NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3290 8.1733 122.0415 56.3000 35.2311 175.1171 3 T 4.9822 7.9038 116.7523 61.5813 73.2582 171.4603 4 I 4.6931 9.5043 127.8283 59.4175 41.2755 173.8412 5 C 5.1864 8.5812 128.2260 58.4251 32.3148 172.4722 6 V 4.8284 8.4654 125.5823 60.4012 34.2112 174.5720 7 F 5.0486 7.6641 117.7731 56.3937 40.9366 173.1062 8 A 4.9539 8.5713 125.4967 50.7007 21.7322 175.2651 9 G 3.8637 7.9690 104.2039 45.2442 0.0000 174.6776 10 S 4.6230 8.4252 113.0525 58.3747 63.3964 173.4952 11 N 5.1549 7.5382 117.4691 50.7800 41.9540 172.6340 12 P 4.2585 0.0000 0.0000 64.0001 31.8594 177.8028 13 G 4.0619 8.1826 103.0157 45.0403 0.0000 173.5148 14 G 3.7565 8.5012 107.1591 46.5214 0.0000 173.2200 15 N 4.8235 7.9460 119.2282 51.3236 40.7834 174.9425 16 E 3.9438 8.6400 125.0643 58.9277 29.6562 178.8379 17 A 3.8781 8.5655 121.6083 55.1990 18.1483 178.8194 18 Y 4.3148 6.8980 114.8477 61.3426 37.8815 179.2240 19 K 4.0095 7.9784 119.7023 59.5157 32.4296 178.3142 20 R 3.8743 7.7035 118.8609 59.8026 29.9957 178.5162 21 K 3.9620 8.7097 118.1473 59.2692 31.8775 179.3723 22 A 4.1172 7.8199 120.9047 55.3046 18.4241 179.5895 23 A 3.9865 8.2718 119.4285 55.1494 18.4114 179.3981 24 E 3.9353 8.4972 118.3597 59.4598 29.4859 178.8540 25 L 4.1053 7.9272 119.5007 57.6206 42.1147 178.8599 26 G 3.6740 7.5670 105.3186 47.6423 0.0000 176.0128 27 V 3.8388 7.8938 114.8873 64.1447 31.2494 178.6759 28 Y 4.0878 7.7772 116.6439 58.2558 38.7612 177.7495 *30 A 4.2127 7.9243 121.5479 51.7931 20.3265 179.8406 31 E 3.8717 8.3130 113.5923 58.8122 29.4708 178.0532 32 Q 4.0835 7.8920 116.9398 54.8607 29.0049 176.5933 33 G 3.9592 8.0016 105.9286 46.2156 0.0000 173.5807 34 I 4.1990 7.0142 120.6052 60.2633 37.8911 176.1819 35 G 3.9827 8.9988 114.4955 45.2902 0.0000 171.9938 36 L 5.2524 8.3409 123.0367 52.9285 44.9623 175.2502 37 V 5.0627 8.2008 125.6113 61.5154 34.1708 173.9655 38 Y 5.1607 8.7951 124.2112 56.4771 41.1892 175.3292 39 G 3.5017 8.9609 107.7812 46.6107 0.0000 173.9093 40 G 2.7790 5.6781 107.1823 46.5219 0.0000 173.3909 41 S 4.7262 7.4118 114.1056 55.8791 64.3374 174.8729 42 R 4.3774 8.2758 125.3792 55.9891 27.6810 175.6338 43 V 4.4588 7.6667 113.5475 60.5169 36.5372 177.1475 44 G 3.7736 8.8148 112.3597 46.2458 0.0000 175.1912 45 L 4.2107 7.6994 117.8230 54.7536 42.0116 179.7130 *47 G 3.9403 8.2587 108.9330 46.1030 0.0000 176.1727 48 T 3.8056 7.7446 116.5991 66.6539 68.3581 176.7080 49 I 3.6689 8.0616 120.3344 63.8232 37.6823 177.8016 50 A 3.7937 7.7492 120.7807 54.9469 18.3396 178.9455 51 D 4.3935 7.9403 116.3076 57.5655 40.8204 178.4729 52 A 4.1630 8.0793 121.1281 55.0413 18.1509 178.5371 53 I 4.6442 7.2622 117.3853 62.1121 37.0910 177.5554 *55 E 4.2892 8.0500 121.3342 56.4455 31.1040 176.2556 56 N 4.7200 7.6543 114.3261 53.8566 39.2282 175.0351 57 G 3.9748 8.0571 102.6397 46.7463 0.0000 173.3937 58 G 4.2503 7.7897 107.3232 44.9904 0.0000 173.5863 59 T 4.8785 8.2482 112.7185 60.4186 71.6081 174.2793 60 A 4.8097 8.9590 129.2516 50.8484 22.7164 174.9304 61 I 4.6576 8.9613 124.6199 60.6333 39.2197 175.3344 62 G 4.2384 8.7992 114.9670 44.4863 0.0000 172.6287 63 V 4.8478 9.1112 126.5962 60.4852 33.4014 173.0886 *65 P 4.5113 0.0000 0.0000 62.4285 32.2777 176.3477 66 S 4.2108 8.4396 116.7117 59.2518 63.7086 174.4788 67 G 3.9212 8.9749 108.8241 45.2051 0.0000 173.6779 68 L 4.3860 7.2642 119.2033 53.5396 42.9910 176.7960 69 F 4.3943 9.9427 122.3692 57.0590 39.8788 176.5779 70 S 4.2683 9.0892 117.3372 61.8019 61.8367 176.9065 71 G 3.7493 8.1769 106.6726 46.9330 0.0000 174.3128 72 E 4.4880 7.9835 118.7630 56.4923 30.1554 176.7341 73 V 4.2854 7.6643 119.3260 63.5582 34.2276 177.8898 74 V 3.7348 7.8325 119.2066 66.1479 31.5903 176.8726 75 H 4.4392 8.3340 113.1669 56.3927 28.0584 175.5780 76 Q 4.4472 7.5893 117.6502 54.9616 30.2785 175.4455 77 N 4.0470 7.6240 111.9116 54.4068 37.1522 172.3695 78 L 4.7721 7.4928 118.9516 52.8803 44.1317 177.1053 79 T 4.1294 8.4557 119.5507 66.4702 68.9598 174.4347 80 E 4.7666 8.0486 119.9514 54.4441 33.6374 173.4173 81 L 5.2363 8.5132 125.9107 53.2910 44.6061 175.4336 82 I 4.5745 8.3028 125.5157 59.5547 40.4018 174.4121 83 E 4.4729 8.8186 127.8217 55.6399 31.3046 175.2015 84 V 4.4934 7.9820 115.4301 60.4479 36.7521 173.4857 85 N 4.8472 9.9790 121.6845 54.0335 39.5819 175.5310 86 G 3.9013 8.0754 114.1257 45.4690 0.0000 173.6951 *88 H 4.7234 8.8107 120.3097 56.1491 31.5313 174.8711 89 E 3.8707 8.2155 118.2252 59.3594 29.0007 179.1316 90 R 3.8506 7.8312 117.3061 59.5047 30.2539 178.3652 91 K 4.1001 7.9654 115.9050 59.3403 32.2828 178.6548 92 A 4.0223 8.1604 121.2674 54.8435 18.4400 180.8695 93 K 4.1450 8.2349 117.8954 56.6645 32.1222 178.4970 *95 S 4.5533 8.0760 112.6420 57.5275 64.8158 174.5797 96 E 3.9937 7.9343 122.7955 59.5012 29.3909 178.1226 97 L 4.2555 7.6734 114.1881 55.2580 41.7094 176.6032 98 A 4.5398 7.0882 121.0390 50.7274 20.5728 176.8111 99 D 4.6625 8.1050 119.8820 54.4599 42.2960 176.2118 100 G 3.9201 6.6992 104.4213 45.8919 0.0000 172.0463 101 F 5.4898 8.7743 117.3758 55.6826 43.3457 174.6648 102 I 4.9878 8.4708 121.1998 59.6954 41.4531 174.3636 103 S 5.1294 8.5941 119.2261 54.7360 66.7440 170.5350 *105 P 3.5047 0.0000 0.0000 62.2895 32.5611 176.6615 106 G 4.5328 6.8729 109.5683 44.9297 0.0000 172.4088 107 G 3.8985 7.8350 105.4437 43.9179 0.0000 173.8822 108 F 4.9871 8.2909 117.6758 60.6890 38.8674 177.7232 109 G 3.6497 8.2002 105.2173 48.0713 0.0000 175.8031 110 T 3.8772 7.8532 117.8099 66.6711 68.5843 176.3285 111 Y 4.5297 8.1459 118.6771 60.9054 37.9093 178.2171 112 E 4.0097 8.6164 120.6483 59.5035 29.7894 178.8162 113 E 3.7887 8.0449 118.5863 58.9913 29.3555 178.9621 114 L 4.1009 8.1388 120.6670 58.5506 42.0466 179.2836 115 F 4.0965 8.3441 115.7560 59.9256 39.0715 177.2037 116 E 4.1999 8.0721 119.1301 59.2983 29.5478 178.7263 117 V 3.4871 7.8963 118.3926 66.1130 31.3715 177.9479 118 L 4.0118 7.9640 118.5930 58.0020 41.2082 179.2631 119 C 4.1645 7.9563 115.4636 61.7534 27.7966 175.1650 120 W 4.4946 8.2725 119.4246 57.4501 29.0609 178.4850 121 A 4.0563 7.5788 121.4363 55.5783 18.2820 178.8439 122 Q 4.1234 8.3215 113.1850 59.1014 28.9952 177.6885 123 I 3.7330 6.9302 116.3559 62.5980 37.7860 176.4216 124 G 4.2462 8.7487 107.0914 46.2922 0.0000 173.4113 125 I 4.0020 8.2160 119.5638 61.9253 38.6846 175.2598 126 H 4.6531 7.9520 119.8226 54.4984 28.6042 173.9911 127 Q 4.4710 8.0939 124.0481 55.0845 29.7886 175.5786 128 K 4.9105 8.2110 118.0462 53.9458 36.1765 174.5391 129 P 4.7845 0.0000 0.0000 62.7996 33.4131 174.9894 130 I 4.9911 9.4999 123.5712 59.7113 40.1452 174.5407 131 G 4.3481 9.3152 115.3645 44.2919 0.0000 171.7772 132 L 4.4248 8.9163 126.0842 53.6521 43.0545 175.7576 133 Y 4.9250 8.7967 127.3042 56.0399 37.9155 176.1162 134 N 4.9724 8.9281 132.5293 52.5157 38.3226 175.8162 135 V 3.6047 7.6292 118.9375 64.1790 32.1486 174.7589 136 N 3.8564 9.6600 124.3943 54.3636 37.4804 173.8465 137 G 3.9818 8.2767 102.2544 46.0774 0.0000 175.7988 138 Y 3.9411 8.1032 122.4808 60.5894 38.5047 177.6446 139 F 4.6333 7.9501 114.3704 58.0804 39.3363 176.5048 140 E 4.1666 8.3036 121.7298 59.2073 29.5460 176.4992 141 P 4.4612 0.0000 0.0000 62.8972 29.0682 176.0241 *144 K 3.8203 7.8077 119.1853 56.0201 34.2293 177.3949 *146 V 4.1172 7.7773 118.2480 62.3590 33.2886 177.1912 147 K 3.8767 8.0384 119.6924 59.8008 31.8873 177.9904 148 Y 4.3733 7.8426 116.8866 61.3094 37.8274 178.4234 149 S 4.3017 8.4301 113.4590 61.8317 62.3810 176.3018 150 I 3.9353 7.9270 122.1349 64.6317 36.6537 178.5049 151 Q 4.0985 8.1912 117.9690 58.7365 28.6378 177.8861 152 E 4.2891 8.3548 117.1594 56.3358 29.7436 177.4766 153 G 3.7561 7.7864 107.3079 45.8942 0.0000 174.5805 154 F 4.5443 7.9786 118.8820 57.9080 39.5566 175.7836 155 S 4.9217 7.9214 114.6465 56.3984 66.0200 172.3212 156 N 5.0122 8.2828 118.8626 51.6444 41.2428 174.6254 157 E 4.1604 8.7291 124.9279 57.9924 30.5766 178.5824 158 S 4.1028 8.8772 115.6917 62.7985 62.8696 175.9381 159 H 4.3984 7.7289 113.2792 57.0321 28.4155 175.6922 160 L 4.3691 7.8949 122.1099 55.3271 42.4511 177.6548 161 K 4.2917 7.8159 115.7077 58.4251 33.1033 177.1877 162 L 4.5594 7.7430 118.9546 54.8765 42.8190 175.8864 163 I 5.2612 7.0239 118.6068 59.9445 39.1121 175.0127 164 H 4.9384 8.3470 120.1588 54.4785 33.4300 172.2331 165 S 5.1612 8.3445 116.1748 56.8021 65.0154 172.7730 166 S 4.7735 8.8156 119.1837 58.0466 66.0182 175.7134 167 S 4.4742 8.9822 117.6196 58.1456 63.9308 174.3985 168 R 4.5746 7.7663 121.8461 54.1130 31.7357 174.2091 169 P 4.0194 0.0000 0.0000 65.9265 31.2427 177.8625 170 D 3.6527 7.2993 118.0620 55.7979 38.9749 178.3675 171 E 3.9175 7.8934 120.0157 58.3695 29.5018 178.2899 172 L 3.9117 7.8663 119.8790 58.3859 42.3730 178.7976 173 I 3.7951 7.4128 118.1847 64.1915 36.9969 178.1836 174 E 4.1281 7.5931 118.8941 59.3130 29.5829 182.0177 175 Q 4.2130 7.7323 117.6702 54.3348 28.8212 176.5476 *177 Q 3.8655 7.7808 120.5490 55.9558 29.6283 173.2733 178 N 4.4389 8.1958 123.4078 51.4887 41.3338 173.8231 179 Y 4.3105 7.2863 120.2569 58.4342 38.0094 175.6626 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 K 8.17 4.33 0.00 1.86 1.83 0.00 1.49 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.50 7.81 3 T 7.90 4.98 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 1.17 0.00 0.00 4 I 9.50 4.69 1.75 0.00 0.00 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 0.99 0.59 0.77 0.00 0.00 5 C 8.58 5.19 0.00 2.86 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 6 V 8.47 4.83 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 0.99 0.00 0.00 0.82 0.00 0.00 7 F 7.66 5.05 0.00 3.18 3.23 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 8 A 8.57 4.95 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 9 G 7.97 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 10 S 8.43 4.62 0.00 4.00 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 11 N 7.54 5.15 0.00 2.62 2.69 0.00 0.00 7.05 8.02 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 12 P 0.00 4.26 0.00 2.21 2.19 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 13 G 8.18 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 14 G 8.50 3.76 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 0.00 0.00 0.00 15 N 7.95 4.82 0.00 2.52 1.76 0.00 0.00 6.84 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 16 E 8.64 3.94 0.00 2.00 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 2.34 2.29 0.00 17 A 8.57 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 6.90 4.31 0.00 3.11 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 K 7.98 4.01 0.00 1.86 1.81 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.52 7.81 20 R 7.70 3.87 0.00 2.00 2.00 0.00 3.14 0.00 0.00 3.43 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 21 K 8.71 3.96 0.00 1.75 1.78 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.45 7.81 22 A 7.82 4.12 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 23 A 8.27 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.50 3.94 0.00 2.20 2.26 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 2.35 2.36 0.00 25 L 7.93 4.11 0.00 1.27 1.69 0.68 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.57 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.89 3.84 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 0.80 0.00 0.00 1.02 0.00 0.00 28 Y 7.78 4.09 0.00 3.06 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 *30 A 7.92 4.21 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 31 E 8.31 3.87 0.00 1.85 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 2.30 2.47 0.00 32 Q 7.89 4.08 0.00 1.76 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.07 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 33 G 8.00 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 0.00 0.00 0.00 34 I 7.01 4.20 1.77 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.65 0.83 0.00 0.00 35 G 9.00 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 0.00 0.00 0.00 36 L 8.34 5.25 0.00 1.63 1.49 0.83 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.20 5.06 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 0.99 0.00 0.00 0.90 0.00 0.00 38 Y 8.80 5.16 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 39 G 8.96 3.50 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 40 G 5.68 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 0.00 0.00 0.00 41 S 7.41 4.73 0.00 3.94 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 42 R 8.28 4.38 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 43 V 7.67 4.46 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 0.71 0.00 0.00 1.03 0.00 0.00 44 G 8.81 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 0.00 0.00 0.00 45 L 7.70 4.21 0.00 1.78 1.75 0.88 1.09 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 *47 G 8.26 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 0.00 0.00 0.00 48 T 7.74 3.81 4.44 0.00 0.00 0.00 0.00 0.00 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 49 I 8.06 3.67 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.35 0.85 0.00 0.00 50 A 7.75 3.79 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 51 D 7.94 4.39 0.00 2.81 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 52 A 8.08 4.16 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 53 I 7.26 4.64 1.94 0.00 0.00 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0.00 0.00 133 Y 8.80 4.92 0.00 2.84 3.05 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 0.00 134 N 8.93 4.97 0.00 2.99 2.83 0.00 0.00 6.73 7.60 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 0.00 135 V 7.63 3.60 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 0.86 0.00 0.00 0.30 0.00 0.00 136 N 9.66 3.86 0.00 2.81 2.92 0.00 0.00 7.23 7.98 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 0.00 137 G 8.28 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 0.00 0.00 0.00 138 Y 8.10 3.94 0.00 2.96 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 4.63 0.00 3.32 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 0.00 140 E 8.30 4.17 0.00 1.99 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 2.51 2.44 0.00 141 P 0.00 4.46 0.00 1.96 2.01 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.04 0.00 *144 K 7.81 3.82 0.00 2.02 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.29 7.81 *146 V 7.78 4.12 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 0.92 0.00 0.00 1.01 0.00 0.00 147 K 8.04 3.88 0.00 1.78 1.52 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.53 7.81 148 Y 7.84 4.37 0.00 3.12 2.93 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 0.00 149 S 8.43 4.30 0.00 4.03 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 0.00 150 I 7.93 3.94 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.05 0.93 0.00 0.00 151 Q 8.19 4.10 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.77 0.00 152 E 8.35 4.29 0.00 2.12 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 2.64 2.61 0.00 153 G 7.79 3.76 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 0.00 0.00 0.00 154 F 7.98 4.54 0.00 3.15 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 0.00 155 S 7.92 4.92 0.00 3.90 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 0.00 156 N 8.28 5.01 0.00 2.71 2.67 0.00 0.00 6.51 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 0.00 157 E 8.73 4.16 0.00 2.05 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 0.00 158 S 8.88 4.10 0.00 3.79 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 0.00 159 H 7.73 4.40 0.00 3.16 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 7.89 4.37 0.00 1.82 1.68 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.82 4.29 0.00 1.94 1.90 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.41 7.81 162 L 7.74 4.56 0.00 1.68 1.88 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.02 5.26 1.80 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 1.18 0.89 0.88 0.00 0.00 164 H 8.35 4.94 0.00 3.02 3.12 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 S 8.34 5.16 0.00 3.84 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 0.00 166 S 8.82 4.77 0.00 3.95 3.67 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 0.00 0.00 0.00 0.00 167 S 8.98 4.47 0.00 3.88 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 0.00 168 R 7.77 4.57 0.00 1.88 2.00 0.00 3.15 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 169 P 0.00 4.02 0.00 1.72 1.91 0.00 3.64 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 170 D 7.30 3.65 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 E 7.89 3.92 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 172 L 7.87 3.91 0.00 1.86 1.62 0.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 173 I 7.41 3.80 1.97 0.00 0.00 1.00 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 0.61 0.96 0.00 0.00 174 E 7.59 4.13 0.00 2.03 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 2.44 2.49 0.00 175 Q 7.73 4.21 0.00 1.90 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 *177 Q 7.78 3.87 0.00 2.23 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 178 N 8.20 4.44 0.00 2.52 2.53 0.00 0.00 7.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 Y 7.29 4.31 0.00 3.00 2.86 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 * Residues marked with a * may have inaccurate shift predictions.