.7512 0.0000 174.2651 101 V 3.9497 7.1304 111.9529 61.3703 32.2774 175.9591 102 N 4.6927 9.3990 118.8949 54.7231 39.4092 174.8462 103 S 5.2940 7.6391 110.9247 56.1898 66.1733 172.5633 *105 A 4.6019 8.5302 120.1867 52.5338 20.1696 176.0495 106 I 4.9563 9.0078 122.8701 58.8619 41.3168 173.1115 107 P 5.3580 0.0000 0.0000 60.7724 33.5028 175.8845 108 L 4.4148 8.5721 120.4401 53.9714 40.8269 177.2404 109 L 3.9965 8.2892 124.4907 56.1509 41.9578 177.6238 110 S 4.1740 8.8737 116.2641 60.2423 60.0517 172.3281 111 T 4.8220 8.4117 108.0772 61.2595 71.6893 174.1452 112 G 3.7164 8.5077 110.5808 46.0833 0.0000 175.2058 113 V 4.0755 9.1295 120.5743 62.8851 32.4889 176.7952 114 Y 5.0866 7.9920 116.9000 58.3256 38.6028 176.5885 115 S 4.8202 8.3667 113.9156 57.1777 63.5360 174.3106 116 G 4.1486 9.3550 107.9264 46.8426 0.0000 173.4455 117 G 3.8657 8.6429 102.6430 45.5636 0.0000 174.2237 118 K 4.4848 7.7601 117.8562 54.3771 35.4604 174.9609 119 D 4.7294 8.6171 123.0081 54.2861 40.9013 175.8474 120 R 4.4846 8.5485 125.3708 55.8564 31.0056 177.7513 121 L 3.3561 7.5456 120.7376 58.6744 41.5478 179.0353 122 T 3.6618 7.4880 114.4765 66.6353 68.6124 176.2412 123 Q 3.8553 7.8035 120.6415 59.1791 29.1471 178.0017 124 S 4.2600 8.7014 115.0020 61.3602 62.4398 175.5293 125 L 3.4327 8.1146 123.3501 58.1593 41.6692 178.5355 126 N 4.2341 8.1226 116.3436 56.9697 38.6185 177.1943 127 H 4.1721 7.8940 116.8148 58.3421 28.6946 177.7038 128 L 2.6505 7.1523 122.3918 57.6550 41.7910 178.7679 129 F 4.3818 7.4990 117.7316 61.1798 38.6834 177.5648 130 T 3.8858 7.7721 113.3672 66.8554 68.1236 176.1448 131 A 4.1778 7.8106 121.6685 55.6270 18.5199 179.6444 132 M 3.8754 8.3524 116.9495 58.0812 31.8760 178.3572 133 D 4.5944 8.2979 119.1389 56.6288 41.1652 177.2223 134 S 4.8278 7.5077 113.2121 58.0201 63.7355 174.2863 135 T 4.5459 7.9824 111.1230 61.1974 71.4679 174.0897 136 D 4.6281 8.6141 128.8800 52.5850 39.1919 176.1600 137 A 4.8109 7.2531 118.7508 50.7306 22.9951 177.1852 138 D 4.4219 8.7401 122.2178 54.7276 42.2226 175.5713 139 V 4.5844 8.2687 123.5170 61.0779 34.0505 174.3407 140 V 4.8100 8.4793 127.2127 61.2466 34.3326 173.8091 141 I 4.9541 9.1957 130.3667 60.3967 38.4323 174.2698 142 Y 5.2068 9.1966 125.6462 56.6200 40.3950 174.6224 143 C 4.8277 8.5963 115.0254 57.8756 32.8041 174.7583 144 R 4.3097 8.6595 118.8372 57.2727 31.7561 177.0508 145 D 4.3969 7.7745 117.9908 53.3554 42.3435 176.0352 146 K 3.8829 8.6914 128.1590 59.9953 31.9083 178.3011 147 E 4.0578 8.3958 118.1854 59.5884 29.2560 179.5168 148 W 4.3636 7.9418 119.2389 59.4039 29.2594 178.0785 149 E 4.0137 8.2728 119.3694 59.3819 29.0102 178.6361 150 K 3.9369 8.1335 119.4429 59.4369 32.4567 178.6242 151 K 3.9991 7.8707 117.6201 59.7220 32.0418 179.2204 152 I 3.6217 8.1095 120.1691 64.6449 37.0707 177.8380 153 S 4.0467 8.0597 113.5499 61.6430 62.1950 175.7314 154 E 3.8926 8.2305 120.4445 59.8910 29.2014 179.6909 155 A 4.0510 7.6650 118.3906 55.2393 18.7966 179.3354 156 I 3.7845 7.5986 117.9322 63.8625 37.0611 177.4423 157 Q 4.4200 7.7665 116.3850 56.1347 28.7748 175.8620 158 M 4.4412 7.3408 118.2692 55.0471 33.0443 175.9023 159 R 4.1149 7.3636 118.2570 57.0205 29.6790 174.9512 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 A 8.26 4.30 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 2 P 0.00 4.46 0.00 1.93 1.92 0.00 3.58 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.10 0.00 3 S 10.11 4.91 0.00 3.85 3.96 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 4 Y 8.53 5.25 0.00 2.84 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 5 R 9.24 4.94 0.00 1.70 1.76 0.00 3.09 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 6 V 8.34 4.83 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 0.79 0.00 0.00 0.95 0.00 0.00 7 K 8.42 4.38 0.00 1.15 1.56 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.25 7.81 8 R 8.83 5.25 0.00 2.01 1.90 0.00 3.29 0.00 0.00 4.01 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 9 M 8.18 4.95 0.00 2.41 1.99 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.67 0.00 10 D 8.84 4.41 0.00 2.73 2.55 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 0.00 11 I 8.33 3.43 1.77 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 1.17 0.04 0.95 0.00 0.00 12 A 8.31 4.24 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 13 K 7.43 4.65 0.00 1.66 1.77 0.00 1.61 0.00 0.00 1.84 0.00 0.00 3.28 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.31 7.81 14 N 8.21 4.83 0.00 2.92 2.50 0.00 0.00 6.19 8.06 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 15 D 8.94 4.93 0.00 2.73 2.77 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 16 E 8.35 4.86 0.00 2.33 1.88 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 2.35 2.37 0.00 17 E 8.49 4.11 0.00 1.98 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 2.40 2.28 0.00 18 C 7.08 3.96 0.00 2.69 2.49 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 0.00 0.00 0.00 0.00 19 V 7.51 4.56 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 -0.08 0.00 0.00 0.84 0.00 0.00 20 V 8.51 4.52 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 0.72 0.00 0.00 0.91 0.00 0.00 21 N 8.96 4.81 0.00 2.80 2.67 0.00 0.00 6.79 8.19 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 22 A 8.62 4.76 1.19 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 0.00 0.00 23 A 8.76 4.70 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 24 N 8.47 5.33 0.00 3.10 3.09 0.00 0.00 5.69 7.76 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 25 P 0.00 5.33 0.00 2.21 2.16 0.00 3.24 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 *27 G 7.68 4.29 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 0.00 28 L 8.52 5.74 0.00 1.67 1.91 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *34 C 8.46 4.70 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.09 4.41 0.00 1.91 1.96 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.39 7.81 36 A 8.06 3.93 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 37 V 7.89 3.90 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 1.38 0.00 0.00 1.21 0.00 0.00 38 Y 8.18 4.19 0.00 2.85 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 39 K 7.40 3.69 0.00 1.84 1.62 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.36 1.40 7.81 40 K 7.56 3.59 0.00 0.85 0.74 0.00 1.25 0.00 0.00 1.27 0.00 0.00 2.73 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.36 7.81 41 W 8.13 5.15 0.00 3.51 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 42 P 0.00 4.05 0.00 2.10 1.79 0.00 3.53 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 1.93 1.93 0.00 43 E 8.30 4.14 0.00 2.04 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 0.00 2.37 2.42 0.00 44 S 8.22 4.35 0.00 4.20 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 0.00 45 F 8.19 4.35 0.00 3.36 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 46 K 7.84 4.19 0.00 1.90 1.86 0.00 1.97 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.41 7.81 47 N 8.46 4.25 0.00 3.01 2.89 0.00 0.00 6.79 7.57 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 48 S 7.67 4.35 0.00 3.65 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 49 A 6.97 4.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.09 4.55 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 1.22 0.00 0.00 51 P 0.00 4.66 0.00 2.22 1.96 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 52 V 8.11 3.70 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 0.76 0.00 0.00 0.62 0.00 0.00 53 G 9.61 4.38 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 0.00 54 T 7.60 4.76 4.36 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 1.20 0.00 0.00 55 A 9.83 5.94 1.11 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 0.00 0.00 *58 V 8.10 3.79 2.18 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 1.13 0.00 0.00 1.01 0.00 0.00 59 M 8.65 4.65 0.00 1.95 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 60 C 9.32 4.78 0.00 3.05 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 61 G 9.27 3.88 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 0.00 0.00 0.00 62 T 9.02 4.42 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 1.28 0.00 0.00 63 Y 7.86 4.32 0.00 3.06 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 64 P 0.00 4.49 0.00 1.79 1.75 0.00 3.03 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 65 V 7.81 4.02 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 0.49 0.00 0.00 0.60 0.00 0.00 66 I 8.39 4.00 1.77 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 1.13 0.21 0.87 0.00 0.00 67 H 8.71 4.80 0.00 3.10 3.29 0.00 5.59 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 68 A 8.94 5.01 1.16 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 0.00 0.00 0.00 69 V 8.10 4.60 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 1.47 0.00 0.00 1.05 0.00 0.00 70 G 8.53 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 0.00 0.00 0.00 71 P 0.00 3.74 0.00 1.00 0.75 0.00 3.60 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 72 N 7.95 4.30 0.00 1.65 2.47 0.00 0.00 7.12 7.71 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 73 F 9.05 4.54 0.00 3.04 3.10 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 0.00 0.00 0.00 0.00 74 S 8.36 4.38 0.00 4.04 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.13 4.73 0.00 2.75 2.69 0.00 0.00 6.84 7.11 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 76 Y 7.61 4.52 0.00 2.68 2.63 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 77 S 8.33 4.54 0.00 4.11 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 78 E 8.88 4.22 0.00 2.08 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 2.50 2.37 0.00 79 S 8.12 4.11 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.40 4.15 0.00 2.28 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 2.39 2.52 0.00 81 G 8.43 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.56 0.00 3.14 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 83 R 7.73 3.92 0.00 2.11 2.02 0.00 3.21 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 84 E 8.20 3.96 0.00 1.53 1.64 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 2.35 2.11 0.00 85 L 8.25 3.80 0.00 1.85 1.79 0.87 1.33 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 86 A 7.97 4.03 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 87 A 7.97 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 88 A 8.15 3.83 1.26 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 0.00 0.00 0.00 89 Y 8.20 4.26 0.00 3.19 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 90 R 8.22 3.99 0.00 1.95 2.15 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 91 E 8.21 3.94 0.00 2.24 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 2.34 2.47 0.00 92 V 7.80 3.55 2.45 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 0.90 0.00 0.00 0.95 0.00 0.00 93 A 7.69 4.00 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 94 K 8.35 3.85 0.00 1.87 1.98 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 95 E 8.72 3.89 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 2.41 2.44 0.00 96 V 8.08 3.59 2.18 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 0.81 0.00 0.00 0.92 0.00 0.00 97 T 8.08 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 98 R 7.66 3.87 0.00 1.98 2.06 0.00 3.25 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 1.63 1.66 0.00 99 L 8.54 4.12 0.00 1.84 1.64 0.80 0.86 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 0.00 100 G 7.70 3.94 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 0.00 0.00 0.00 101 V 7.13 3.95 2.04 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 0.66 0.00 0.00 0.95 0.00 0.00 102 N 9.40 4.69 0.00 2.90 2.85 0.00 0.00 6.86 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 0.00 103 S 7.64 5.29 0.00 3.90 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 *105 A 8.53 4.60 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 9.01 4.96 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 1.11 0.00 0.00 107 P 0.00 5.36 0.00 2.20 2.14 0.00 3.50 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.88 0.00 108 L 8.57 4.41 0.00 1.91 1.86 0.85 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.29 4.00 0.00 1.12 1.39 0.16 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.87 4.17 0.00 4.29 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 0.00 111 T 8.41 4.82 4.78 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 1.46 0.00 0.00 112 G 8.51 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 9.13 4.08 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 0.70 0.00 0.00 1.05 0.00 0.00 114 Y 7.99 5.09 0.00 3.11 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 8.37 4.82 0.00 4.19 4.12 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 0.00 116 G 9.36 4.15 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 0.00 117 G 8.64 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 0.00 0.00 0.00 118 K 7.76 4.48 0.00 1.71 1.62 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.33 7.81 119 D 8.62 4.73 0.00 2.78 2.63 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 0.00 120 R 8.55 4.48 0.00 1.90 1.88 0.00 2.94 0.00 0.00 2.73 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.65 0.00 121 L 7.55 3.36 0.00 0.29 1.02 -0.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.49 3.66 4.12 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 1.13 0.00 0.00 123 Q 7.80 3.86 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.92 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 124 S 8.70 4.26 0.00 4.10 3.94 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 0.00 125 L 8.11 3.43 0.00 1.55 1.56 0.34 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.12 4.23 0.00 2.87 2.73 0.00 0.00 7.08 8.73 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 0.00 127 H 7.89 4.17 0.00 3.40 3.45 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 7.15 2.65 0.00 0.91 1.16 0.90 1.17 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 0.00 129 F 7.50 4.38 0.00 3.08 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 0.00 130 T 7.77 3.89 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 1.24 0.00 0.00 131 A 7.81 4.18 1.46 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 0.00 0.00 0.00 132 M 8.35 3.88 0.00 2.15 2.41 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 2.74 2.90 0.00 133 D 8.30 4.59 0.00 2.76 2.83 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 0.00 134 S 7.51 4.83 0.00 3.90 3.96 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 0.00 135 T 7.98 4.55 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 1.26 0.00 0.00 136 D 8.61 4.63 0.00 2.78 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 0.00 137 A 7.25 4.81 1.16 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 0.00 0.00 0.00 138 D 8.74 4.42 0.00 2.63 2.60 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 0.00 139 V 8.27 4.58 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 1.12 0.00 0.00 0.83 0.00 0.00 140 V 8.48 4.81 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 0.72 0.00 0.00 1.08 0.00 0.00 141 I 9.20 4.95 1.90 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 1.31 0.60 0.96 0.00 0.00 142 Y 9.20 5.21 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 C 8.60 4.83 0.00 3.23 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.66 4.31 0.00 1.78 1.99 0.00 3.49 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 145 D 7.77 4.40 0.00 2.38 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 0.00 0.00 0.00 0.00 146 K 8.69 3.88 0.00 1.88 1.80 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.57 7.81 147 E 8.40 4.06 0.00 2.21 2.18 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 2.46 2.43 0.00 148 W 7.94 4.36 0.00 3.73 3.27 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 0.00 149 E 8.27 4.01 0.00 2.13 2.26 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 2.34 2.35 0.00 150 K 8.13 3.94 0.00 1.92 1.94 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.50 7.81 151 K 7.87 4.00 0.00 1.78 1.77 0.00 1.94 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 152 I 8.11 3.62 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.22 0.89 0.00 0.00 153 S 8.06 4.05 0.00 4.07 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 0.00 154 E 8.23 3.89 0.00 2.24 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 2.34 2.37 0.00 155 A 7.66 4.05 1.39 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 0.00 0.00 0.00 156 I 7.60 3.78 2.06 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 1.74 1.24 1.01 0.00 0.00 157 Q 7.77 4.42 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 158 M 7.34 4.44 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 159 R 7.36 4.11 0.00 1.77 1.60 0.00 2.66 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 * Residues marked with a * may have inaccurate shift predictions.