NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8032 8.3549 109.7384 45.5779 0.0000 174.0775 *2 R 4.4851 8.4160 122.0898 55.0886 33.6785 175.9569 3 G 4.4960 8.5033 106.8481 44.0898 0.0000 171.8060 4 L 5.2717 9.2619 125.9892 53.3406 44.9099 174.8964 5 I 4.9477 9.0551 128.4308 59.6399 39.5553 175.2058 6 V 4.8313 8.7349 126.6041 60.8912 35.1716 174.5177 7 D 4.7270 8.5632 126.2111 53.9837 42.4332 174.7142 8 Y 4.0927 8.6291 120.9059 58.9098 39.8198 174.6343 9 A 4.5659 7.1858 122.7689 53.0131 19.1793 177.9625 10 G 4.0392 9.4858 111.2137 46.5560 0.0000 173.4641 11 V 3.5121 7.1628 115.9335 63.8835 33.0480 176.1053 12 L 4.0337 7.5181 116.3564 54.3185 42.0994 176.6221 13 D 4.7682 7.2348 119.1576 52.7199 40.3901 176.0648 14 G 4.1934 7.7525 113.3028 46.3253 0.0000 174.6133 15 T 4.0926 8.3338 112.2723 61.7631 70.7803 174.8042 16 D 4.3345 8.5512 121.0128 57.2882 40.8245 178.4476 17 E 3.8740 8.1646 119.3702 59.7099 29.5889 178.6414 18 D 4.1928 8.1237 118.6537 57.2925 40.7958 178.8649 19 Q 4.1064 8.5053 119.0985 58.9054 28.6973 178.7146 20 R 3.8990 8.1397 119.7274 59.5423 30.0842 178.7777 21 R 3.8097 7.7401 117.6742 59.0591 29.9124 179.1204 22 W 4.2823 8.3746 118.9531 59.8783 28.9381 178.8201 23 R 4.1542 8.4957 118.2656 59.2957 29.4565 178.9251 24 N 4.4675 8.3531 116.4623 56.1751 38.5355 177.3120 25 L 3.3557 8.2465 121.8383 58.0362 42.1287 179.0564 26 L 4.0483 8.6418 119.2138 57.6560 41.5537 179.3320 27 A 3.9957 8.4792 120.9188 55.0220 18.3982 179.5396 28 A 3.9987 8.3152 119.0997 55.1776 18.4850 179.5539 29 A 3.7346 8.1969 119.6667 55.1802 18.3795 179.4636 30 K 3.7429 8.0969 118.0956 59.9767 32.0014 179.0423 31 K 4.0006 7.9824 116.8377 59.0702 31.9926 178.0872 32 N 4.7820 7.8112 114.1968 52.8220 38.6892 175.8768 33 G 3.8624 7.9960 108.7989 45.4833 0.0000 173.6247 34 V 3.9354 7.6793 120.2734 62.0775 32.1338 176.2645 35 G 3.9853 8.9662 116.1267 46.2820 0.0000 172.3687 36 T 5.2763 9.1484 113.5448 59.6174 71.8536 173.0061 37 V 4.7509 8.8276 125.0941 61.1055 35.4751 173.9270 38 I 4.6518 8.7043 128.8302 60.1417 38.4759 174.3742 39 L 5.0875 8.8695 129.6095 53.3897 44.3344 174.8230 40 S 5.3046 8.7117 121.2522 55.3994 65.7056 172.7687 41 N 4.9016 8.8795 124.5991 53.2498 38.5416 173.7728 42 D 4.6546 8.7512 122.5223 52.4694 44.7813 174.7895 43 P 4.1362 0.0000 0.0000 63.6801 32.0605 177.7078 44 G 3.8190 8.6583 106.5011 45.6475 0.0000 173.4682 45 G 3.7492 9.0154 108.2162 45.6110 0.0000 174.6800 46 L 3.8771 8.5640 119.5182 58.0895 42.3366 180.3799 47 G 3.6082 8.1007 105.8969 47.8535 0.0000 174.1031 48 A 4.4260 8.1087 121.1600 51.8843 18.9445 178.2441 49 A 3.8866 7.8406 124.4450 56.1262 18.0951 178.8797 50 P 4.1259 0.0000 0.0000 65.7310 31.6488 178.6847 51 I 3.3291 7.1428 117.9953 64.2150 37.1528 178.2816 52 R 3.8447 7.8951 119.4482 59.3354 29.7387 178.0926 53 E 3.9614 8.3854 118.7666 59.6226 29.4156 179.4140 54 L 4.0203 7.8721 118.7408 57.3272 41.5765 179.2253 55 E 4.1729 7.9970 120.9176 58.8396 29.4504 178.7137 56 T 3.8255 7.7939 113.8731 66.8756 68.5595 174.8132 57 N 4.5241 8.4373 115.6872 53.2365 38.5904 176.1460 58 G 3.9311 8.0800 106.6042 45.6667 0.0000 175.1070 59 V 3.7240 7.8617 120.0722 64.9934 31.4720 176.1769 60 V 4.6036 7.6028 111.1985 59.1578 35.1101 176.1970 61 D 4.4882 8.5438 121.5188 57.2835 41.1805 177.4588 62 K 4.8486 8.1420 116.0344 54.8465 37.1585 175.5088 63 V 4.7185 9.0021 123.7937 61.0775 33.8062 174.6823 64 L 4.8538 9.1994 127.7166 52.8415 45.1171 175.3966 65 L 5.2255 8.2742 122.6759 52.6815 44.8366 177.5797 66 S 4.2986 8.6218 118.7263 60.7118 62.9515 177.1093 67 G 3.8346 8.0447 108.3326 47.0626 0.0000 174.0989 68 E 4.3100 7.9580 118.6080 58.0012 30.3082 177.6905 69 L 3.9903 7.7585 117.9283 55.7299 41.8977 178.2107 70 G 3.9717 8.7498 105.0109 45.3905 0.0000 173.2507 71 V 4.6359 7.1553 111.6834 59.4556 35.9266 173.9262 72 E 4.6051 8.9067 118.5924 54.0029 32.6733 175.4021 73 K 3.9884 8.5435 119.9765 56.1907 32.4930 175.0763 74 P 4.8278 0.0000 0.0000 62.8296 32.0112 175.9056 75 E 4.0967 8.0129 119.1288 56.7628 30.1350 177.7914 76 E 4.1483 9.0013 122.8538 59.5918 29.7132 179.0854 77 A 4.0572 8.0497 119.9820 54.9868 18.4021 179.4154 78 A 3.8056 7.6048 119.2402 55.3335 18.4810 179.9054 79 F 4.3682 7.3675 115.8476 60.7360 38.9677 177.5242 80 Q 4.0376 8.7303 119.5492 59.0639 28.7999 178.1963 81 A 3.9619 8.1742 121.6990 54.9769 18.5653 179.5101 82 A 3.9206 7.9654 118.5994 55.1989 18.5308 179.6270 83 A 4.0726 8.1405 119.2807 55.5911 18.5106 179.5554 84 D 4.3273 8.4717 117.3812 57.5344 40.6585 178.8825 85 A 4.1313 8.0205 120.5802 54.0677 18.2919 178.1697 86 I 4.2996 6.9714 107.3583 60.1547 37.9295 175.1680 87 D 4.4571 8.0143 118.2557 56.1361 38.5477 173.5913 88 L 5.0326 7.8422 116.4846 52.0407 46.7369 177.6857 89 P 4.7877 0.0000 0.0000 62.3213 30.4776 179.8669 *91 R 4.8666 8.4320 111.4088 55.9012 31.1598 175.7529 92 D 4.7438 8.0690 117.6991 54.3926 41.3229 175.1154 93 C 5.4138 7.7411 117.2999 57.9320 31.9494 172.6611 94 V 4.8560 8.7944 122.1702 61.2164 33.5999 173.9789 95 L 5.1273 8.8348 130.3838 53.4741 44.2640 174.8758 96 V 5.0110 8.9179 126.9296 61.3704 33.6420 173.7500 97 D 5.1459 8.8788 126.5906 53.0266 45.2044 175.1971 98 D 5.1156 8.9669 122.1829 53.1436 40.3779 175.2412 99 S 4.6867 8.7004 116.5015 56.9110 63.8991 174.1441 100 I 3.5697 8.4304 129.3973 64.1479 37.7316 177.6361 101 L 4.0492 7.8974 119.4203 57.9251 41.4372 179.1042 102 N 4.5487 8.1097 116.0177 56.1712 38.5072 177.5890 103 V 3.5655 8.0088 119.8577 65.9290 31.5820 178.1379 104 R 3.9360 8.5188 119.1214 59.3350 29.9907 178.6101 105 G 3.7339 8.4202 105.5039 47.7409 0.0000 175.5096 106 A 3.0175 8.0013 123.1149 54.6129 18.3549 179.8089 107 V 3.8394 7.6748 118.2067 65.7626 31.3494 178.0988 108 E 3.9964 8.2509 117.0840 59.0869 29.3790 178.4565 109 A 4.3071 7.6177 118.4194 52.6552 19.1917 178.1222 110 G 3.8971 8.0940 106.5676 44.5964 0.0000 173.7348 111 L 4.6327 7.7208 120.0439 54.0889 43.5144 176.0370 112 V 3.9132 8.4544 121.0573 62.4257 32.6571 174.9405 113 G 4.3970 8.5961 114.7437 44.5745 0.0000 172.8937 114 V 4.5433 8.8956 123.3081 60.9194 34.5822 173.6609 115 Y 5.0014 8.8698 129.8539 57.4365 39.7873 173.8454 116 Y 4.2120 8.8694 129.1152 56.4774 39.2923 175.1131 117 Q 4.1008 7.9670 127.9452 56.4410 31.5299 176.1631 118 Q 4.3062 6.8649 114.2189 53.1555 32.7411 174.9962 119 F 3.8292 8.7488 124.2889 61.8097 39.2177 177.2518 120 D 4.3957 8.0881 116.7186 57.1973 40.3587 178.4864 121 R 3.9390 7.3596 117.7034 59.3634 30.2439 178.3476 122 A 3.9574 7.6403 120.8388 55.0680 18.2504 179.9583 123 V 3.1100 7.5144 117.8885 64.5812 31.2224 178.8543 124 V 3.5215 7.2964 117.9736 65.8198 31.2981 177.9278 125 E 3.9003 7.9627 117.7482 59.4048 29.4587 179.2184 126 I 3.7426 7.6995 119.7388 64.4786 37.2061 178.6668 127 V 3.7198 8.0260 119.4320 65.9947 31.0997 178.3283 128 G 3.5779 7.8758 104.5413 47.7582 0.0000 175.4498 129 L 3.9487 7.9373 120.6353 56.6947 41.6752 178.6043 130 F 4.7445 7.8531 114.7256 56.0770 39.8332 175.9049 131 G 3.9227 8.1051 106.6108 46.4960 0.0000 174.1734 132 L 4.3381 8.0805 118.4960 54.1542 42.5640 176.5817 133 E 4.5649 8.4198 121.4387 55.8794 31.2679 175.3325 134 G 3.7405 8.5220 107.7169 44.4907 0.0000 172.7643 135 E 4.6606 7.9971 118.0203 54.2496 32.0032 176.6241 136 F 4.3990 8.8144 120.5897 57.6804 39.6012 175.1193 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 0 G 8.35 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 *2 R 8.42 4.49 0.00 1.84 2.08 0.00 3.34 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 3 G 8.50 4.50 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 0.00 4 L 9.26 5.27 0.00 1.41 1.39 1.14 0.90 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 5 I 9.06 4.95 1.95 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 1.17 0.59 1.01 0.00 0.00 6 V 8.73 4.83 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 0.32 0.00 0.00 0.89 0.00 0.00 7 D 8.56 4.73 0.00 2.91 2.42 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 8 Y 8.63 4.09 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.19 4.57 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 10 G 9.49 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 0.00 0.00 0.00 11 V 7.16 3.51 1.75 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 -0.23 0.00 0.00 0.61 0.00 0.00 12 L 7.52 4.03 0.00 1.04 1.32 0.74 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.23 4.77 0.00 2.58 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 0.00 0.00 0.00 14 G 7.75 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 0.00 0.00 0.00 15 T 8.33 4.09 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 1.23 0.00 0.00 16 D 8.55 4.33 0.00 2.71 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 17 E 8.16 3.87 0.00 2.00 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 2.29 2.36 0.00 18 D 8.12 4.19 0.00 2.82 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 19 Q 8.51 4.11 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 20 R 8.14 3.90 0.00 1.98 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 21 R 7.74 3.81 0.00 0.95 0.94 0.00 2.93 0.00 0.00 2.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 22 W 8.37 4.28 0.00 3.66 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 23 R 8.50 4.15 0.00 2.07 2.05 0.00 3.17 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 24 N 8.35 4.47 0.00 3.15 3.19 0.00 0.00 6.63 6.90 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 25 L 8.25 3.36 0.00 1.64 1.72 0.09 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.64 4.05 0.00 1.87 1.77 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.48 4.00 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 28 A 8.32 4.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.20 3.73 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.10 3.74 0.00 1.91 2.03 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 31 K 7.98 4.00 0.00 2.05 1.89 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.63 7.81 32 N 7.81 4.78 0.00 2.94 2.87 0.00 0.00 7.10 7.51 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 33 G 8.00 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 34 V 7.68 3.94 1.81 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 0.19 0.00 0.00 0.73 0.00 0.00 35 G 8.97 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 36 T 9.15 5.28 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 1.14 0.00 0.00 37 V 8.83 4.75 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.01 0.00 0.00 38 I 8.70 4.65 1.83 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 1.05 0.36 0.90 0.00 0.00 39 L 8.87 5.09 0.00 1.76 1.56 0.87 0.53 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 40 S 8.71 5.30 0.00 3.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.88 4.90 0.00 2.65 2.78 0.00 0.00 6.78 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 42 D 8.75 4.65 0.00 2.77 2.41 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 43 P 0.00 4.14 0.00 2.20 2.07 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 44 G 8.66 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 45 G 9.02 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 0.00 0.00 0.00 46 L 8.56 3.88 0.00 1.71 1.66 0.90 0.93 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 47 G 8.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.11 4.43 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 49 A 7.84 3.89 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 50 P 0.00 4.13 0.00 1.92 2.13 0.00 3.51 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 51 I 7.14 3.33 1.62 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.15 0.53 0.00 0.00 52 R 7.90 3.84 0.00 1.91 1.96 0.00 3.07 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 53 E 8.39 3.96 0.00 2.27 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 2.32 2.34 0.00 54 L 7.87 4.02 0.00 1.77 1.72 1.04 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.00 4.17 0.00 2.02 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 2.28 2.33 0.00 56 T 7.79 3.83 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 1.20 0.00 0.00 57 N 8.44 4.52 0.00 2.78 2.85 0.00 0.00 7.14 7.30 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 58 G 8.08 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 59 V 7.86 3.72 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 0.87 0.00 0.00 0.96 0.00 0.00 60 V 7.60 4.60 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 0.80 0.00 0.00 1.02 0.00 0.00 61 D 8.54 4.49 0.00 2.78 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 62 K 8.14 4.85 0.00 1.56 1.62 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.65 7.81 63 V 9.00 4.72 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 64 L 9.20 4.85 0.00 1.62 1.48 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.27 5.23 0.00 1.50 1.47 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.62 4.30 0.00 4.03 4.21 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 67 G 8.04 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 68 E 7.96 4.31 0.00 2.07 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 2.26 2.23 0.00 69 L 7.76 3.99 0.00 1.74 1.68 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.75 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 71 V 7.16 4.64 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 0.80 0.00 0.00 0.86 0.00 0.00 72 E 8.91 4.61 0.00 2.22 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 0.00 2.28 2.20 0.00 73 K 8.54 3.99 0.00 1.74 1.91 0.00 1.93 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.04 1.21 7.81 74 P 0.00 4.83 0.00 2.31 2.36 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 75 E 8.01 4.10 0.00 2.00 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 2.30 2.29 0.00 76 E 9.00 4.15 0.00 2.12 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 2.45 2.51 0.00 77 A 8.05 4.06 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 78 A 7.60 3.81 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 79 F 7.37 4.37 0.00 3.28 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 80 Q 8.73 4.04 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 81 A 8.17 3.96 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 82 A 7.97 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 4.07 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 D 8.47 4.33 0.00 2.90 2.74 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 85 A 8.02 4.13 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 86 I 6.97 4.30 1.88 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 1.52 0.88 0.92 0.00 0.00 87 D 8.01 4.46 0.00 2.87 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 88 L 7.84 5.03 0.00 1.62 1.54 0.99 0.78 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 89 P 0.00 4.79 0.00 2.23 1.76 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 *91 R 8.43 4.87 0.00 2.22 2.15 0.00 2.74 0.00 0.00 3.88 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.00 92 D 8.07 4.74 0.00 2.90 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 93 C 7.74 5.41 0.00 2.87 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 94 V 8.79 4.86 2.32 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 0.96 0.00 0.00 0.77 0.00 0.00 95 L 8.83 5.13 0.00 1.68 1.40 1.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.92 5.01 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.13 0.00 0.00 97 D 8.88 5.15 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.97 5.12 0.00 3.00 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 99 S 8.70 4.69 0.00 3.97 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.43 3.57 1.41 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.02 0.83 0.00 0.00 101 L 7.90 4.05 0.00 1.76 1.74 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.11 4.55 0.00 3.03 3.07 0.00 0.00 6.77 7.68 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 0.00 103 V 8.01 3.57 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 1.13 0.00 0.00 1.18 0.00 0.00 104 R 8.52 3.94 0.00 1.96 1.95 0.00 3.19 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 105 G 8.42 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 0.00 0.00 0.00 106 A 8.00 3.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.67 3.84 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 1.30 0.00 0.00 0.97 0.00 0.00 108 E 8.25 4.00 0.00 2.16 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 2.48 0.00 109 A 7.62 4.31 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 0.00 110 G 8.09 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 0.00 111 L 7.72 4.63 0.00 1.62 1.58 0.83 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.45 3.91 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 0.94 0.00 0.00 0.87 0.00 0.00 113 G 8.60 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.90 4.54 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 1.01 0.00 0.00 1.01 0.00 0.00 115 Y 8.87 5.00 0.00 2.95 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 0.00 116 Y 8.87 4.21 0.00 3.13 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 0.00 117 Q 7.97 4.10 0.00 1.42 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.48 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 118 Q 6.86 4.31 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.64 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 119 F 8.75 3.83 0.00 3.22 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 0.00 120 D 8.09 4.40 0.00 2.86 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 0.00 121 R 7.36 3.94 0.00 1.96 1.77 0.00 3.07 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 122 A 7.64 3.96 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 0.00 123 V 7.51 3.11 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 0.00 0.00 0.80 0.00 0.00 0.78 0.00 0.00 124 V 7.30 3.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 125 E 7.96 3.90 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 126 I 7.70 3.74 1.72 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 1.03 0.00 0.00 127 V 8.03 3.72 2.19 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 1.15 0.00 0.00 0.91 0.00 0.00 128 G 7.88 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.95 0.00 1.33 1.07 0.80 0.72 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 0.00 130 F 7.85 4.74 0.00 3.09 3.08 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 0.00 131 G 8.11 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 0.00 0.00 0.00 132 L 8.08 4.34 0.00 1.75 1.75 0.75 0.98 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 0.00 133 E 8.42 4.56 0.00 2.00 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 2.28 2.33 0.00 134 G 8.52 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 0.00 135 E 8.00 4.66 0.00 2.07 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 2.20 1.85 0.00 136 F 8.81 4.40 0.00 3.08 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 * Residues marked with a * may have inaccurate shift predictions.