NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8979 8.3501 109.7376 45.2983 0.0000 174.7469 6 A 3.7503 7.9590 125.1099 53.0927 19.6408 175.7307 *8 A 4.1609 7.6759 116.3591 52.9413 21.1042 174.4026 9 E 4.7364 8.0553 113.5013 55.6711 30.1957 174.7296 10 K 4.3546 7.5412 120.0891 55.0024 33.8008 175.7148 11 P 4.3775 0.0000 0.0000 61.6316 31.8040 175.0457 12 P 4.4611 0.0000 0.0000 62.0694 32.4079 177.3566 13 K 4.3591 8.3224 119.3937 56.9447 30.3769 178.0260 14 E 4.4297 10.0359 115.5396 55.9661 30.5420 176.9091 15 L 3.3216 7.5123 120.8513 57.8950 41.2892 179.4621 16 V 3.3426 7.0002 117.5172 65.9076 31.5670 177.6027 17 N 4.2622 7.7779 115.7625 56.1310 38.3839 176.6987 18 E 3.8316 7.9316 120.5599 59.3014 29.7385 179.0082 19 W 4.5003 7.8610 118.9803 59.8111 28.9761 178.7984 20 S 4.1995 8.5531 115.5936 61.5324 62.3121 176.3934 21 L 3.9894 8.0690 121.6528 57.9211 41.4338 179.6675 22 K 3.9305 8.1155 117.9817 59.8199 31.8618 179.3817 23 I 3.7857 7.7799 118.5122 64.3154 37.0432 178.3099 24 R 4.0182 8.0711 118.7848 59.3186 30.2940 177.8046 25 K 3.9846 8.5403 119.7128 59.7620 32.2163 180.3104 26 E 3.8502 8.5925 120.2495 56.2118 29.9233 179.6544 *28 R 4.2104 8.0248 119.0530 56.4040 32.3251 177.9612 29 V 3.5286 7.6278 116.8789 66.1236 31.3063 177.7940 30 V 3.5050 7.8947 117.5089 66.3870 31.2380 177.4591 31 D 4.3022 8.1516 117.6493 57.6112 40.5950 178.5971 32 R 3.8644 8.1353 118.9500 60.0208 30.0236 178.4265 33 Q 3.9507 8.2507 117.4672 58.8237 28.5627 178.8716 34 I 3.5260 8.0441 121.2393 64.2917 37.0978 177.9994 35 R 3.8626 8.0934 119.7786 59.8355 29.8149 177.9749 36 D 4.3328 8.2403 118.2575 57.5490 40.7880 178.8505 37 I 3.6916 7.7501 120.0844 64.4426 37.1172 178.2826 38 Q 3.9746 8.2646 118.9948 59.2513 28.3023 178.9689 39 R 4.4331 8.2339 121.1067 59.0134 30.0146 178.0212 40 E 3.8124 8.3109 118.7201 58.9060 29.5272 178.5324 41 E 4.0140 8.4448 119.2962 59.0353 29.2934 178.8104 42 E 3.9633 8.1009 118.7872 59.5566 29.5059 179.5309 43 K 3.9461 7.5812 117.7570 59.5733 32.1411 179.3367 44 V 3.5293 7.7515 118.3538 66.3922 31.2142 177.6566 45 K 3.8832 8.4598 119.3990 59.4041 32.0260 178.5268 46 R 3.9141 7.9340 117.4973 59.6655 30.1910 178.9603 47 S 4.0898 8.2375 114.6012 61.8229 62.8146 176.9610 48 V 3.6093 8.0210 120.9752 66.5388 31.1039 177.3809 49 K 3.8647 8.3589 117.8539 59.2717 31.7488 178.4723 50 D 4.4049 8.4866 118.2919 57.9928 41.0213 179.6935 51 A 3.9907 8.1924 120.3134 54.6555 18.2606 179.6919 52 A 3.8727 8.1938 119.9171 55.4914 18.3783 179.7737 53 K 3.9585 8.0137 115.7488 59.3569 32.1769 178.6061 54 K 4.4318 8.0580 115.9631 55.5983 32.2378 177.6206 55 G 3.9310 8.2891 107.4898 46.5233 0.0000 176.3421 56 Q 4.3498 7.5687 120.5186 54.3949 25.0922 176.2731 57 K 3.8326 8.0257 124.2183 59.8834 32.4718 178.1767 58 D 4.4116 8.1980 118.0499 57.1916 40.6248 179.0973 59 V 3.6847 7.6921 118.7465 65.7372 31.6557 177.5277 60 C 3.9740 8.1029 115.9785 63.1170 28.0064 175.7335 61 I 3.6643 7.7213 121.0601 64.8131 36.7224 178.5345 62 V 3.5897 7.5283 118.2311 66.0264 31.2257 177.9295 63 L 3.9500 8.2418 117.7080 57.7000 41.4301 179.1344 64 A 4.1207 8.4192 120.2993 55.3689 18.5885 179.5383 65 K 4.0176 8.0999 116.5783 59.3702 31.9825 178.9609 66 E 4.1551 8.0929 117.3748 56.8139 29.2162 178.1376 *68 I 4.0675 7.6715 112.7785 60.4317 39.6936 177.6526 69 R 3.8795 7.7219 121.0957 59.0005 29.7483 178.4483 70 S 4.0604 8.1182 115.0488 61.6180 62.8009 176.4531 71 R 3.9530 8.0455 119.9293 59.7389 29.8638 178.9696 72 K 3.9090 8.2790 117.5513 59.5090 32.0077 179.1575 73 A 4.0033 7.9480 121.0309 55.2009 18.2888 179.8875 74 V 3.5152 7.8922 116.7263 66.4831 31.5504 177.3350 75 S 4.1586 8.6147 113.0054 61.0504 62.0910 175.6660 76 K 3.8077 8.9209 122.3004 60.0397 32.0275 178.8603 77 L 3.9197 7.7389 118.5568 57.9978 41.6207 178.8330 78 Y 4.2253 8.5891 116.6825 61.9177 37.8622 177.8360 79 A 3.9913 8.7611 121.8084 54.3312 18.0181 179.8551 80 S 4.0721 8.1633 114.3168 61.1032 63.4258 177.0330 81 K 4.0821 8.0059 120.9810 59.3125 32.2505 178.1458 82 A 4.1827 8.1420 121.0868 55.7374 18.2513 179.2466 83 H 3.9677 7.6584 113.1207 57.4132 29.9515 176.5590 *85 N 4.6523 8.1266 121.6449 53.6886 40.6188 176.4143 86 S 4.2143 8.5070 112.4672 61.2283 62.6578 175.4549 87 V 3.7253 7.8497 119.1430 65.8022 31.3085 177.6187 88 L 4.0884 7.3646 116.8331 55.7568 41.1251 177.1226 *90 G 3.7448 8.0315 104.0723 44.8308 0.0000 175.3165 *92 K 4.1693 8.0305 122.5938 56.0738 34.1697 177.2567 93 N 4.3034 8.2102 116.2183 56.9222 38.8416 176.5705 94 Q 4.0297 8.4117 119.6569 58.9526 28.7244 178.9404 95 L 3.9504 7.9771 119.1624 57.7523 41.3632 178.8366 96 A 3.9713 8.3041 121.0030 55.6364 18.3184 179.6913 97 V 3.3695 8.4940 116.4354 66.3683 31.3149 178.2862 98 L 4.1480 8.1327 118.7188 57.4635 41.2800 178.9264 99 R 3.8950 8.1406 118.4541 59.1321 29.9118 177.8742 100 V 4.2490 7.3202 109.2446 62.1742 33.3644 176.0977 101 A 4.2577 8.0755 121.1411 51.4211 19.6011 178.3472 102 G 4.0851 9.1048 104.6618 44.9966 0.0000 173.8614 103 S 4.3728 7.6783 108.4574 56.9331 65.2414 175.8110 104 L 4.1736 8.6744 125.7631 55.3619 41.8001 175.4159 105 Q 4.4724 8.0649 115.4489 55.3599 30.1805 173.2075 106 K 4.0277 8.4942 118.5820 57.6667 32.6637 176.7422 107 S 4.3628 8.0421 109.1267 57.9231 63.5086 175.7585 108 T 4.0827 8.4732 117.5266 63.1759 68.8994 175.7690 109 E 4.1471 7.9908 123.1809 59.4962 30.3194 179.0834 110 V 3.9247 7.2441 111.3856 60.8523 30.7027 177.0924 *112 K 4.2658 7.9083 120.4027 56.9764 34.8682 178.8344 113 A 4.0912 7.5016 120.6838 52.3525 17.4700 179.0432 *115 Q 4.1565 8.2793 121.0544 57.7356 30.5268 177.5054 116 S 4.2276 8.1887 110.8165 60.2193 63.2312 174.7664 117 L 4.2747 7.7116 122.6242 56.8488 42.4331 177.6604 118 V 4.0994 7.0794 111.7218 60.9467 30.9168 176.0953 119 K 4.2848 7.9705 119.9948 56.7734 33.8585 176.3987 120 I 4.0066 8.1242 117.4388 62.5417 38.4218 174.1592 121 P 4.2558 0.0000 0.0000 64.5903 29.6663 174.6523 122 E 5.5761 8.5515 121.2049 53.0537 30.5324 177.4214 123 I 4.0691 8.1065 111.3200 62.0587 37.0674 178.4399 124 Q 4.3785 7.9850 121.9973 55.8016 27.8726 177.6196 125 A 4.3715 9.8248 123.0233 54.2326 19.8509 181.3463 126 T 4.2030 7.6681 106.9862 61.5562 67.8898 175.9226 *128 R 4.3315 8.0606 123.4627 57.0558 32.2664 176.5866 129 E 4.0650 7.6411 117.3473 58.7508 29.6225 177.8107 130 L 3.7838 8.0788 118.0770 58.1484 41.8002 179.1400 131 S 4.0232 7.7744 110.9506 61.3701 62.4189 175.7748 132 K 4.0483 7.3312 120.5575 59.0168 33.6539 176.7314 133 E 4.1184 8.2096 122.3129 56.3652 27.1844 177.1912 *136 K 4.1670 7.8519 121.4658 56.1405 34.5088 176.7540 137 A 4.1613 7.9262 120.4753 54.4083 18.3703 178.2452 138 G 4.2272 8.3237 103.3540 46.2931 0.0000 174.4124 139 I 4.4327 8.0448 121.8547 61.6881 38.8036 175.3442 140 I 4.4920 7.1206 112.2364 59.0373 37.5960 173.7804 *161 A 4.4165 8.2208 131.2189 52.1600 20.8756 176.1268 162 E 4.3897 7.5071 111.8245 55.5714 31.8427 173.9002 *164 E 4.3959 8.7732 115.3369 57.0113 31.7284 177.7313 165 I 3.6963 7.5822 111.2064 64.3888 37.2611 177.6635 166 D 4.4748 8.1000 120.2944 57.1061 40.7636 178.7148 167 R 3.8505 7.9984 118.4476 59.3558 30.0458 178.5248 168 I 3.7367 8.0302 119.9605 64.4644 37.2158 178.4209 169 L 4.1193 8.7559 120.8397 57.5703 41.3491 179.4501 170 F 3.9939 8.6665 120.9818 61.3875 39.2867 176.6217 171 E 4.1209 8.8794 118.4861 60.1252 29.1647 179.7733 172 I 3.8468 8.3954 118.9716 63.4312 37.1415 177.1488 173 T 4.2864 7.8164 108.3455 60.4439 69.1529 174.1295 174 A 3.8197 8.0859 122.5772 53.9480 16.2814 177.9989 175 G 2.2498 7.2447 102.4965 46.7361 0.0000 174.5275 176 A 4.3970 7.2408 121.9988 52.2564 20.9960 178.2037 177 L 4.6077 7.2041 115.8410 52.2537 41.1387 177.1570 178 G 4.3049 7.9614 109.4247 45.4208 0.0000 170.3762 179 K 4.4481 8.5484 117.8027 55.0940 34.5557 176.3029 180 A 4.1757 8.4060 121.0768 52.5665 18.4072 177.5582 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 5 G 8.35 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 6 A 7.96 3.75 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 *8 A 7.68 4.16 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 9 E 8.06 4.74 0.00 1.89 1.82 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 2.19 2.32 0.00 10 K 7.54 4.35 0.00 1.78 1.73 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.40 7.81 11 P 0.00 4.38 0.00 1.95 1.90 0.00 3.67 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 1.99 2.07 0.00 12 P 0.00 4.46 0.00 2.13 1.96 0.00 3.54 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 2.07 2.08 0.00 13 K 8.32 4.36 0.00 1.71 1.79 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.37 7.81 14 E 10.04 4.43 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 15 L 7.51 3.32 0.00 1.04 0.13 0.85 0.92 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 16 V 7.00 3.34 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 1.23 0.00 0.00 0.98 0.00 0.00 17 N 7.78 4.26 0.00 2.67 2.80 0.00 0.00 6.72 7.66 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 18 E 7.93 3.83 0.00 1.87 1.74 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 2.25 2.34 0.00 19 W 7.86 4.50 0.00 3.54 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 20 S 8.55 4.20 0.00 4.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.07 3.99 0.00 1.90 1.74 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.12 3.93 0.00 1.91 1.92 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.76 7.81 23 I 7.78 3.79 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.79 0.94 0.00 0.00 24 R 8.07 4.02 0.00 2.00 2.17 0.00 3.36 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 1.66 1.69 0.00 25 K 8.54 3.98 0.00 1.82 2.03 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 26 E 8.59 3.85 0.00 1.98 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 2.51 2.52 0.00 *28 R 8.02 4.21 0.00 2.04 2.02 0.00 3.15 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 29 V 7.63 3.53 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 1.15 0.00 0.00 0.93 0.00 0.00 30 V 7.89 3.50 2.06 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 0.93 0.00 0.00 0.94 0.00 0.00 31 D 8.15 4.30 0.00 2.90 2.72 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 32 R 8.14 3.86 0.00 1.93 2.14 0.00 3.08 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 33 Q 8.25 3.95 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 34 I 8.04 3.53 1.81 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.55 0.64 0.00 0.00 35 R 8.09 3.86 0.00 1.97 2.10 0.00 3.09 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 1.63 1.70 0.00 36 D 8.24 4.33 0.00 2.81 2.69 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 37 I 7.75 3.69 1.84 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 1.50 0.81 0.90 0.00 0.00 38 Q 8.26 3.97 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00 39 R 8.23 4.43 0.00 2.01 2.03 0.00 3.13 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 40 E 8.31 3.81 0.00 2.13 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 2.30 2.39 0.00 41 E 8.44 4.01 0.00 2.19 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 2.33 2.56 0.00 42 E 8.10 3.96 0.00 2.21 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 2.34 2.51 0.00 43 K 7.58 3.95 0.00 1.96 1.85 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 44 V 7.75 3.53 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 1.08 0.00 0.00 0.99 0.00 0.00 45 K 8.46 3.88 0.00 1.92 2.08 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 46 R 7.93 3.91 0.00 2.00 2.00 0.00 3.19 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 1.66 1.95 0.00 47 S 8.24 4.09 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 48 V 8.02 3.61 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.03 0.00 0.00 49 K 8.36 3.86 0.00 2.08 1.78 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.65 7.81 50 D 8.49 4.40 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.19 3.99 1.38 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 52 A 8.19 3.87 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 53 K 8.01 3.96 0.00 1.87 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.50 7.81 54 K 8.06 4.43 0.00 1.72 1.83 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.54 7.81 55 G 8.29 3.93 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 0.00 0.00 0.00 56 Q 7.57 4.35 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 57 K 8.03 3.83 0.00 1.79 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.55 7.81 58 D 8.20 4.41 0.00 2.68 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 59 V 7.69 3.68 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 0.96 0.00 0.00 0.93 0.00 0.00 60 C 8.10 3.97 0.00 3.18 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 61 I 7.72 3.66 2.06 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 1.41 0.79 0.91 0.00 0.00 62 V 7.53 3.59 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 1.03 0.00 0.00 0.93 0.00 0.00 63 L 8.24 3.95 0.00 1.79 1.73 0.92 0.84 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 64 A 8.42 4.12 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 65 K 8.10 4.02 0.00 1.94 1.89 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.60 7.81 66 E 8.09 4.16 0.00 2.16 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 2.30 2.36 0.00 *68 I 7.67 4.07 1.88 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 1.44 0.52 0.91 0.00 0.00 69 R 7.72 3.88 0.00 1.98 2.15 0.00 3.10 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 70 S 8.12 4.06 0.00 3.93 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 71 R 8.05 3.95 0.00 2.02 2.02 0.00 3.15 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 72 K 8.28 3.91 0.00 1.80 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 73 A 7.95 4.00 1.38 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 74 V 7.89 3.52 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 0.83 0.00 0.00 0.94 0.00 0.00 75 S 8.61 4.16 0.00 4.09 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 76 K 8.92 3.81 0.00 1.89 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 77 L 7.74 3.92 0.00 1.79 1.50 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.59 4.23 0.00 3.12 2.92 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 79 A 8.76 3.99 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 80 S 8.16 4.07 0.00 4.08 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 81 K 8.01 4.08 0.00 1.77 2.10 0.00 1.89 0.00 0.00 1.87 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.49 7.81 82 A 8.14 4.18 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 83 H 7.66 3.97 0.00 3.44 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 N 8.13 4.65 0.00 2.96 2.89 0.00 0.00 6.73 7.63 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 86 S 8.51 4.21 0.00 3.85 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 87 V 7.85 3.73 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 0.78 0.00 0.00 0.91 0.00 0.00 88 L 7.36 4.09 0.00 1.72 1.82 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 *90 G 8.03 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 0.00 0.00 0.00 *92 K 8.03 4.17 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 93 N 8.21 4.30 0.00 2.89 3.02 0.00 0.00 7.19 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 94 Q 8.41 4.03 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 95 L 7.98 3.95 0.00 1.89 1.72 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.30 3.97 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 97 V 8.49 3.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 98 L 8.13 4.15 0.00 2.04 1.70 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.14 3.89 0.00 1.96 2.11 0.00 3.39 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 100 V 7.32 4.25 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 0.82 0.00 0.00 0.94 0.00 0.00 101 A 8.08 4.26 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 0.00 102 G 9.10 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 0.00 103 S 7.68 4.37 0.00 3.94 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 0.00 104 L 8.67 4.17 0.00 1.73 1.80 1.12 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.06 4.47 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.95 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 106 K 8.49 4.03 0.00 1.88 1.91 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.45 7.81 107 S 8.04 4.36 0.00 3.82 3.73 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 0.00 108 T 8.47 4.08 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 1.20 0.00 0.00 109 E 7.99 4.15 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 110 V 7.24 3.92 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 0.69 0.00 0.00 0.88 0.00 0.00 *112 K 7.91 4.27 0.00 1.93 2.09 0.00 1.50 0.00 0.00 1.96 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.66 1.44 7.81 113 A 7.50 4.09 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 *115 Q 8.28 4.16 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 116 S 8.19 4.23 0.00 3.86 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 0.00 117 L 7.71 4.27 0.00 2.00 1.65 0.95 1.22 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 0.00 118 V 7.08 4.10 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 0.72 0.00 0.00 0.99 0.00 0.00 119 K 7.97 4.28 0.00 1.82 1.84 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 120 I 8.12 4.01 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.91 0.00 0.00 121 P 0.00 4.26 0.00 2.07 2.02 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 122 E 8.55 5.58 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 123 I 8.11 4.07 1.87 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 1.41 0.65 0.91 0.00 0.00 124 Q 7.99 4.38 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 125 A 9.82 4.37 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 7.67 4.20 4.25 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 1.22 0.00 0.00 *128 R 8.06 4.33 0.00 1.92 2.06 0.00 3.15 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 129 E 7.64 4.07 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 130 L 8.08 3.78 0.00 1.49 1.46 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 131 S 7.77 4.02 0.00 3.77 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 K 7.33 4.05 0.00 1.85 2.04 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 E 8.21 4.12 0.00 2.11 2.25 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 2.45 2.66 0.00 *136 K 7.85 4.17 0.00 1.77 2.05 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 137 A 7.93 4.16 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 0.00 0.00 0.00 0.00 0.00 138 G 8.32 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 0.00 139 I 8.04 4.43 1.77 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.95 0.89 0.00 0.00 140 I 7.12 4.49 1.81 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 1.22 0.48 0.88 0.00 0.00 *161 A 8.22 4.42 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 0.00 162 E 7.51 4.39 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 *164 E 8.77 4.40 0.00 2.05 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 2.30 2.26 0.00 165 I 7.58 3.70 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.10 0.92 0.00 0.00 166 D 8.10 4.47 0.00 2.72 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 0.00 167 R 8.00 3.85 0.00 1.83 2.09 0.00 3.14 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.64 0.00 168 I 8.03 3.74 2.02 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 1.55 0.53 0.94 0.00 0.00 169 L 8.76 4.12 0.00 1.94 1.75 0.97 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 170 F 8.67 3.99 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 8.88 4.12 0.00 2.27 2.07 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 2.42 2.56 0.00 172 I 8.40 3.85 1.89 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 1.59 0.56 0.91 0.00 0.00 173 T 7.82 4.29 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 1.26 0.00 0.00 174 A 8.09 3.82 1.27 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 0.00 0.00 175 G 7.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 A 7.24 4.40 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 0.00 177 L 7.20 4.61 0.00 1.58 1.62 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 178 G 7.96 4.30 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 0.00 179 K 8.55 4.45 0.00 1.81 1.76 0.00 1.33 0.00 0.00 1.09 0.00 0.00 2.31 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.96 1.29 7.81 180 A 8.41 4.18 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 * Residues marked with a * may have inaccurate shift predictions.