NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.4204 8.3044 118.1952 55.0367 32.5536 174.0611 9 R 4.3727 8.1972 119.9257 53.7645 31.9599 174.0321 10 I 4.0045 8.4566 127.3604 61.7675 38.4116 175.8233 11 T 4.6308 8.3272 116.8698 61.4459 69.0706 174.7259 12 Q 4.2490 7.9756 120.9137 56.9223 28.6057 176.1198 13 G 4.1395 8.5236 104.4816 46.4061 0.0000 175.0529 14 T 3.8271 8.4690 118.1367 65.5527 68.6830 175.5316 15 F 5.2068 7.5948 117.9434 57.3084 40.0973 176.5647 16 S 4.4796 8.5028 115.7364 60.2637 62.5312 174.7743 17 F 4.3062 8.2908 118.0789 57.4521 39.5492 175.5673 18 L 4.7224 7.7272 120.5679 52.0607 43.3992 174.5379 19 P 4.4331 0.0000 0.0000 62.3784 31.8456 176.3197 20 D 4.4721 8.5858 119.6814 54.9402 41.1865 177.1743 21 L 4.4032 8.4208 123.3638 54.8535 42.5552 177.3229 22 T 4.4698 8.6023 112.4568 60.7198 71.7376 175.8001 23 D 4.3548 8.5685 121.2824 57.4197 40.7947 178.6807 24 E 3.9053 8.1188 119.5067 59.4906 29.7438 178.5773 25 Q 3.9407 7.9982 117.6936 59.0997 28.7086 179.1487 26 I 3.7341 8.0792 120.9918 64.1837 37.1237 178.3107 27 K 3.9635 8.2801 120.5546 59.5575 32.0526 179.0021 28 K 4.2866 7.8908 119.8372 59.1240 31.9595 179.3827 29 Q 4.0364 8.2564 118.4039 59.0470 28.5785 178.9575 30 I 3.9438 8.2258 121.1994 64.1088 36.6804 178.2668 31 D 4.3532 8.0820 120.0898 57.4968 40.7985 177.7086 32 Y 4.2098 8.0905 119.9580 61.4474 38.7263 178.4249 33 M 3.9965 8.3772 119.1045 58.3668 31.9727 178.9654 34 I 3.7833 7.8359 120.3764 64.2631 37.1191 178.5451 35 S 4.1696 8.4440 114.3623 60.6045 62.6430 175.6216 36 K 4.2687 7.3410 119.7192 54.6940 33.3604 176.8109 37 K 3.7995 7.6197 116.7756 57.3835 30.0418 174.5852 38 L 4.9279 7.8089 116.8612 53.1853 44.1877 178.2767 39 A 4.3507 9.2180 125.0030 51.8621 19.9373 176.4427 40 I 4.7475 9.0854 124.1737 59.6492 39.3846 175.2448 41 G 4.2857 9.2137 114.7645 44.3708 0.0000 171.6675 42 I 5.2051 8.2189 120.4237 59.4377 40.8720 174.5134 43 E 5.5543 9.2932 125.5079 55.0983 34.2209 174.1235 44 Y 6.3000 9.3781 118.9338 56.7335 41.9966 173.6816 45 T 4.9393 8.2361 109.1398 60.9143 71.9931 172.8463 46 N 4.9857 8.5666 118.0150 52.5913 37.6811 174.6787 47 D 4.6903 7.4799 118.6186 53.1840 41.1581 174.7409 48 I 3.9524 7.5670 121.0070 60.4581 38.6890 176.8409 49 H 4.3996 8.0593 121.0112 56.5409 30.1891 174.0227 50 P 4.5891 0.0000 0.0000 64.7704 31.3080 177.0054 51 R 4.2971 7.9971 115.6232 56.4202 30.2690 175.4578 *64 N 4.8772 7.9995 116.0929 53.0513 39.0455 173.1371 65 A 3.8155 8.1133 124.3334 54.3430 18.7893 177.7523 66 Y 4.5948 7.4096 114.2442 56.2992 37.1952 175.4159 67 W 4.6784 8.4211 124.7075 55.8138 31.0110 175.5461 68 E 4.2329 8.7895 121.5415 56.1934 29.8092 176.6466 69 I 4.4548 8.3140 118.3324 60.3014 39.1495 175.7717 70 W 4.5627 9.6622 135.0000 56.8738 30.0736 177.1043 71 G 3.6756 8.0405 117.5003 44.7985 0.0000 170.9236 72 L 4.5977 8.0956 118.7536 52.2735 43.4929 174.6005 73 P 4.3447 0.0000 0.0000 62.4855 31.9987 176.1056 74 L 4.1368 9.2701 123.2532 54.4306 42.3196 176.1521 75 F 4.3218 8.6453 124.6981 59.6495 38.8107 177.2822 76 D 4.7732 8.6552 125.6246 54.1298 39.7726 176.6307 77 V 3.8711 7.4657 119.4084 63.1868 32.9075 174.9488 78 T 4.2945 8.5906 121.6031 64.7158 70.9789 173.6099 79 D 4.6896 7.8528 123.4254 52.0017 41.1556 174.7824 80 P 4.3433 0.0000 0.0000 65.3152 31.1544 177.9051 81 A 4.1153 8.2230 120.4935 54.8290 17.8663 179.1916 82 A 4.0192 8.2122 119.9370 55.2668 18.4005 180.0805 83 V 3.6543 7.7974 116.3158 66.1611 31.6971 177.8949 84 L 4.0092 7.9092 118.4850 57.8147 41.3659 179.1525 85 F 4.0855 8.4254 120.3837 61.5877 39.3331 177.1039 86 E 4.0724 8.1155 116.9365 59.4580 29.3071 179.2512 87 I 3.5399 7.8837 119.8706 64.7021 37.2209 178.2592 88 N 4.3645 8.2995 116.9142 55.7326 38.3090 177.4565 89 A 3.6680 7.7011 122.7046 55.1098 18.4634 179.3056 90 C 2.0000 7.4323 117.3416 61.8129 31.4881 175.6365 91 R 3.7055 7.6855 119.9859 59.4910 29.4048 179.1750 92 K 3.9734 7.9934 116.9984 59.1223 32.1379 178.9791 93 A 4.1327 7.3642 119.9246 53.6335 19.7306 177.7826 94 R 4.4029 7.9481 116.7468 54.9441 30.8528 176.7404 95 S 4.2155 8.2031 112.5141 60.1059 63.6852 174.9824 96 N 4.8426 8.0615 117.4362 52.7847 37.7170 174.0565 97 F 4.6782 7.6715 115.5410 56.7309 43.3586 174.2107 98 Y 4.4852 8.9902 118.4027 57.3453 39.4165 174.9797 99 I 5.5019 8.9069 124.6599 59.4677 40.8782 174.7471 100 K 4.9643 9.6362 125.2182 55.0635 36.7855 174.9433 101 V 4.5628 7.9307 121.5506 61.0770 33.7482 174.3691 102 V 4.7094 8.8130 128.3242 60.9809 34.2453 174.2166 103 G 4.4453 9.0717 115.4711 44.6542 0.0000 171.7373 104 F 5.0771 9.5384 129.5314 56.4890 41.6206 174.2245 105 S 4.7793 7.7240 120.7101 56.7881 64.0431 174.4456 106 S 4.6523 8.4683 121.2081 58.0380 63.4898 174.5081 107 V 3.5729 7.5813 122.3251 63.5520 31.6872 176.7613 107A R 3.8605 8.5698 128.4213 59.6260 30.3506 177.0874 107B G 3.8098 7.9891 103.0404 46.2831 0.0000 173.2933 108 I 4.0407 7.6993 119.4112 59.2152 39.6164 175.7211 109 E 3.8578 7.7952 120.5939 55.5131 27.5759 173.5244 110 S 4.9160 6.6058 111.0334 57.5916 66.6593 173.3211 111 T 4.7479 8.6308 118.4980 63.5950 68.5672 174.8192 112 I 4.5637 8.3346 117.3482 60.1096 39.0463 174.9514 113 I 4.2061 7.5474 119.9252 60.8283 41.5584 173.1907 114 S 5.3008 8.6297 123.3807 58.4991 65.1640 172.9973 115 F 5.3411 8.2253 121.9175 54.9029 41.8158 173.7363 116 I 4.6148 8.6050 120.5406 60.6401 37.8780 176.2354 117 V 4.5660 8.5800 120.0353 60.1871 33.1895 175.0645 118 N 4.2897 7.4889 117.6302 53.4287 41.4201 173.5596 119 R 4.4026 8.2838 123.8087 53.0997 33.9467 173.4159 120 P 4.2231 0.0000 0.0000 62.1318 31.9928 176.5920 121 K 4.0122 8.5232 118.8929 59.2673 32.1496 177.3791 122 H 4.7269 7.9433 116.4865 54.1891 32.5636 171.7646 123 E 4.6534 8.4298 127.4660 53.7000 29.8264 173.3544 124 P 4.2051 0.0000 0.0000 63.8879 32.1001 177.2214 125 G 3.8239 8.7820 104.1879 43.7763 0.0000 171.7851 126 F 5.1057 8.5503 116.9906 55.7368 42.5708 174.3938 127 N 4.9463 8.9876 119.4150 51.9945 41.4154 173.4650 128 L 5.0357 8.4131 125.3537 53.6486 44.7868 175.2808 129 M 4.4419 9.4771 127.3049 54.6036 33.7026 175.7763 130 R 4.2892 8.6443 123.0047 54.4079 31.5095 174.1037 131 Q 4.2805 8.4149 125.7405 54.7346 30.5572 174.2949 132 E 4.2996 8.7584 126.9096 55.4488 29.7994 175.7475 133 D 4.8399 8.8111 127.5264 53.7871 40.4371 177.5441 134 K 4.2015 8.5730 116.8610 57.2597 33.9292 176.5379 135 S 3.5679 8.3770 119.3844 60.2499 62.0519 173.4145 136 R 4.4755 8.8266 126.4145 56.8578 30.3642 176.0307 137 S 4.4360 8.3979 116.2788 58.5424 64.1301 173.2721 138 I 4.7703 8.0450 123.1198 59.3865 40.4139 175.0219 139 K 4.3165 8.7040 126.9672 55.4923 33.0263 175.4710 140 Y 5.0949 8.5376 123.1046 57.3211 39.8415 175.5218 141 T 4.6868 8.7428 118.5440 62.0434 72.4515 172.7809 142 I 4.8787 8.5151 127.2005 59.9633 39.2490 174.7771 143 H 4.9656 8.9403 126.1995 54.4186 33.3984 172.8440 144 S 4.3836 8.5823 120.3309 57.9654 64.0510 174.3534 145 Y 4.5133 8.1468 121.2271 61.5662 37.6117 179.0633 146 E 3.8380 8.0396 118.8787 59.2721 29.3067 178.8392 147 S 4.2616 7.3914 112.6187 60.1798 62.9236 175.2399 148 Y 4.3415 7.8929 119.1367 58.3651 38.0697 175.3206 149 K 4.6733 7.1599 119.1057 53.4231 34.7009 174.3432 150 P 4.4436 0.0000 0.0000 62.7131 32.2473 177.0502 151 E 3.8419 8.8819 121.4366 59.9632 29.4776 179.2474 152 D 4.6294 8.1872 115.4937 55.1949 39.3740 176.4251 153 E 4.6087 8.4241 118.8654 56.2222 30.1331 175.9355 154 R 4.2820 7.9329 118.3341 56.2244 31.3527 176.2775 155 Y 3.9799 8.5837 117.9671 58.7019 38.6203 171.4421 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 8 M 8.30 4.42 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 9 R 8.20 4.37 0.00 1.80 1.75 0.00 3.17 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.72 0.00 10 I 8.46 4.00 1.89 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.85 0.00 0.00 11 T 8.33 4.63 4.49 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 0.88 0.00 0.00 12 Q 7.98 4.25 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.65 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 13 G 8.52 4.14 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 0.00 14 T 8.47 3.83 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 15 F 7.59 5.21 0.00 3.16 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 16 S 8.50 4.48 0.00 4.00 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 17 F 8.29 4.31 0.00 3.06 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 18 L 7.73 4.72 0.00 1.81 1.61 0.94 0.89 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 19 P 0.00 4.43 0.00 2.04 2.00 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 20 D 8.59 4.47 0.00 2.68 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 21 L 8.42 4.40 0.00 1.71 1.58 0.79 0.87 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 22 T 8.60 4.47 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 1.26 0.00 0.00 23 D 8.57 4.35 0.00 2.79 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 24 E 8.12 3.91 0.00 1.99 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 2.37 2.33 0.00 25 Q 8.00 3.94 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 26 I 8.08 3.73 2.09 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.06 1.12 0.00 0.00 27 K 8.28 3.96 0.00 1.92 2.06 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.66 7.81 28 K 7.89 4.29 0.00 2.00 1.81 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.32 7.81 29 Q 8.26 4.04 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.28 1.86 0.00 30 I 8.23 3.94 2.13 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 1.69 1.34 0.99 0.00 0.00 31 D 8.08 4.35 0.00 3.05 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 32 Y 8.09 4.21 0.00 3.08 3.26 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 33 M 8.38 4.00 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.10 2.81 0.00 34 I 7.84 3.78 2.07 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 1.61 0.88 0.98 0.00 0.00 35 S 8.44 4.17 0.00 3.93 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 36 K 7.34 4.27 0.00 1.42 1.67 0.00 1.30 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 0.96 7.81 37 K 7.62 3.80 0.00 1.80 1.82 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.81 4.93 0.00 1.62 1.68 0.91 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 39 A 9.22 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.09 4.75 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.12 0.95 0.00 0.00 41 G 9.21 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 42 I 8.22 5.21 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.74 0.93 0.00 0.00 43 E 9.29 5.55 0.00 1.90 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 2.26 2.20 0.00 44 Y 9.38 6.30 0.00 3.22 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.24 4.94 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 0.98 0.00 0.00 46 N 8.57 4.99 0.00 2.72 1.90 0.00 0.00 5.74 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 47 D 7.48 4.69 0.00 2.52 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 0.00 0.00 0.00 0.00 48 I 7.57 3.95 1.68 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.39 -0.09 0.00 0.00 49 H 8.06 4.40 0.00 3.41 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.59 0.00 2.13 2.06 0.00 2.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 51 R 8.00 4.30 0.00 1.85 1.94 0.00 3.30 0.00 0.00 3.08 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 *64 N 8.00 4.88 0.00 2.72 3.02 0.00 0.00 7.29 7.96 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 65 A 8.11 3.82 0.68 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 0.00 0.00 66 Y 7.41 4.59 0.00 3.08 2.99 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 67 W 8.42 4.68 0.00 3.05 3.28 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 68 E 8.79 4.23 0.00 1.16 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 2.18 2.31 0.00 69 I 8.31 4.45 1.93 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 1.25 0.57 1.00 0.00 0.00 70 W 9.66 4.56 0.00 3.65 3.35 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 71 G 8.04 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 0.00 0.00 0.00 72 L 8.10 4.60 0.00 1.64 1.64 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.34 0.00 1.70 1.87 0.00 3.74 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 1.55 1.82 0.00 74 L 9.27 4.14 0.00 1.74 1.65 0.98 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.65 4.32 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 76 D 8.66 4.77 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.47 3.87 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 0.84 0.00 0.00 0.99 0.00 0.00 78 T 8.59 4.29 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 1.23 0.00 0.00 79 D 7.85 4.69 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.34 0.00 2.35 2.34 0.00 3.77 0.00 0.00 3.92 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 81 A 8.22 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.21 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.65 2.30 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 1.14 0.00 0.00 1.00 0.00 0.00 84 L 7.91 4.01 0.00 1.98 1.79 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.43 4.09 0.00 3.28 3.34 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 86 E 8.12 4.07 0.00 2.35 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 0.00 2.74 2.71 0.00 87 I 7.88 3.54 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.86 0.00 0.00 88 N 8.30 4.36 0.00 2.69 2.69 0.00 0.00 6.95 7.82 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 89 A 7.70 3.67 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 90 C 7.43 2.00 0.00 1.23 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 91 R 7.69 3.71 0.00 1.75 1.82 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 92 K 7.99 3.97 0.00 1.75 1.74 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.34 7.81 93 A 7.36 4.13 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.95 4.40 0.00 1.23 1.02 0.00 2.21 0.00 0.00 2.55 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 95 S 8.20 4.22 0.00 3.91 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 96 N 8.06 4.84 0.00 3.01 2.96 0.00 0.00 5.81 7.43 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 97 F 7.67 4.68 0.00 2.93 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 98 Y 8.99 4.49 0.00 2.68 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 99 I 8.91 5.50 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.88 0.95 0.00 0.00 100 K 9.64 4.96 0.00 1.60 1.76 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.00 0.97 7.81 101 V 7.93 4.56 0.67 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 0.86 0.00 0.00 0.70 0.00 0.00 102 V 8.81 4.71 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 0.88 0.00 0.00 0.74 0.00 0.00 103 G 9.07 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 0.00 0.00 0.00 104 F 9.54 5.08 0.00 3.12 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 0.00 105 S 7.72 4.78 0.00 3.77 3.38 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 0.00 106 S 8.47 4.65 0.00 3.95 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 0.00 107 V 7.58 3.57 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 0.89 0.00 0.00 0.88 0.00 0.00 107A R 8.57 3.86 0.00 1.82 1.92 0.00 3.29 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 107B G 7.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.70 4.04 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.49 0.79 0.00 0.00 109 E 7.80 3.86 0.00 2.08 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 0.00 2.31 2.44 0.00 110 S 6.61 4.92 0.00 3.96 3.65 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 0.00 111 T 8.63 4.75 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 1.29 0.00 0.00 112 I 8.33 4.56 1.87 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 1.24 0.74 0.86 0.00 0.00 113 I 7.55 4.21 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.34 1.13 0.00 0.00 114 S 8.63 5.30 0.00 3.82 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 5.34 0.00 3.30 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 0.00 116 I 8.60 4.61 2.06 0.00 0.00 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 1.50 1.04 1.19 0.00 0.00 117 V 8.58 4.57 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 0.74 0.00 0.00 0.89 0.00 0.00 118 N 7.49 4.29 0.00 2.65 2.61 0.00 0.00 6.85 7.65 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 0.00 119 R 8.28 4.40 0.00 1.65 1.48 0.00 3.51 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 120 P 0.00 4.22 0.00 1.82 1.31 0.00 2.20 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.44 0.00 121 K 8.52 4.01 0.00 1.77 1.92 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.40 7.81 122 H 7.94 4.73 0.00 3.04 3.15 0.00 5.68 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 0.00 123 E 8.43 4.65 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.37 0.00 124 P 0.00 4.21 0.00 2.09 2.04 0.00 3.68 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 2.16 2.08 0.00 125 G 8.78 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.55 5.11 0.00 2.85 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.99 4.95 0.00 1.97 2.69 0.00 0.00 6.91 6.99 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 0.00 128 L 8.41 5.04 0.00 1.68 1.59 0.93 0.98 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 0.00 129 M 9.48 4.44 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 130 R 8.64 4.29 0.00 1.65 1.78 0.00 3.25 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 131 Q 8.41 4.28 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 132 E 8.76 4.30 0.00 1.86 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 2.26 2.25 0.00 133 D 8.81 4.84 0.00 2.51 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 0.00 0.00 0.00 134 K 8.57 4.20 0.00 1.85 1.71 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.38 3.57 0.00 3.98 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 0.00 136 R 8.83 4.48 0.00 1.79 1.94 0.00 3.36 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 137 S 8.40 4.44 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.05 4.77 1.24 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 1.16 0.63 -0.10 0.00 0.00 139 K 8.70 4.32 0.00 1.60 1.72 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.51 7.81 140 Y 8.54 5.09 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.74 4.69 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 1.26 0.00 0.00 142 I 8.52 4.88 1.68 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 1.12 0.49 0.43 0.00 0.00 143 H 8.94 4.97 0.00 3.10 2.93 0.00 5.58 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.58 4.38 0.00 3.50 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.15 4.51 0.00 3.04 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 0.00 146 E 8.04 3.84 0.00 1.57 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 1.87 1.47 0.00 147 S 7.39 4.26 0.00 3.61 3.65 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 0.00 148 Y 7.89 4.34 0.00 3.24 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 0.00 149 K 7.16 4.67 0.00 1.71 1.71 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.37 7.81 150 P 0.00 4.44 0.00 2.39 2.19 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 151 E 8.88 3.84 0.00 2.12 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 2.61 2.39 0.00 152 D 8.19 4.63 0.00 2.84 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 0.00 153 E 8.42 4.61 0.00 2.07 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 2.24 2.25 0.00 154 R 7.93 4.28 0.00 1.78 1.64 0.00 3.35 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 155 Y 8.58 3.98 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.