NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 41 E 4.6721 8.4293 121.7395 56.3670 30.7729 174.4994 42 Q 4.5268 9.1150 126.4762 54.0268 31.5126 171.3401 43 E 4.5983 9.3655 122.5166 55.3956 30.4931 176.9874 44 L 4.1648 8.8168 125.5673 56.8554 42.8418 177.0536 45 A 4.4946 7.0703 116.8445 51.3619 22.3619 175.4631 46 T 5.1986 8.4397 115.2470 61.7526 72.6611 173.7232 47 K 4.6935 9.0374 123.3356 54.7672 36.2912 174.8386 48 M 4.9931 8.6386 122.9229 53.6365 34.9247 174.4286 49 L 4.8127 8.8306 125.3622 52.8749 45.7017 175.0647 50 Q 5.0107 8.7376 124.0388 54.4868 30.9630 174.7681 51 I 4.3989 8.8313 127.4822 60.7659 40.6061 175.6371 52 Q 3.0772 9.8485 128.5421 57.1293 26.9652 174.4816 53 S 3.9763 8.0022 109.7782 58.5457 62.8628 170.7748 54 K 4.6585 8.1912 120.9540 55.1025 35.0665 175.1734 55 R 5.0443 8.1125 119.6443 54.5133 33.3363 175.2264 56 F 5.3559 9.1412 120.8615 55.9183 43.0125 173.4939 57 Y 4.9969 9.1664 120.6559 56.2115 40.6904 174.6286 58 L 5.0023 9.1264 125.1934 53.3505 43.9357 175.1140 59 D 5.2524 8.9172 125.2109 52.2994 43.6003 175.8931 60 V 4.1992 8.3348 124.6581 62.2419 32.6519 175.0774 61 K 4.8667 8.5807 126.6145 54.6682 37.0160 174.9938 62 Q 4.9740 8.6598 122.0839 55.1071 32.8223 173.7617 63 N 4.8229 8.9099 121.9413 51.9978 40.1132 174.7543 64 R 4.0644 8.6851 115.7595 58.8487 30.1714 177.3988 65 R 4.3224 8.0255 116.1414 55.7826 30.5370 176.3922 66 G 3.9047 8.5521 106.8322 44.4536 0.0000 172.2597 67 R 5.1190 8.1084 118.3889 55.2936 31.6228 175.5144 68 F 5.1117 8.6336 119.0032 56.3318 42.2298 172.5112 69 I 4.8615 9.2015 120.7365 59.5582 39.2285 174.8411 70 K 4.6405 9.0764 129.5876 55.1278 34.0461 175.2518 71 V 4.9221 8.7526 127.3854 61.2971 33.9057 173.7360 72 A 5.1782 9.1198 130.5566 50.1904 21.6237 174.6137 73 E 4.5652 9.6210 123.5313 54.2321 32.9069 174.5834 74 I 4.5842 8.3589 128.0418 59.3435 39.3756 176.1794 75 G 3.9941 8.9369 116.8417 44.6071 0.0000 174.0389 76 A 3.9330 8.4243 122.3580 54.5482 18.3677 178.2787 77 D 4.5652 8.0107 112.6277 53.2757 40.0493 177.3225 78 G 3.9144 8.0617 109.2969 44.8662 0.0000 174.0290 79 R 3.9426 8.1360 121.4033 56.9535 30.9908 175.3161 80 R 5.1812 8.5079 125.2973 54.9583 31.8933 175.6279 81 S 4.7790 8.7067 116.6663 57.6938 66.8961 172.8678 82 Q 5.2933 8.4782 118.2177 54.6056 32.8776 173.8745 83 I 4.9679 8.7754 114.2523 59.5753 41.8198 173.5056 84 Y 5.3480 9.5211 119.5403 56.3298 41.5690 175.2306 85 L 4.9744 9.3893 122.8441 52.5824 45.6764 176.5450 86 A 4.5331 8.7496 125.7841 51.9042 19.4924 178.4204 87 L 4.1577 8.5929 120.0971 57.6896 41.7141 180.2990 88 S 4.1951 8.0533 114.1511 61.7188 63.1526 176.4913 89 T 3.8372 7.9317 118.7657 66.2066 68.1355 176.2439 90 A 4.1764 8.2092 122.4930 55.1471 18.4752 179.5515 91 A 3.9591 8.0170 118.9865 55.2240 18.4839 179.4478 92 E 3.8773 8.1076 117.3960 59.3235 29.7418 178.8460 93 F 4.5252 8.7107 121.0980 61.4128 39.2781 176.6879 94 R 3.7583 8.0962 117.4241 59.8101 29.5298 177.7587 95 D 4.4989 7.9692 117.6924 57.8249 40.8223 178.4244 96 H 4.4110 8.3481 116.6276 59.0800 28.7151 177.8399 97 L 4.2089 8.0765 120.7409 57.7227 41.4731 179.6631 98 S 4.1650 7.8233 114.2575 61.7107 62.8090 176.7532 99 S 4.1180 8.0553 115.2030 61.4857 62.1849 176.0041 100 F 4.1549 8.7844 120.9983 60.3690 38.5193 177.6136 101 S 4.3134 8.4740 112.9157 61.6822 62.0570 175.8106 102 D 4.3956 7.8349 119.7517 57.5769 40.8657 178.0808 103 Y 4.1681 8.1026 119.7592 60.9247 38.7749 177.2084 104 Y 4.2757 8.6022 120.5396 61.0231 38.6689 178.1106 105 A 3.7368 8.0667 119.6751 53.8367 18.5528 178.6619 106 S 4.3109 7.5280 111.1510 59.0843 63.6567 175.4727 107 L 3.7245 7.2963 122.9275 55.9589 41.5572 178.5438 108 G 3.8538 7.7824 106.9463 43.4739 0.0000 170.9368 109 P 4.4105 0.0000 0.0000 61.5892 31.8259 174.2469 110 P 4.6493 0.0000 0.0000 63.0017 33.6494 175.4888 111 N 4.8879 8.6993 121.7092 54.2109 43.9304 175.6064 *114 N 4.6032 9.0609 113.4509 53.4554 38.4063 174.4501 115 L 4.9309 7.5174 125.7231 54.6213 42.5749 171.4810 116 P 4.9245 0.0000 0.0000 61.6880 32.4544 174.6865 117 E 4.5083 7.9859 118.0847 54.6932 31.5606 175.4956 *119 G 3.6917 8.3243 109.6193 45.3280 0.0000 172.6942 120 K 4.2616 8.5168 124.2432 56.0799 33.0617 176.8104 121 L 4.4820 8.4692 123.2025 56.7366 42.9692 177.0516 122 K 4.2757 7.5263 116.3873 55.6046 35.3341 174.3976 123 S 5.3832 8.4834 120.8700 57.2229 67.0702 172.8510 124 E 4.8927 9.5776 121.7892 55.0767 34.4954 173.9278 125 M 5.1554 8.4947 119.3990 54.3207 35.4710 173.9618 126 M 4.9549 9.3372 124.8290 53.5856 35.8503 174.6394 127 I 4.9012 8.2927 121.4535 59.6161 40.7074 175.8338 128 K 4.3761 9.3132 127.9091 55.7586 34.7308 178.1066 129 D 4.2202 8.7058 129.8480 55.7435 39.8667 175.0662 130 Y 4.2802 9.2133 128.9508 59.0085 38.9750 174.2861 131 R 4.8933 8.2044 121.2649 54.6469 32.1599 175.5093 132 R 4.8903 8.6364 123.0102 54.4529 33.5364 174.6756 133 Y 4.9465 8.9249 120.1131 56.5012 41.3612 174.0757 134 Y 4.9178 8.9308 123.3271 56.6723 40.0116 174.9665 135 L 4.8649 8.9607 125.7589 53.4678 43.2541 175.4433 136 D 5.2119 8.7932 125.5275 51.9206 43.5393 175.8051 137 L 4.2857 8.7673 127.4610 55.3966 43.1561 175.9469 138 K 4.9822 8.4417 127.0250 54.4755 35.8477 174.5887 139 E 5.2274 8.2255 120.1554 55.5184 32.8613 174.5686 140 N 4.9195 9.2495 121.4270 51.9826 39.9540 174.1992 141 A 4.0118 8.8837 119.5074 55.4877 18.3959 178.6897 142 R 4.2944 9.1762 113.2900 56.4633 31.2617 176.4440 143 G 3.8046 6.7332 103.7904 45.2787 0.0000 171.7191 144 R 5.1465 8.4019 119.4621 54.9915 32.4872 175.7119 145 F 5.3317 8.4369 116.7197 55.4085 42.0966 173.3534 146 L 4.6055 9.1481 124.0644 53.7841 42.8425 175.4281 147 R 4.7321 8.7745 129.1554 56.0666 31.5354 175.3596 148 V 4.7867 9.0733 126.6894 60.1736 33.9221 174.5218 149 S 5.2936 9.0441 122.3334 56.6084 65.5073 172.8825 150 Q 4.7987 9.4062 126.8984 54.4634 31.0206 174.2459 151 T 4.8719 8.5788 116.2506 59.9347 72.5496 172.8713 152 I 4.7857 7.9695 125.2908 59.6912 38.6205 175.6035 153 T 4.2398 8.4126 118.0560 61.5466 69.8837 173.9102 154 R 3.7734 9.3164 117.6929 58.2941 27.1313 177.2855 155 G 3.9820 8.6316 104.2469 45.4416 0.0000 174.9436 156 G 3.8906 7.7278 109.2575 43.8145 0.0000 171.4439 157 P 4.6380 0.0000 0.0000 62.5956 32.5701 175.6659 158 R 4.9907 8.0439 117.6831 54.9919 32.3669 174.6132 159 S 4.7967 8.5617 113.5764 58.3535 66.6652 174.1576 160 Q 5.2675 8.6150 117.4999 54.9822 31.5374 173.6075 161 I 4.9153 8.7590 112.7566 59.1313 41.5376 174.3774 162 A 5.0925 9.7160 125.4486 50.3173 20.8558 175.7582 163 L 4.3523 8.8615 125.5813 53.8091 43.2946 174.2178 164 P 4.6862 0.0000 0.0000 63.0927 32.0263 177.5099 165 A 3.6552 9.0440 126.6613 55.2079 17.9309 179.9190 166 Q 4.2356 7.9887 114.6037 58.5704 28.6867 178.0040 167 G 3.9650 7.8484 106.4904 44.8752 0.0000 175.2383 168 M 3.9462 7.7796 122.4374 58.3976 31.8916 178.6953 169 I 3.7920 7.7227 119.4166 64.3665 37.2600 178.2129 170 E 3.9493 8.1081 119.0198 59.1997 29.3341 179.0017 171 F 3.7492 8.3929 120.8438 61.1308 39.4518 176.7683 172 R 3.8245 8.3804 118.7933 59.8926 29.9297 178.0323 173 D 4.2978 8.4371 118.3984 57.2220 40.7896 178.5739 174 A 3.9195 8.0805 121.3623 55.2641 18.3002 179.7176 175 L 3.8761 7.8942 117.3811 58.1882 41.6849 179.8212 176 T 3.8776 8.0855 116.0371 66.5228 67.8804 176.0292 177 D 4.5020 8.0080 119.9845 55.3999 39.9027 178.7157 178 L 4.1650 7.8469 120.8594 57.9276 41.7336 179.4001 179 L 4.0941 8.3934 119.2729 57.7871 41.2891 179.4083 180 E 3.9599 8.0638 117.8188 59.4166 29.4494 178.8457 181 E 3.9248 7.6131 116.6924 57.9473 29.6415 177.5007 182 F 4.8822 7.9530 113.4891 56.6305 40.8766 175.1496 183 G 3.7934 8.1099 115.7256 45.6389 0.0000 173.5974 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 41 E 8.43 4.67 0.00 2.06 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 2.25 2.46 0.00 42 Q 9.12 4.53 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 43 E 9.37 4.60 0.00 1.79 1.85 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 2.19 2.31 0.00 44 L 8.82 4.16 0.00 1.12 0.78 0.81 0.54 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 45 A 7.07 4.49 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.44 5.20 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 1.41 0.00 0.00 47 K 9.04 4.69 0.00 1.51 1.55 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.31 1.42 7.81 48 M 8.64 4.99 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 1.75 0.00 49 L 8.83 4.81 0.00 1.65 1.55 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.74 5.01 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 51 I 8.83 4.40 2.14 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 1.23 0.59 0.96 0.00 0.00 52 Q 9.85 3.08 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 5.94 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 53 S 8.00 3.98 0.00 4.19 4.10 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 54 K 8.19 4.66 0.00 1.60 1.66 0.00 1.75 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.55 7.81 55 R 8.11 5.04 0.00 1.68 1.49 0.00 3.12 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.51 0.00 56 F 9.14 5.36 0.00 2.88 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 57 Y 9.17 5.00 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 9.13 5.00 0.00 1.45 1.48 0.55 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 59 D 8.92 5.25 0.00 2.53 2.48 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 60 V 8.33 4.20 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 0.52 0.00 0.00 0.83 0.00 0.00 61 K 8.58 4.87 0.00 0.79 1.19 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.16 1.26 7.81 62 Q 8.66 4.97 0.00 2.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 63 N 8.91 4.82 0.00 2.98 3.00 0.00 0.00 6.67 6.96 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 64 R 8.69 4.06 0.00 1.84 2.04 0.00 3.20 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 65 R 8.03 4.32 0.00 1.76 1.89 0.00 3.11 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 66 G 8.55 3.90 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 0.00 0.00 0.00 67 R 8.11 5.12 0.00 1.88 1.89 0.00 3.33 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 68 F 8.63 5.11 0.00 3.45 3.16 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 69 I 9.20 4.86 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.73 0.95 0.00 0.00 70 K 9.08 4.64 0.00 1.98 1.68 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.21 0.62 7.81 71 V 8.75 4.92 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 1.19 0.00 0.00 72 A 9.12 5.18 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 73 E 9.62 4.57 0.00 1.94 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 1.91 1.47 0.00 74 I 8.36 4.58 1.81 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 1.29 1.41 0.88 0.00 0.00 75 G 8.94 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 0.00 0.00 0.00 76 A 8.42 3.93 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 77 D 8.01 4.57 0.00 2.77 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 78 G 8.06 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 0.00 0.00 0.00 79 R 8.14 3.94 0.00 2.19 1.79 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 80 R 8.51 5.18 0.00 1.72 1.83 0.00 3.25 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 81 S 8.71 4.78 0.00 3.90 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 82 Q 8.48 5.29 0.00 1.90 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 83 I 8.78 4.97 2.19 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 1.32 1.35 1.00 0.00 0.00 84 Y 9.52 5.35 0.00 2.85 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 85 L 9.39 4.97 0.00 1.61 1.51 1.11 0.11 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 86 A 8.75 4.53 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 87 L 8.59 4.16 0.00 1.81 1.79 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.05 4.20 0.00 4.07 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 89 T 7.93 3.84 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 0.73 0.00 0.00 90 A 8.21 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 91 A 8.02 3.96 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 92 E 8.11 3.88 0.00 2.24 2.22 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 2.35 2.32 0.00 93 F 8.71 4.53 0.00 3.04 3.25 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 94 R 8.10 3.76 0.00 1.95 2.19 0.00 3.47 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 1.72 1.83 0.00 95 D 7.97 4.50 0.00 2.87 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 96 H 8.35 4.41 0.00 3.66 3.79 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.08 4.21 0.00 1.79 1.65 0.36 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.82 4.16 0.00 4.08 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 99 S 8.06 4.12 0.00 3.87 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 0.00 100 F 8.78 4.15 0.00 3.12 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 0.00 101 S 8.47 4.31 0.00 4.03 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.83 4.40 0.00 2.94 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 0.00 103 Y 8.10 4.17 0.00 3.05 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 0.00 104 Y 8.60 4.28 0.00 3.14 3.32 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 0.00 105 A 8.07 3.74 1.23 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 0.00 106 S 7.53 4.31 0.00 3.93 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 0.00 107 L 7.30 3.72 0.00 1.59 1.67 1.02 1.05 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 0.00 108 G 7.78 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 0.00 0.00 0.00 109 P 0.00 4.41 0.00 2.19 2.06 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 110 P 0.00 4.65 0.00 2.08 2.09 0.00 3.71 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 2.06 2.27 0.00 111 N 8.70 4.89 0.00 2.64 2.31 0.00 0.00 6.89 7.79 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 *114 N 9.06 4.60 0.00 2.91 2.80 0.00 0.00 5.84 7.79 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 0.00 115 L 7.52 4.93 0.00 1.75 1.80 1.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.92 0.00 2.17 2.08 0.00 3.81 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 1.87 1.95 0.00 117 E 7.99 4.51 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 *119 G 8.32 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.52 4.26 0.00 1.74 1.74 0.00 1.74 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.43 7.81 121 L 8.47 4.48 0.00 1.82 1.96 0.96 0.93 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 0.00 122 K 7.53 4.28 0.00 0.96 1.49 0.00 0.76 0.00 0.00 1.14 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.92 7.81 123 S 8.48 5.38 0.00 3.74 3.74 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 0.00 124 E 9.58 4.89 0.00 1.88 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 0.00 2.21 2.20 0.00 125 M 8.49 5.16 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.31 0.00 126 M 9.34 4.95 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 127 I 8.29 4.90 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.86 0.87 0.00 0.00 128 K 9.31 4.38 0.00 1.85 1.86 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.54 7.81 129 D 8.71 4.22 0.00 3.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 Y 9.21 4.28 0.00 2.97 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 0.00 131 R 8.20 4.89 0.00 1.91 1.50 0.00 3.15 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 132 R 8.64 4.89 0.00 1.44 1.24 0.00 3.07 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 133 Y 8.92 4.95 0.00 2.60 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 0.00 134 Y 8.93 4.92 0.00 2.91 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 0.00 135 L 8.96 4.86 0.00 1.67 1.34 1.06 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 136 D 8.79 5.21 0.00 2.52 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.77 4.29 0.00 2.02 1.73 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.44 4.98 0.00 0.79 1.15 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.21 1.16 7.81 139 E 8.23 5.23 0.00 1.90 1.77 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 2.24 2.34 0.00 140 N 9.25 4.92 0.00 2.98 3.10 0.00 0.00 6.78 8.13 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 0.00 141 A 8.88 4.01 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 0.00 142 R 9.18 4.29 0.00 1.78 1.96 0.00 3.21 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 143 G 6.73 3.80 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 0.00 144 R 8.40 5.15 0.00 1.86 1.85 0.00 3.29 0.00 0.00 3.66 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 145 F 8.44 5.33 0.00 3.16 3.06 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 0.00 146 L 9.15 4.61 0.00 1.47 1.41 0.07 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 147 R 8.77 4.73 0.00 2.09 1.83 0.00 3.17 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 148 V 9.07 4.79 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 0.66 0.00 0.00 0.74 0.00 0.00 149 S 9.04 5.29 0.00 3.98 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 0.00 150 Q 9.41 4.80 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.05 1.46 0.00 151 T 8.58 4.87 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 1.33 0.00 0.00 152 I 7.97 4.79 1.84 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 1.24 0.47 0.90 0.00 0.00 153 T 8.41 4.24 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 1.26 0.00 0.00 154 R 9.32 3.77 0.00 2.30 2.11 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.18 0.00 155 G 8.63 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 G 7.73 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 0.00 157 P 0.00 4.64 0.00 2.12 2.17 0.00 3.61 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 2.03 1.92 0.00 158 R 8.04 4.99 0.00 1.82 1.93 0.00 3.08 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 159 S 8.56 4.80 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 0.00 160 Q 8.62 5.27 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 161 I 8.76 4.92 2.24 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.37 1.04 0.00 0.00 162 A 9.72 5.09 1.09 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 0.00 163 L 8.86 4.35 0.00 1.59 1.55 0.60 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.69 0.00 2.14 2.03 0.00 3.78 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 165 A 9.04 3.66 0.63 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 0.00 166 Q 7.99 4.24 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 167 G 7.85 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 0.00 0.00 0.00 168 M 7.78 3.95 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 169 I 7.72 3.79 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.03 0.93 0.00 0.00 170 E 8.11 3.95 0.00 2.13 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 2.41 2.32 0.00 171 F 8.39 3.75 0.00 3.01 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 0.00 172 R 8.38 3.82 0.00 1.91 2.06 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 173 D 8.44 4.30 0.00 2.67 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 0.00 174 A 8.08 3.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 L 7.89 3.88 0.00 1.97 1.69 0.89 0.61 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 0.00 176 T 8.09 3.88 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 0.00 177 D 8.01 4.50 0.00 2.89 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 0.00 178 L 7.85 4.16 0.00 1.76 1.84 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.39 4.09 0.00 1.83 1.74 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 180 E 8.06 3.96 0.00 1.91 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 2.32 2.49 0.00 181 E 7.61 3.92 0.00 1.74 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 0.00 0.00 0.00 2.17 2.21 0.00 182 F 7.95 4.88 0.00 3.14 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 0.00 183 G 8.11 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.