NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.1637 8.3544 109.7835 45.2704 0.0000 173.0359 3 F 3.9637 8.6702 123.6343 55.3768 39.4269 173.8426 4 K 4.2704 8.6588 128.3645 56.3982 34.2808 176.1668 5 G 3.4822 5.4676 104.9899 44.5992 0.0000 174.2549 6 V 3.9391 8.3076 114.1430 61.0851 32.3142 176.2077 7 G 3.9891 7.4707 109.9579 45.1373 0.0000 170.9180 8 T 5.0890 7.4325 115.9015 62.4961 70.3642 174.1350 9 Y 5.4057 9.1389 122.3236 56.5432 43.1522 174.0173 10 E 4.8633 9.3241 121.5426 55.8662 31.6454 175.5070 11 I 4.4631 8.4848 123.9822 59.4881 39.9441 174.4928 12 V 4.9159 8.8493 127.9893 60.1079 34.4255 172.9280 13 P 3.6752 0.0000 0.0000 62.6055 31.8364 176.4494 14 Y 4.0229 8.0404 125.4324 61.0048 38.6221 177.6189 15 Q 3.9309 8.0931 115.7524 57.7495 29.7537 176.2292 16 A 4.6329 7.6830 120.9970 49.8652 18.9505 174.7955 17 P 4.4999 0.0000 0.0000 63.6271 32.2799 178.4209 18 S 4.3476 7.9748 113.5296 59.3516 63.4097 172.9874 19 L 5.4994 7.8969 120.7242 53.2158 45.4010 174.6168 20 N 5.3451 9.2318 117.3712 51.2811 41.4751 172.8515 21 L 4.7384 9.0472 121.6488 54.8826 43.3912 175.0417 22 N 5.5855 9.5228 124.4060 51.8382 42.8323 172.8686 23 A 4.8794 9.0780 128.6618 50.9386 19.5691 176.6839 24 W 4.2228 9.0668 134.0754 59.2588 31.0148 176.3371 25 E 3.5366 8.1311 124.4737 55.2433 27.1023 174.3254 26 G 3.8296 7.5487 106.1467 46.3628 0.0000 173.8721 27 K 4.5002 7.8888 116.9158 54.7295 33.9597 177.0897 28 L 4.2850 8.2144 118.8281 55.6466 42.1340 177.3548 29 E 4.1116 8.0329 120.7113 55.0966 30.1102 174.6237 30 P 3.8925 0.0000 0.0000 63.3591 31.8871 176.4010 31 G 3.8972 8.6312 107.9826 44.6921 0.0000 173.7943 32 A 4.2102 7.9425 121.7028 52.4050 19.5021 178.2141 33 V 4.4439 8.5387 114.4463 61.1294 33.9209 175.0201 34 V 5.0539 8.3807 121.4869 61.5155 34.0978 174.7231 35 R 5.3102 9.0657 125.4427 54.4003 35.2337 174.5440 36 T 4.8949 8.9613 111.0365 62.5134 70.3268 172.9793 37 Y 5.5106 9.1058 122.6521 56.7182 43.0062 173.7731 38 T 3.9130 7.7585 119.6178 64.6384 68.3804 174.4181 39 R 3.9320 8.6242 125.7218 58.1730 30.4115 177.9444 40 G 3.8633 7.9795 104.0861 44.5517 0.0000 172.0764 41 D 4.5240 8.5316 116.6987 54.7679 40.0539 176.9581 42 K 4.5997 7.6942 118.1955 53.2176 34.9428 174.1371 43 P 4.4862 0.0000 0.0000 62.3069 32.2682 176.4018 44 S 4.4056 8.3400 114.7703 57.9091 64.0254 174.9940 45 D 4.2599 8.4438 121.1418 57.0618 40.9245 178.0646 46 N 4.4995 8.0232 115.0330 54.0907 37.6996 175.4789 47 A 5.2307 7.7685 120.3653 50.7078 20.0720 175.9924 48 K 4.9162 7.6110 117.0774 55.7869 36.0870 175.5074 49 W 5.3483 9.2101 122.6178 55.0173 33.4529 174.1036 50 Q 4.7377 9.5509 127.0037 55.4022 30.0291 174.6593 51 V 4.6708 9.2633 128.3511 62.2335 33.0267 174.4701 52 A 5.1080 9.2103 130.2615 49.8065 21.6817 174.7018 53 L 4.3449 8.9328 125.5858 55.5028 42.2544 176.8683 54 V 4.4727 8.6219 118.1949 61.5260 34.3320 175.5073 55 A 4.3493 7.8086 120.1011 51.9393 22.5313 178.0727 56 G 3.6471 9.6260 107.8548 46.4202 0.0000 172.7397 57 S 4.2855 8.6460 109.1507 58.7151 65.5646 175.3276 58 G 3.8673 8.6845 112.0739 45.8750 0.0000 171.8676 59 D 4.6341 8.5328 118.2991 54.6037 40.6372 177.6419 60 S 4.7242 8.7346 124.1343 57.1269 63.3133 174.3784 61 A 4.1348 7.6935 121.9503 53.4085 18.9625 178.1261 62 E 4.8125 8.8944 121.9197 54.6676 32.9849 174.8937 63 Y 5.2808 8.9872 120.2338 56.2295 42.5180 174.7413 64 L 4.6970 8.8816 122.3519 54.4074 43.8202 176.2562 65 I 4.8397 8.6220 122.8967 59.9150 39.3496 173.7289 66 I 5.1619 9.0568 129.0417 59.2492 39.4128 175.0327 67 N 3.7758 9.4584 127.3303 53.5334 39.1370 175.8165 68 V 3.4864 8.1828 127.2077 66.5438 31.7376 177.0317 69 H 4.2811 8.3148 119.2783 58.8221 29.9270 175.9824 70 S 4.0724 7.9447 111.6418 57.8872 63.6255 175.3888 71 G 3.7438 7.9537 107.7896 45.6650 0.0000 172.9667 72 Y 4.4139 7.3671 117.6110 57.2070 39.9862 174.3086 73 F 5.6954 8.3055 119.9494 55.8906 41.0179 175.1765 74 L 4.5621 9.2280 126.1682 56.3939 43.0130 175.9892 75 T 5.2866 9.3342 121.6592 62.0429 73.2406 172.5231 76 A 5.0010 8.6464 127.7801 51.1645 19.8592 176.8509 77 T 4.3177 8.7100 112.0393 62.7192 70.4859 175.2645 78 K 4.5947 7.4277 119.6423 53.6935 36.2202 175.1470 79 E 4.1865 8.6702 122.7891 57.6060 30.0452 175.8073 80 N 4.2586 9.2218 122.6096 54.9246 38.3070 173.0641 81 H 5.0826 7.7422 111.4495 52.7740 33.0283 173.0900 82 I 4.3025 8.3627 120.3272 61.6381 38.7796 175.9784 83 V 4.4585 8.7973 122.1501 61.3218 33.6997 174.8410 84 S 5.1693 8.8054 116.2275 57.7018 66.9905 173.5585 85 T 5.7686 8.8644 108.3565 58.5555 67.4611 171.5756 86 P 4.6576 0.0000 0.0000 62.6962 33.3578 177.1284 87 Q 3.8313 7.9441 121.7730 55.8419 29.3275 174.9370 88 I 4.5323 7.6946 123.6496 59.3584 41.2662 173.8878 89 S 4.3940 8.6292 120.3952 57.6507 62.7602 173.4304 90 P 4.4281 0.0000 0.0000 65.0252 31.1892 176.8811 91 T 4.2762 7.6385 108.1074 61.4805 69.6306 174.3411 92 D 4.4479 8.0242 124.6630 53.4853 41.7413 175.1899 93 P 4.2630 0.0000 0.0000 65.2977 31.8012 178.1615 94 S 4.1633 8.4241 113.2830 59.9535 63.0579 174.7734 95 A 4.9036 7.7595 121.7700 51.0860 19.5920 176.7104 96 R 4.9024 7.5833 116.0681 54.6020 33.3043 175.2922 97 W 5.6711 9.1756 121.3580 55.2964 33.9643 174.1771 98 T 5.0565 9.2244 113.1365 60.1715 71.3278 173.3968 99 I 4.8674 8.3865 123.4170 59.6164 39.7206 174.9845 100 K 4.8344 8.8372 126.2864 53.5393 36.1062 174.3400 101 P 4.2200 0.0000 0.0000 62.9387 31.2698 176.5606 102 A 4.0994 8.7630 127.8329 54.8279 18.5946 178.6844 103 T 4.2330 7.3824 101.4697 62.4705 71.0481 174.2147 *108 E 4.3941 7.6246 120.5173 54.0618 31.6595 174.6705 109 V 4.5579 7.2029 114.5592 61.0302 35.3845 174.5614 110 F 5.3653 9.2208 125.1524 55.9813 43.5623 173.9557 111 T 5.1424 9.0300 111.6533 60.4959 71.7950 173.8546 112 I 4.6424 8.3377 122.7629 59.9334 40.2938 173.8154 113 N 5.4009 9.2664 125.7566 51.0233 41.0554 174.3217 114 N 3.9389 9.0894 123.5319 53.0872 39.1215 174.9389 115 K 3.8962 8.3918 127.1146 59.2176 33.2302 176.9647 116 V 3.8057 8.0750 120.8582 61.5618 30.8297 176.3046 117 S 4.0615 8.5536 123.7486 61.1493 62.9937 176.4481 118 E 4.0018 8.0614 120.4460 58.4784 29.5009 177.3496 119 L 4.1541 7.8546 117.7642 55.2750 42.8202 178.6283 120 G 3.9314 8.2162 106.2655 44.7827 0.0000 171.8196 121 Q 5.2828 8.6733 118.6874 53.9391 32.9031 175.1937 122 L 4.7174 8.8590 120.5850 55.4031 42.8154 176.7135 123 T 4.9561 9.0618 119.8309 61.9815 73.2171 173.1546 124 V 4.1251 8.6614 127.2572 61.7250 32.9985 175.4180 125 K 3.7517 9.0968 130.0763 58.2221 32.4053 176.2295 126 D 4.7253 9.1213 124.0591 55.4665 38.2577 172.8920 127 Y 3.5796 7.4174 113.4564 58.7557 36.1742 171.2829 128 S 4.3152 7.8732 112.8184 58.8034 63.0018 173.5841 129 T 4.5219 8.5470 115.5567 61.5313 68.9289 173.3834 130 H 4.9029 7.8285 118.3492 53.7797 31.6169 174.1629 131 S 4.1459 8.4028 116.3798 60.3139 62.6290 174.9865 132 G 4.0609 9.5470 114.8594 45.3456 0.0000 172.9176 133 A 4.3241 7.8778 121.5754 50.9499 19.9508 177.7029 134 D 4.5430 8.7068 122.0753 54.5622 42.4257 175.4160 135 V 4.7253 8.4526 123.0531 61.5417 33.3020 174.9922 136 L 5.1064 9.2744 128.1731 53.4341 44.9940 175.4120 137 S 5.2727 8.7573 115.4393 56.9479 63.9338 172.7605 138 A 5.1973 8.9668 128.4716 49.8024 22.8433 175.2049 139 S 4.5098 9.0172 115.8304 58.3950 63.6881 174.8051 140 A 4.6352 8.5524 125.7587 52.3267 18.5584 177.5007 141 K 4.5689 9.0327 120.6272 55.1083 33.8205 176.2872 142 T 3.3826 7.9327 106.9514 62.4951 67.7216 171.7342 143 A 4.7309 7.7895 122.3352 51.7738 20.9301 178.8784 144 D 4.3500 8.6454 119.8478 57.0178 41.2944 177.9419 145 N 4.5169 8.0932 114.8452 53.4654 37.4357 175.4559 146 Q 5.1775 7.7512 116.2195 54.9807 30.1094 175.2222 147 K 4.7945 7.3853 119.4061 54.5097 34.9696 175.4109 148 W 5.4805 8.9975 122.1972 55.3970 33.8919 173.8015 149 Y 5.2979 9.3591 120.6489 56.8389 40.1690 174.7066 150 F 5.0461 9.2836 120.5784 56.0110 41.4394 174.5377 151 D 5.1819 9.3227 124.8052 52.2110 42.8570 175.9436 152 A 4.3170 8.9084 126.2517 51.9316 19.3316 177.2140 153 K 4.1877 8.6079 120.6547 56.6499 33.0161 176.3663 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 2 G 8.35 4.16 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 0.00 3 F 8.67 3.96 0.00 1.51 1.66 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 4 K 8.66 4.27 0.00 1.75 1.75 0.00 1.67 0.00 0.00 2.00 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.43 7.81 5 G 5.47 3.48 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 0.00 0.00 0.00 6 V 8.31 3.94 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 0.95 0.00 0.00 0.96 0.00 0.00 7 G 7.47 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 8 T 7.43 5.09 4.31 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 1.22 0.00 0.00 9 Y 9.14 5.41 0.00 3.05 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 10 E 9.32 4.86 0.00 2.06 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 2.54 2.38 0.00 11 I 8.48 4.46 1.44 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.65 0.08 0.00 0.00 12 V 8.85 4.92 2.34 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 1.12 0.00 0.00 1.10 0.00 0.00 13 P 0.00 3.68 0.00 1.84 1.65 0.00 4.09 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.98 0.00 14 Y 8.04 4.02 0.00 2.50 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 15 Q 8.09 3.93 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 16 A 7.68 4.63 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 17 P 0.00 4.50 0.00 2.11 2.14 0.00 3.70 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 18 S 7.97 4.35 0.00 4.00 4.11 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 19 L 7.90 5.50 0.00 1.63 1.79 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 20 N 9.23 5.35 0.00 3.04 3.01 0.00 0.00 7.03 6.23 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 21 L 9.05 4.74 0.00 1.85 1.59 0.66 -0.42 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 22 N 9.52 5.59 0.00 3.01 3.05 0.00 0.00 6.69 7.49 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 23 A 9.08 4.88 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 24 W 9.07 4.22 0.00 3.45 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 25 E 8.13 3.54 0.00 2.13 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 0.00 1.99 2.24 0.00 26 G 7.55 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 0.00 0.00 0.00 27 K 7.89 4.50 0.00 1.78 1.77 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.39 7.81 28 L 8.21 4.28 0.00 1.64 1.69 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.03 4.11 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 30 P 0.00 3.89 0.00 1.72 0.49 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 31 G 8.63 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 32 A 7.94 4.21 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 33 V 8.54 4.44 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 0.73 0.00 0.00 0.88 0.00 0.00 34 V 8.38 5.05 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 1.04 0.00 0.00 1.16 0.00 0.00 35 R 9.07 5.31 0.00 1.86 1.76 0.00 2.21 0.00 0.00 2.65 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.27 0.00 36 T 8.96 4.89 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 1.34 0.00 0.00 37 Y 9.11 5.51 0.00 3.29 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 38 T 7.76 3.91 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 1.08 0.00 0.00 39 R 8.62 3.93 0.00 1.86 2.02 0.00 3.53 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 40 G 7.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.53 4.52 0.00 2.80 2.80 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 42 K 7.69 4.60 0.00 1.71 1.72 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.32 7.81 43 P 0.00 4.49 0.00 2.21 2.27 0.00 3.78 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 2.00 2.00 0.00 44 S 8.34 4.41 0.00 4.00 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 45 D 8.44 4.26 0.00 2.65 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 46 N 8.02 4.50 0.00 2.74 2.90 0.00 0.00 5.96 7.00 0.00 0.00 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 A 7.77 5.23 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 48 K 7.61 4.92 0.00 1.54 1.65 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.54 7.81 49 W 9.21 5.35 0.00 3.29 3.11 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 50 Q 9.55 4.74 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 51 V 9.26 4.67 2.36 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 0.52 0.00 0.00 1.11 0.00 0.00 52 A 9.21 5.11 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 53 L 8.93 4.34 0.00 1.80 1.64 0.57 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.62 4.47 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 0.67 0.00 0.00 0.91 0.00 0.00 55 A 7.81 4.35 1.13 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 0.00 0.00 56 G 9.63 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 0.00 0.00 0.00 57 S 8.65 4.29 0.00 3.95 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 58 G 8.68 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 59 D 8.53 4.63 0.00 2.68 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 60 S 8.73 4.72 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 61 A 7.69 4.13 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 62 E 8.89 4.81 0.00 1.74 1.72 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 2.14 2.15 0.00 63 Y 8.99 5.28 0.00 2.92 2.85 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 64 L 8.88 4.70 0.00 1.52 1.35 0.30 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.62 4.84 1.63 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.81 0.63 0.00 0.00 66 I 9.06 5.16 2.06 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 1.32 0.74 1.21 0.00 0.00 67 N 9.46 3.78 0.00 2.49 2.56 0.00 0.00 6.41 7.26 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 68 V 8.18 3.49 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 0.70 0.00 0.00 0.91 0.00 0.00 69 H 8.31 4.28 0.00 2.94 3.38 0.00 5.96 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 7.94 4.07 0.00 3.98 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 71 G 7.95 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 72 Y 7.37 4.41 0.00 2.97 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 73 F 8.31 5.70 0.00 3.09 3.04 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 74 L 9.23 4.56 0.00 1.72 1.51 0.62 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 75 T 9.33 5.29 4.37 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 1.27 0.00 0.00 76 A 8.65 5.00 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 77 T 8.71 4.32 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 1.23 0.00 0.00 78 K 7.43 4.59 0.00 1.48 1.49 0.00 1.31 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.31 7.81 79 E 8.67 4.19 0.00 2.05 1.87 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 2.32 2.41 0.00 80 N 9.22 4.26 0.00 2.83 2.86 0.00 0.00 6.97 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 81 H 7.74 5.08 0.00 3.25 3.16 0.00 5.87 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 82 I 8.36 4.30 1.86 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 1.35 0.90 0.93 0.00 0.00 83 V 8.80 4.46 2.28 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 0.95 0.00 0.00 0.89 0.00 0.00 84 S 8.81 5.17 0.00 4.03 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 85 T 8.86 5.77 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 86 P 0.00 4.66 0.00 2.03 2.06 0.00 4.09 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 2.01 1.99 0.00 87 Q 7.94 3.83 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 88 I 7.69 4.53 1.91 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 1.40 0.81 1.12 0.00 0.00 89 S 8.63 4.39 0.00 3.95 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 P 0.00 4.43 0.00 2.20 2.18 0.00 3.95 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 2.06 2.09 0.00 91 T 7.64 4.28 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 1.22 0.00 0.00 92 D 8.02 4.45 0.00 2.81 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 93 P 0.00 4.26 0.00 2.15 2.22 0.00 3.71 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 2.00 1.90 0.00 94 S 8.42 4.16 0.00 4.15 4.07 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 0.00 0.00 0.00 95 A 7.76 4.90 1.48 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 0.00 0.00 96 R 7.58 4.90 0.00 1.75 1.71 0.00 3.00 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 97 W 9.18 5.67 0.00 3.23 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 98 T 9.22 5.06 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 1.28 0.00 0.00 99 I 8.39 4.87 0.97 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.45 -0.58 0.00 0.00 100 K 8.84 4.83 0.00 1.70 1.69 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.57 7.81 101 P 0.00 4.22 0.00 1.87 1.82 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 102 A 8.76 4.10 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 0.00 0.00 0.00 0.00 0.00 103 T 7.38 4.23 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 1.12 0.00 0.00 *108 E 7.62 4.39 0.00 2.03 1.79 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 2.29 2.44 0.00 109 V 7.20 4.56 1.78 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 0.42 0.00 0.00 0.83 0.00 0.00 110 F 9.22 5.37 0.00 3.20 2.91 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 0.00 111 T 9.03 5.14 4.33 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 1.29 0.00 0.00 112 I 8.34 4.64 1.38 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.75 0.38 0.00 0.00 113 N 9.27 5.40 0.00 2.67 2.76 0.00 0.00 6.34 6.53 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 0.00 114 N 9.09 3.94 0.00 2.33 2.60 0.00 0.00 7.19 6.65 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 0.00 115 K 8.39 3.90 0.00 1.62 1.87 0.00 1.90 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.31 7.81 116 V 8.07 3.81 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 0.93 0.00 0.00 0.81 0.00 0.00 117 S 8.55 4.06 0.00 4.02 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 E 8.06 4.00 0.00 1.93 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 2.28 2.32 0.00 119 L 7.85 4.15 0.00 1.69 1.64 0.92 1.05 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 0.00 120 G 8.22 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 0.00 121 Q 8.67 5.28 0.00 2.32 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 122 L 8.86 4.72 0.00 1.25 1.37 -0.38 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 123 T 9.06 4.96 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 1.10 0.00 0.00 124 V 8.66 4.13 1.93 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 0.95 0.00 0.00 0.75 0.00 0.00 125 K 9.10 3.75 0.00 1.85 1.71 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.42 7.81 126 D 9.12 4.73 0.00 2.91 2.81 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 0.00 127 Y 7.42 3.58 0.00 2.97 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 0.00 128 S 7.87 4.32 0.00 3.97 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 0.00 129 T 8.55 4.52 4.17 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 1.27 0.00 0.00 130 H 7.83 4.90 0.00 3.15 3.27 0.00 5.87 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 0.00 131 S 8.40 4.15 0.00 3.80 3.78 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 0.00 132 G 9.55 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 0.00 133 A 7.88 4.32 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 0.00 134 D 8.71 4.54 0.00 2.58 2.57 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 0.00 135 V 8.45 4.73 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.15 0.00 0.00 136 L 9.27 5.11 0.00 1.61 1.67 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 137 S 8.76 5.27 0.00 4.09 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.97 5.20 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 0.00 139 S 9.02 4.51 0.00 3.78 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 0.00 140 A 8.55 4.64 1.30 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 0.00 141 K 9.03 4.57 0.00 1.80 1.80 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.50 7.81 142 T 7.93 3.38 4.22 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 1.21 0.00 0.00 143 A 7.79 4.73 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 0.00 144 D 8.65 4.35 0.00 2.88 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 0.00 145 N 8.09 4.52 0.00 2.55 2.90 0.00 0.00 6.10 7.80 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 0.00 146 Q 7.75 5.18 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.04 0.00 147 K 7.39 4.79 0.00 1.31 1.14 0.00 0.86 0.00 0.00 0.84 0.00 0.00 2.60 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.08 1.29 7.81 148 W 9.00 5.48 0.00 3.21 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 0.00 149 Y 9.36 5.30 0.00 2.96 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 0.00 150 F 9.28 5.05 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 D 9.32 5.18 0.00 2.71 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 0.00 152 A 8.91 4.32 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 0.00 153 K 8.61 4.19 0.00 1.58 1.64 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.61 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.