NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0260 8.0549 120.3897 62.5550 32.7034 174.4997 2 L 4.4330 8.2536 126.4264 51.9265 43.0735 175.9995 3 S 4.5186 9.8619 120.5391 57.1388 66.4957 173.4444 4 P 4.2658 0.0000 0.0000 65.4664 30.9638 178.9025 5 A 4.0009 7.9284 119.4219 55.1010 18.2606 179.2104 6 D 4.5778 7.8705 118.2436 57.0564 40.9339 179.1300 7 K 3.8868 7.9103 118.4976 59.7231 31.9054 179.6277 8 T 3.8478 7.8583 115.8615 66.6370 68.3644 176.5616 9 N 4.3002 8.2085 118.4007 56.3520 38.5999 177.6352 10 V 3.5145 7.9771 119.8248 65.8762 31.4165 178.2996 11 K 3.9786 8.0048 118.0019 59.3643 31.4004 179.2888 12 A 4.0066 8.3690 121.2167 55.0390 17.9446 179.6212 13 A 4.0192 8.4672 119.7507 55.1856 18.4555 179.7742 14 W 4.2705 8.5749 126.8483 60.1930 30.4409 178.5179 15 G 3.5915 7.7764 105.6153 47.7496 0.0000 175.7683 16 K 4.1341 7.5808 118.7789 58.6765 31.8707 179.5197 17 V 3.7472 7.4263 118.7417 64.3934 31.6900 177.8150 18 G 3.7007 8.1365 106.3335 46.0970 0.0000 176.0384 19 A 3.7888 8.6587 125.8656 55.1115 18.2113 178.5909 20 H 4.1237 7.4678 110.3090 55.9875 29.0744 176.8542 21 A 3.7989 7.4753 124.2704 55.4021 18.0840 180.4386 22 G 3.5998 7.9480 105.9039 48.4959 0.0000 176.4002 23 E 4.0648 7.7631 120.1577 61.0120 29.8116 180.9436 24 Y 4.6769 8.0952 117.4120 60.9566 37.8026 178.4505 25 G 3.6778 8.2632 106.5537 47.6382 0.0000 175.6817 26 A 4.0560 7.9568 122.7341 54.9537 18.3579 179.4028 27 E 3.8717 8.1217 117.6301 59.2980 29.7258 178.7329 28 A 3.9352 8.1343 120.8665 55.1990 18.3837 179.7012 29 L 3.4625 7.5953 117.5143 57.7028 41.5655 179.2253 30 E 4.0575 8.0357 119.2171 59.4313 29.5123 179.1803 31 R 3.8910 8.1602 118.2934 59.2039 30.0374 178.6673 32 M 4.1095 7.8187 118.0566 58.7718 32.0278 178.3183 33 F 4.5848 7.8318 117.9093 60.4914 38.7859 177.8071 34 L 4.0814 7.5349 117.9597 58.1068 41.6816 179.4256 35 S 4.1509 8.1058 113.9346 59.7771 63.9912 174.5631 36 F 4.9494 8.1745 120.8566 53.6380 39.5704 173.2672 37 P 4.6762 0.0000 0.0000 65.1281 30.9793 178.3808 38 T 4.0754 8.1380 109.2210 64.4112 68.5882 175.8991 39 T 4.3811 8.1706 112.1209 63.8574 69.1134 176.5025 40 K 4.1949 8.4287 122.1132 59.0731 31.8471 178.4369 41 T 4.1450 7.6255 108.5809 63.4279 68.8685 175.1471 42 Y 4.1176 7.8410 118.6938 58.1802 39.7618 175.3340 43 F 4.7394 7.8875 118.0453 55.3899 39.1793 174.0816 44 P 4.3096 0.0000 0.0000 65.5483 31.9123 177.8536 45 H 4.6115 8.4910 110.9037 56.3317 29.0063 174.8889 46 F 4.6577 7.6212 119.8129 56.2750 40.1623 175.4508 47 D 4.5854 8.5698 124.6872 53.3629 39.9892 175.3176 48 L 4.4372 8.2126 126.1610 54.5134 41.9014 177.6963 49 S 4.2222 8.3061 115.6850 59.7116 62.8899 175.8902 *50 H 3.3851 6.7542 111.7536 54.3788 30.0058 176.1805 51 G 4.2094 7.5598 110.9079 44.3024 0.0000 174.2564 52 S 4.0866 7.9294 113.0907 58.7684 64.5728 173.7328 53 A 4.0787 8.4894 129.2708 54.9435 18.2202 180.2560 54 Q 3.7104 7.6798 116.9870 58.9468 28.7275 178.8806 55 V 3.8643 7.8217 121.1635 66.8235 31.3800 178.7496 56 K 4.2093 8.0581 122.9667 59.6217 30.9427 181.1009 57 G 3.6847 7.9858 105.4519 48.0833 0.0000 175.4607 58 H 4.5614 8.9286 120.8859 58.6761 29.9088 177.5925 59 G 3.7241 8.4370 110.5174 48.2097 0.0000 176.5733 60 K 4.1005 7.7309 125.6935 59.4436 31.8446 181.7710 61 K 4.1663 7.7617 119.2188 59.3966 32.1482 179.6135 62 V 3.6106 7.9835 118.2414 65.9396 31.4648 177.8961 63 A 4.2861 8.2192 120.5101 55.4616 18.2872 179.3897 64 D 4.4509 8.5620 117.3897 57.4136 40.9709 178.8347 65 A 4.0750 8.0822 121.2232 55.2317 18.4864 179.7399 66 L 3.9498 7.9831 117.0791 58.1040 41.5281 179.8122 67 T 4.0181 8.1917 115.8779 66.6086 68.4560 176.2506 68 N 4.3952 8.3619 118.9473 56.5505 38.7555 176.9039 69 A 4.1127 7.7169 121.3262 54.9559 18.5080 179.4870 70 V 3.4606 7.5093 115.9131 65.8808 31.5888 177.8745 71 A 4.1466 7.7255 120.0700 54.3964 18.8008 178.5828 72 H 4.9108 8.1551 114.9960 55.2390 29.6567 177.1653 73 V 3.8298 7.9299 120.7820 63.9148 31.5478 176.1951 74 D 4.7729 7.9253 118.6344 54.5972 42.0513 175.9405 75 D 4.7834 8.1619 120.3290 52.1414 41.8191 176.5502 76 M 4.0877 8.2535 121.5887 58.1333 32.1063 176.4290 77 P 4.2197 0.0000 0.0000 66.3295 31.2578 179.0393 78 N 4.5643 8.0475 116.3222 57.3147 37.8206 178.6401 79 A 4.3693 8.0523 121.7053 53.7026 18.7330 178.1525 80 L 4.6770 7.7849 116.1881 54.4390 42.3982 178.3463 81 S 4.2436 7.9703 118.6201 60.8099 62.4171 176.6310 82 A 3.9846 7.8908 123.8282 55.1225 18.3656 179.4672 83 L 4.1140 7.8806 116.9528 57.7027 41.7585 179.4813 84 S 4.1424 8.2686 113.5553 61.1379 62.2995 175.6986 85 D 4.2093 7.7691 120.7902 57.2072 41.0322 177.7564 86 L 3.9158 7.6907 120.3273 58.7932 42.1611 178.7632 87 H 4.3265 8.5750 115.7718 58.3415 28.4761 177.5883 88 A 4.1353 7.8637 122.5258 54.7804 19.0671 178.0058 89 H 4.2735 7.9401 114.0149 59.0697 30.4032 176.6589 90 K 4.1773 8.1904 118.6341 59.5556 32.2609 179.0296 91 L 4.0078 8.5073 118.3674 55.8470 42.3013 177.6452 92 R 3.9153 7.9205 115.5189 57.1471 27.0083 176.5347 93 V 3.9313 8.0539 116.9243 62.1238 32.8719 175.0544 94 D 4.5340 8.6195 127.6169 53.5903 41.7744 175.1669 95 P 4.5279 0.0000 0.0000 65.9819 31.1170 179.0048 96 V 3.6983 8.1686 111.1790 64.4081 31.3357 178.2540 97 N 4.2229 8.2399 116.4050 56.1147 38.1816 177.4070 98 F 3.8785 8.2017 119.3995 60.2489 38.9336 177.8577 99 K 4.0185 7.9201 118.4575 59.2393 31.8679 179.4716 100 L 3.7479 7.5165 118.9562 57.5321 41.6092 179.0984 101 L 3.9237 7.9501 120.3559 58.1992 42.0113 179.0762 102 S 4.1752 8.3144 115.3636 61.7676 62.6749 176.2398 103 H 4.2022 8.2291 120.7790 59.7051 29.8590 177.2973 104 C 4.0797 8.0906 118.0936 62.3315 27.8522 175.9637 105 L 3.9862 7.9943 122.4313 57.9537 41.7277 178.8976 106 L 3.9405 7.9205 119.0347 57.7835 41.5332 179.5549 107 V 3.4131 7.7886 118.2465 66.2564 31.2214 178.2326 108 T 3.7315 7.6215 115.0546 66.6100 68.3069 176.7307 109 L 3.5362 7.5560 120.5623 57.4659 41.3115 179.4586 110 A 3.4631 7.1030 119.7581 54.6496 18.2545 179.1627 111 A 3.9989 7.4336 118.1969 54.6903 18.6381 178.6691 112 H 4.5273 7.5887 113.0759 56.1039 30.7104 175.3251 113 L 4.8914 7.8094 120.6289 52.6501 42.2883 176.0027 114 P 4.3322 0.0000 0.0000 65.8447 31.8165 178.1023 115 A 4.1678 8.0173 120.8844 54.9744 18.4893 178.3056 116 E 4.1688 8.1026 113.7248 58.6517 30.4463 177.4408 117 F 4.4838 8.0104 123.1818 57.2448 37.8971 175.3207 118 T 4.2077 7.2634 114.9494 60.5965 71.5031 173.5486 119 P 4.0819 0.0000 0.0000 65.8417 31.1807 178.8288 120 A 3.9273 7.8096 119.0043 55.0386 18.2767 179.7586 121 V 3.4318 7.3366 116.1051 66.1559 31.5533 177.4608 122 H 3.5307 7.8208 117.9512 59.2747 29.4918 176.8399 123 A 3.9735 7.9697 122.2201 55.4463 18.1826 179.8576 124 S 4.2482 7.9004 113.3221 61.6588 62.9103 176.9542 125 L 4.1855 8.3264 122.1512 57.7390 41.4984 178.8622 126 D 4.4424 8.4436 118.1921 57.3927 41.1502 178.6501 127 K 3.9845 7.9551 118.5699 59.3371 32.0959 178.9870 128 F 4.2014 8.4221 121.0023 61.5882 39.3506 177.2822 129 L 3.6672 8.5768 118.3796 57.3946 41.3205 179.4221 130 A 3.9759 7.7754 120.8214 55.0359 18.3573 179.9022 131 S 3.9510 7.8621 113.7845 61.5611 62.9013 176.9683 132 V 3.3522 7.2828 120.8707 66.0879 31.1678 178.1880 133 S 3.7249 7.8506 114.7360 61.8008 62.3987 176.8345 134 T 3.6973 7.4793 117.2914 66.5526 68.0343 176.5589 135 V 3.6836 7.5259 119.9045 65.9332 31.4014 177.9026 136 L 4.1575 7.6732 117.0407 56.4582 41.5969 178.2149 137 T 4.2480 7.1178 107.6279 60.6678 69.6856 174.2966 138 S 4.6857 7.1662 117.6422 56.9830 64.7827 174.2039 139 K 4.3416 8.5168 124.1616 55.4234 31.1781 175.3988 140 Y 4.8439 7.9175 124.8895 56.9594 38.6705 176.9073 141 R 4.2162 7.8512 124.1012 57.0466 30.5104 178.2858 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 1 V 8.05 4.03 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 0.98 0.00 0.00 0.91 0.00 0.00 2 L 8.25 4.43 0.00 1.76 1.60 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.86 4.52 0.00 4.03 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 4 P 0.00 4.27 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 5 A 7.93 4.00 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 6 D 7.87 4.58 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 7 K 7.91 3.89 0.00 1.96 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.74 7.81 8 T 7.86 3.85 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 1.20 0.00 0.00 9 N 8.21 4.30 0.00 2.87 2.85 0.00 0.00 6.71 7.28 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 10 V 7.98 3.51 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 0.15 0.00 0.00 0.83 0.00 0.00 11 K 8.00 3.98 0.00 2.03 1.84 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.48 7.81 12 A 8.37 4.01 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 13 A 8.47 4.02 1.45 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 14 W 8.57 4.27 0.00 3.50 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 15 G 7.78 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 0.00 0.00 0.00 16 K 7.58 4.13 0.00 1.97 1.91 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.46 7.81 17 V 7.43 3.75 1.51 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 0.54 0.00 0.00 0.80 0.00 0.00 18 G 8.14 3.70 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 0.00 0.00 0.00 19 A 8.66 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.47 4.12 0.00 2.05 2.35 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.48 3.80 1.18 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 0.00 0.00 22 G 7.95 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.06 0.00 1.99 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 2.31 1.97 0.00 24 Y 8.10 4.68 0.00 3.02 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 25 G 8.26 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 26 A 7.96 4.06 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 27 E 8.12 3.87 0.00 2.04 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 0.00 2.30 2.34 0.00 28 A 8.13 3.94 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 29 L 7.60 3.46 0.00 1.74 1.34 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.04 4.06 0.00 2.22 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 0.00 2.35 2.43 0.00 31 R 8.16 3.89 0.00 1.99 1.89 0.00 3.12 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 32 M 7.82 4.11 0.00 1.81 2.01 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 33 F 7.83 4.58 0.00 3.11 2.97 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 34 L 7.53 4.08 0.00 1.74 1.67 0.93 0.86 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 35 S 8.11 4.15 0.00 2.93 2.95 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 36 F 8.17 4.95 0.00 3.16 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 37 P 0.00 4.68 0.00 2.32 2.38 0.00 3.96 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.94 0.00 38 T 8.14 4.08 4.35 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 1.29 0.00 0.00 39 T 8.17 4.38 4.48 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 1.43 0.00 0.00 40 K 8.43 4.19 0.00 2.03 1.86 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.19 1.66 7.81 41 T 7.63 4.14 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 1.25 0.00 0.00 42 Y 7.84 4.12 0.00 2.94 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 43 F 7.89 4.74 0.00 2.82 2.37 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 44 P 0.00 4.31 0.00 2.09 2.12 0.00 3.81 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 2.00 2.18 0.00 45 H 8.49 4.61 0.00 3.41 3.48 0.00 5.51 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 7.62 4.66 0.00 3.01 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 47 D 8.57 4.59 0.00 2.58 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 48 L 8.21 4.44 0.00 1.52 1.37 0.42 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.31 4.22 0.00 4.06 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 *50 H 6.75 3.39 0.00 2.98 2.84 0.00 7.17 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.56 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 0.00 0.00 0.00 52 S 7.93 4.09 0.00 4.06 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 53 A 8.49 4.08 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 54 Q 7.68 3.71 0.00 1.60 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 55 V 7.82 3.86 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 1.17 0.00 0.00 1.10 0.00 0.00 56 K 8.06 4.21 0.00 1.83 1.81 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.33 7.81 57 G 7.99 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 58 H 8.93 4.56 0.00 3.74 3.56 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.44 3.72 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 0.00 0.00 0.00 60 K 7.73 4.10 0.00 1.80 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 61 K 7.76 4.17 0.00 1.96 1.91 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.65 7.81 62 V 7.98 3.61 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 1.06 0.00 0.00 0.93 0.00 0.00 63 A 8.22 4.29 1.58 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 64 D 8.56 4.45 0.00 2.90 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 65 A 8.08 4.08 1.45 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 66 L 7.98 3.95 0.00 1.96 1.23 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.19 4.02 4.61 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 1.44 0.00 0.00 68 N 8.36 4.40 0.00 2.98 3.01 0.00 0.00 7.05 7.99 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 69 A 7.72 4.11 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 70 V 7.51 3.46 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 0.72 0.00 0.00 0.20 0.00 0.00 71 A 7.73 4.15 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 72 H 8.16 4.91 0.00 3.28 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.93 3.83 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 0.71 0.00 0.00 1.01 0.00 0.00 74 D 7.93 4.77 0.00 2.68 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 75 D 8.16 4.78 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.25 4.09 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.66 0.00 77 P 0.00 4.22 0.00 2.00 1.57 0.00 3.47 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 1.94 1.92 0.00 78 N 8.05 4.56 0.00 2.82 2.73 0.00 0.00 6.62 7.46 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 79 A 8.05 4.37 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 80 L 7.78 4.68 0.00 1.82 1.68 0.88 0.52 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 81 S 7.97 4.24 0.00 3.98 4.39 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 82 A 7.89 3.98 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 83 L 7.88 4.11 0.00 1.88 1.83 0.97 0.91 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 84 S 8.27 4.14 0.00 3.99 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 85 D 7.77 4.21 0.00 2.89 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 86 L 7.69 3.92 0.00 1.79 1.82 0.90 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.58 4.33 0.00 3.53 3.58 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.86 4.14 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 89 H 7.94 4.27 0.00 3.08 3.44 0.00 5.73 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.19 4.18 0.00 1.96 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.56 7.81 91 L 8.51 4.01 0.00 1.60 1.77 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.92 3.92 0.00 1.98 2.01 0.00 3.20 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 93 V 8.05 3.93 2.31 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 0.27 0.00 0.00 0.94 0.00 0.00 94 D 8.62 4.53 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.21 2.07 0.00 3.70 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 2.11 2.18 0.00 96 V 8.17 3.70 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 0.86 0.00 0.00 1.01 0.00 0.00 97 N 8.24 4.22 0.00 2.62 2.51 0.00 0.00 6.90 8.29 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 98 F 8.20 3.88 0.00 3.28 3.07 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 99 K 7.92 4.02 0.00 1.90 1.81 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.49 7.81 100 L 7.52 3.75 0.00 1.60 1.25 0.53 -0.30 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 0.00 101 L 7.95 3.92 0.00 1.60 1.53 0.83 0.76 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 0.00 102 S 8.31 4.18 0.00 4.08 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 0.00 103 H 8.23 4.20 0.00 3.38 3.56 0.00 5.78 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 0.00 104 C 8.09 4.08 0.00 3.04 3.03 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 0.00 105 L 7.99 3.99 0.00 1.94 1.88 1.05 0.63 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 0.00 106 L 7.92 3.94 0.00 1.93 1.76 1.06 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.79 3.41 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 0.93 0.00 0.00 0.79 0.00 0.00 108 T 7.62 3.73 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 1.08 0.00 0.00 109 L 7.56 3.54 0.00 1.40 1.49 1.16 0.64 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 0.00 110 A 7.10 3.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 7.43 4.00 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 0.00 112 H 7.59 4.53 0.00 2.63 3.26 0.00 5.60 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.81 4.89 0.00 1.76 1.59 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.33 0.00 2.18 2.28 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 115 A 8.02 4.17 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 0.00 116 E 8.10 4.17 0.00 2.06 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 2.35 2.28 0.00 117 F 8.01 4.48 0.00 3.09 3.03 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 0.00 118 T 7.26 4.21 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 1.21 0.00 0.00 119 P 0.00 4.08 0.00 2.13 2.11 0.00 3.56 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 120 A 7.81 3.93 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 0.00 121 V 7.34 3.43 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 1.05 0.00 0.00 0.92 0.00 0.00 122 H 7.82 3.53 0.00 2.45 3.20 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.97 3.97 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 0.00 124 S 7.90 4.25 0.00 3.97 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 0.00 125 L 8.33 4.19 0.00 1.94 1.92 1.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 126 D 8.44 4.44 0.00 3.00 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 0.00 127 K 7.96 3.98 0.00 2.02 1.87 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.65 7.81 128 F 8.42 4.20 0.00 3.12 3.31 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 0.00 129 L 8.58 3.67 0.00 1.74 1.67 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.78 3.98 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 0.00 131 S 7.86 3.95 0.00 3.86 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 0.00 132 V 7.28 3.35 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 0.87 0.00 0.00 0.13 0.00 0.00 133 S 7.85 3.72 0.00 3.94 3.66 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 0.00 134 T 7.48 3.70 4.28 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 1.11 0.00 0.00 135 V 7.53 3.68 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 1.07 0.00 0.00 0.82 0.00 0.00 136 L 7.67 4.16 0.00 1.26 1.65 0.98 0.86 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 0.00 137 T 7.12 4.25 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 0.57 0.00 0.00 138 S 7.17 4.69 0.00 4.03 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 0.00 139 K 8.52 4.34 0.00 1.74 1.77 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.39 7.81 140 Y 7.92 4.84 0.00 3.05 3.07 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 0.00 141 R 7.85 4.22 0.00 1.80 1.67 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 * Residues marked with a * may have inaccurate shift predictions.