NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2772 8.1593 117.3740 63.5530 69.7541 174.0977 2 S 4.4263 8.3786 121.7922 55.9530 66.3660 173.3420 3 K 4.0318 9.1806 123.5896 59.6480 32.2753 179.7945 4 K 3.8834 8.0611 118.1755 59.5970 31.8321 178.9383 5 K 3.8603 7.6835 117.6200 59.0345 32.0594 177.8378 6 R 4.3787 7.5192 115.7549 56.5316 30.6284 177.8347 7 Q 4.1710 8.2047 119.7828 57.1995 28.4204 175.8481 8 R 3.9409 7.5897 118.8291 59.0849 29.9786 176.2836 9 G 4.0913 8.9724 111.3372 45.5555 0.0000 174.0117 10 S 4.2071 7.9444 113.2029 58.4342 63.6717 174.6299 11 R 4.2088 8.0806 125.5813 57.2969 29.1462 176.6336 12 T 4.3414 7.6466 104.6621 61.0616 69.6381 173.9993 13 H 4.6454 8.4005 118.0033 56.0802 26.8758 175.4408 14 G 3.8915 8.3496 102.8814 46.3727 0.0000 174.8375 15 G 3.9000 8.2893 106.9727 44.9169 0.0000 176.0344 16 G 3.9714 7.7230 107.9637 45.5012 0.0000 175.3663 17 S 4.2577 8.4903 118.8137 58.1879 62.7197 174.3690 18 H 4.4567 8.7498 120.8192 57.1876 28.5194 175.9428 19 K 4.0756 7.7369 119.1175 56.9924 31.8007 177.6607 20 N 4.3829 7.6073 117.4322 55.9053 39.0914 177.3214 21 R 4.3682 7.4534 120.3041 56.3531 28.7880 177.5784 22 R 4.5670 7.3250 122.8719 56.2845 31.0754 179.7693 23 G 4.0060 8.4872 120.8941 45.8222 0.0000 173.2617 24 A 4.2722 8.6312 120.2128 54.2551 18.4434 180.0474 25 G 3.5456 8.0527 104.3951 47.8774 0.0000 175.0086 26 H 4.4841 8.0588 118.5922 57.8660 29.9938 176.3128 27 R 4.5068 7.9073 117.7918 54.9797 30.7936 175.9853 28 G 3.8557 8.2655 106.4129 46.8225 0.0000 173.3793 29 G 4.1830 8.2329 104.5095 43.1307 0.0000 174.3883 30 R 4.1222 8.6977 121.4749 56.4266 31.7240 175.9208 31 G 3.9110 8.3521 113.6581 47.4414 0.0000 173.7896 32 D 4.6600 8.6682 124.4113 54.0832 40.5734 175.4837 33 A 4.0701 7.3257 123.0278 54.2341 18.7496 178.9306 34 G 3.7760 9.0094 110.0208 45.3345 0.0000 175.1580 35 R 4.0163 7.9484 116.3548 57.0234 29.2454 177.3620 36 D 4.9892 7.9168 115.5201 52.6330 42.4236 176.1269 37 K 4.2773 8.8930 117.3717 57.0459 32.7469 176.9204 38 H 4.5645 9.6076 124.8077 58.1927 29.9341 176.2352 39 E 4.6888 7.5788 120.5606 55.6275 30.0560 177.9312 40 F 4.9925 8.0731 115.3014 59.2584 38.5281 175.1413 41 H 3.7933 6.6044 117.4207 57.4544 28.6199 174.3121 42 N 4.2789 8.9294 120.4078 54.7410 35.8914 173.5406 43 H 4.9088 7.7090 112.9766 53.5165 31.6236 174.1042 44 E 4.1137 8.7946 123.7326 55.5256 29.9298 175.1867 45 P 4.4547 0.0000 0.0000 62.7457 31.8499 176.0042 46 L 4.1534 8.0411 118.8878 54.8969 42.2642 175.9271 47 G 4.1483 8.0443 106.1353 43.5874 0.0000 173.0704 48 K 4.6203 8.0191 119.0328 54.9161 34.3125 176.4301 49 S 4.4340 8.4546 114.3351 58.2016 65.5664 175.7128 50 G 4.0332 9.0672 117.3177 45.6965 0.0000 171.5497 51 F 4.9826 8.5075 113.7310 55.7927 40.8839 173.2579 52 K 4.2543 8.2486 119.0931 54.4201 35.3023 176.4223 53 R 4.4526 7.9637 120.9873 53.9750 31.5517 174.7568 54 P 4.2656 0.0000 0.0000 63.3086 31.6638 176.9371 55 Q 3.9082 9.0074 120.6791 59.2141 28.7280 178.6140 56 K 4.4805 7.9464 113.7507 56.9449 32.5784 176.9896 57 V 4.3336 7.9667 116.4612 62.9068 32.1466 174.8718 58 Q 4.5859 7.6546 117.4775 54.5309 30.1728 174.7160 59 E 4.4759 8.5789 121.1355 54.4229 31.8340 174.8893 60 E 4.4220 8.4230 124.4664 54.2915 31.3816 174.2834 61 A 4.0211 8.2064 129.4928 51.1368 19.7218 176.2067 62 A 4.3676 9.0737 125.9820 51.3751 19.7200 176.6908 63 T 5.4936 8.0997 112.1630 60.0928 71.9989 173.7493 64 I 4.3212 7.7216 119.2296 60.4497 41.5258 173.1649 65 D 5.2081 8.5770 128.6507 53.4222 42.3248 177.7622 66 V 3.6579 8.5319 116.2737 64.7958 31.4065 178.8485 67 R 3.9321 7.8206 118.1330 59.5085 29.5475 178.2193 68 E 3.8731 8.0077 117.8868 59.3887 30.0355 178.2975 69 I 3.7666 7.7697 119.2886 64.6356 37.0664 177.4190 70 D 4.3297 8.6098 118.7004 57.6911 40.9065 178.3176 71 E 4.1923 8.3084 116.8880 58.0814 29.1618 177.1203 72 N 5.0341 8.0049 116.6103 52.8757 40.3152 177.1567 73 V 3.2210 7.5452 113.6247 64.7428 31.7624 178.8385 74 T 3.9044 7.6454 108.0000 64.7841 68.4332 175.4920 75 L 4.0883 7.2049 120.4808 56.7271 42.0687 177.2789 76 L 4.4479 7.6488 120.1536 53.6509 41.4899 178.2301 77 A 3.9957 8.1177 122.4957 55.3385 18.6824 178.1246 78 A 4.4860 7.7545 117.6062 52.0767 18.9739 177.2371 79 D 4.5864 8.2706 120.0145 56.2095 45.5317 175.9637 80 D 4.2364 7.6129 122.0739 49.1121 41.7534 175.4617 81 V 4.4723 8.2724 120.9076 61.1463 34.2529 174.7525 82 A 4.2188 8.1674 133.2187 51.6296 20.4190 177.0166 83 E 3.8068 8.9846 109.7353 59.5975 30.0821 174.1049 *89 F 4.6024 7.7529 114.2430 57.9120 41.1098 174.1445 90 R 5.1341 8.6438 119.9460 54.7714 32.4690 174.7790 91 V 4.4772 8.7360 126.0336 59.9107 34.9846 174.7317 92 D 4.6899 8.7569 124.0768 52.8092 40.6744 176.2779 93 V 3.6107 8.4247 128.2715 66.3184 31.6255 178.4197 94 R 4.0295 7.8463 117.1321 59.3125 29.8966 177.8477 95 D 4.5978 8.2678 116.5388 55.0808 41.1741 178.0251 96 V 3.9840 7.9137 118.9235 63.8152 32.4737 176.1983 97 V 3.5945 7.2850 116.8766 63.1094 31.6825 175.5066 98 E 4.2036 8.5854 126.0222 57.0208 30.3142 176.8536 99 E 4.1349 9.0399 116.8318 57.2270 26.8813 175.5614 100 A 4.3918 7.5458 119.4776 52.8505 18.5688 178.0982 101 D 4.7407 7.9070 117.5700 56.8875 42.6384 178.3454 102 D 4.4623 7.9717 116.2210 53.3304 38.7640 174.8319 103 A 4.8021 7.5945 122.8593 50.7340 20.8673 178.3752 104 D 4.4226 8.6563 121.9662 55.9118 41.8291 175.7893 105 Y 4.8404 6.4064 118.1921 56.9069 41.5712 172.2432 106 V 4.7024 8.8931 121.7332 61.6628 33.5923 174.5044 107 K 4.6643 9.4295 129.3121 54.5637 35.0938 174.6471 108 V 4.5559 8.3463 127.9158 61.9494 32.9253 174.7851 109 L 4.5683 9.2125 128.0189 52.5653 44.5075 176.7531 110 G 4.2836 8.2013 108.8646 45.2430 0.0000 173.2426 111 A 4.6262 8.2758 120.7067 51.6902 21.7431 178.6279 112 G 3.8982 8.9514 109.2754 44.3145 0.0000 171.9944 113 Q 4.5472 8.1871 117.5246 54.0841 31.3943 175.2300 114 V 4.3241 7.9624 117.4003 61.9308 33.1195 174.6875 115 R 4.4444 8.7733 125.1435 56.1962 30.2843 175.5061 116 H 5.2413 7.7864 114.3516 53.6316 33.1628 172.6708 117 E 4.7795 8.8275 117.9701 55.1418 30.2312 175.7225 118 L 5.1377 8.6049 124.1662 53.0171 45.9511 175.8267 119 T 4.9148 8.9217 119.5444 62.1422 70.6853 172.9360 120 L 5.3087 8.6701 127.3477 53.0180 44.5035 175.8665 121 I 5.5100 8.6680 123.4615 58.9238 39.8480 174.6128 122 A 4.8196 8.6646 127.1925 50.5822 22.0628 176.3079 123 D 4.4220 8.5523 118.9180 57.2544 41.9784 176.2115 124 D 4.6407 7.2386 115.5315 53.3831 44.5065 174.0890 125 F 5.5069 8.9740 120.5499 54.9464 43.5269 174.0853 126 S 4.7306 8.6238 114.8993 57.1350 65.4807 174.5780 127 E 4.0334 9.2082 120.5605 60.0351 29.2204 179.7516 128 G 3.8410 8.2813 104.4098 48.0996 0.0000 175.0588 129 A 4.0861 7.8757 122.7733 54.9762 18.3805 179.8794 130 R 3.7676 8.1566 116.4160 59.3914 30.2234 178.7513 131 E 3.9392 8.4510 118.6118 59.6557 29.3855 179.8157 132 K 3.9011 8.0809 117.8514 59.6996 32.3467 179.6196 133 V 3.6093 7.9901 118.3625 65.9452 31.3102 177.8723 134 E 4.8263 7.9449 119.9821 58.4903 29.3122 179.1085 135 G 3.9806 8.4937 104.6874 46.7475 0.0000 173.7108 136 A 4.5980 7.7143 123.5778 51.7051 19.4981 176.9219 137 G 3.8750 8.4228 105.5582 48.7135 0.0000 173.6112 138 G 4.7895 7.8949 105.1680 43.0027 0.0000 172.3344 139 S 5.0580 9.0367 113.1102 56.4883 67.0885 173.3538 140 V 4.5121 8.1038 119.7309 61.2012 33.8082 174.1877 141 E 4.5910 9.5134 128.9355 54.6551 31.5827 174.8377 142 L 5.0565 8.4207 126.8113 54.2440 43.4008 176.3546 143 T 4.1508 8.5540 123.0957 63.5456 69.6327 175.2356 144 D 4.3655 8.7512 121.7226 57.5003 41.0719 179.0757 145 L 3.9319 7.9771 120.0010 57.8217 42.4082 178.0368 146 G 3.7969 7.8582 106.6339 46.9206 0.0000 174.3009 147 E 4.5203 7.9958 120.0885 57.0833 29.4737 176.9590 148 E 4.7910 8.2680 114.4488 56.3623 30.0994 178.4870 149 R 4.5555 7.3987 116.4756 52.1390 30.8504 176.2342 150 Q 4.3040 7.8730 121.4146 56.8513 29.3050 173.0922 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 T 8.16 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 1.21 0.00 0.00 2 S 8.38 4.43 0.00 4.10 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 3 K 9.18 4.03 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.06 3.88 0.00 1.84 1.87 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.52 7.81 5 K 7.68 3.86 0.00 1.73 2.03 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 6 R 7.52 4.38 0.00 1.95 1.92 0.00 3.21 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 7 Q 8.20 4.17 0.00 1.99 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.97 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 8 R 7.59 3.94 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 9 G 8.97 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.94 4.21 0.00 3.98 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 11 R 8.08 4.21 0.00 1.97 2.12 0.00 3.21 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 12 T 7.65 4.34 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 1.33 0.00 0.00 13 H 8.40 4.65 0.00 3.30 3.39 0.00 5.72 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 14 G 8.35 3.89 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 0.00 0.00 0.00 15 G 8.29 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 16 G 7.72 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 17 S 8.49 4.26 0.00 3.87 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 18 H 8.75 4.46 0.00 3.31 3.40 0.00 5.57 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.74 4.08 0.00 1.72 1.80 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.33 7.81 20 N 7.61 4.38 0.00 2.82 2.60 0.00 0.00 6.95 7.23 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 R 7.45 4.37 0.00 1.77 1.89 0.00 3.17 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 R 7.33 4.57 0.00 1.73 0.99 0.00 3.23 0.00 0.00 3.20 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 23 G 8.49 4.01 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 0.00 24 A 8.63 4.27 1.33 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 0.00 0.00 0.00 25 G 8.05 3.55 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 0.00 26 H 8.06 4.48 0.00 3.07 3.49 0.00 5.92 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 27 R 7.91 4.51 0.00 2.03 1.92 0.00 3.33 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 28 G 8.27 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 29 G 8.23 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 0.00 0.00 0.00 0.00 30 R 8.70 4.12 0.00 1.91 1.82 0.00 3.37 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 31 G 8.35 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 0.00 0.00 0.00 32 D 8.67 4.66 0.00 2.74 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.33 4.07 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 34 G 9.01 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 0.00 0.00 0.00 35 R 7.95 4.02 0.00 1.71 1.98 0.00 3.01 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 36 D 7.92 4.99 0.00 2.75 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 37 K 8.89 4.28 0.00 1.74 1.70 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.52 7.81 38 H 9.61 4.56 0.00 3.30 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.58 4.69 0.00 1.91 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 2.24 2.00 0.00 40 F 8.07 4.99 0.00 3.20 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 6.60 3.79 0.00 2.89 3.05 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.93 4.28 0.00 2.82 2.87 0.00 0.00 6.88 8.16 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 43 H 7.71 4.91 0.00 3.35 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.79 4.11 0.00 1.98 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 2.33 2.32 0.00 45 P 0.00 4.45 0.00 2.18 2.09 0.00 3.79 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 2.01 2.02 0.00 46 L 8.04 4.15 0.00 1.66 1.64 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.04 4.15 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 0.00 48 K 8.02 4.62 0.00 1.75 1.74 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 49 S 8.45 4.43 0.00 3.80 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.07 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.51 4.98 0.00 3.12 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 52 K 8.25 4.25 0.00 1.65 1.59 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.22 1.36 7.81 53 R 7.96 4.45 0.00 1.71 1.84 0.00 3.29 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.30 0.00 54 P 0.00 4.27 0.00 2.22 2.22 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 9.01 3.91 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.14 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.95 4.48 0.00 1.86 1.89 0.00 1.51 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.42 7.81 57 V 7.97 4.33 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 0.85 0.00 0.00 0.94 0.00 0.00 58 Q 7.65 4.59 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.36 0.00 0.00 0.00 0.00 0.00 2.27 2.44 0.00 59 E 8.58 4.48 0.00 1.92 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 0.00 2.49 2.27 0.00 60 E 8.42 4.42 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 61 A 8.21 4.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 9.07 4.37 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 63 T 8.10 5.49 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 1.19 0.00 0.00 64 I 7.72 4.32 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.18 0.88 0.00 0.00 65 D 8.58 5.21 0.00 2.74 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 66 V 8.53 3.66 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 0.84 0.00 0.00 0.99 0.00 0.00 67 R 7.82 3.93 0.00 1.86 2.06 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 68 E 8.01 3.87 0.00 2.01 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 0.00 2.31 2.34 0.00 69 I 7.77 3.77 2.02 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 1.52 0.67 0.91 0.00 0.00 70 D 8.61 4.33 0.00 2.82 2.67 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 71 E 8.31 4.19 0.00 1.95 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 2.33 2.62 0.00 72 N 8.00 5.03 0.00 2.67 2.70 0.00 0.00 6.84 7.19 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 73 V 7.55 3.22 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.29 0.00 0.00 74 T 7.65 3.90 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 75 L 7.20 4.09 0.00 1.55 1.77 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 76 L 7.65 4.45 0.00 1.88 1.65 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.12 4.00 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 78 A 7.75 4.49 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 79 D 8.27 4.59 0.00 2.75 2.60 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 80 D 7.61 4.24 0.00 3.00 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 81 V 8.27 4.47 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.92 0.00 0.00 82 A 8.17 4.22 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 83 E 8.98 3.81 0.00 1.99 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 2.24 1.95 0.00 *89 F 7.75 4.60 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.64 5.13 0.00 1.80 1.81 0.00 3.22 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 91 V 8.74 4.48 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 92 D 8.76 4.69 0.00 2.73 2.82 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 93 V 8.42 3.61 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 0.86 0.00 0.00 0.98 0.00 0.00 94 R 7.85 4.03 0.00 2.10 2.01 0.00 3.22 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 95 D 8.27 4.60 0.00 2.74 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 96 V 7.91 3.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 97 V 7.28 3.59 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 0.83 0.00 0.00 0.98 0.00 0.00 98 E 8.59 4.20 0.00 2.06 1.83 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 2.38 2.31 0.00 99 E 9.04 4.13 0.00 2.17 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 2.26 2.23 0.00 100 A 7.55 4.39 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 0.00 101 D 7.91 4.74 0.00 2.67 2.67 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 0.00 102 D 7.97 4.46 0.00 2.80 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 0.00 103 A 7.59 4.80 1.25 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 0.00 0.00 104 D 8.66 4.42 0.00 2.54 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 0.00 105 Y 6.41 4.84 0.00 3.37 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 0.00 106 V 8.89 4.70 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 0.89 0.00 0.00 0.94 0.00 0.00 107 K 9.43 4.66 0.00 2.02 1.66 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.51 7.81 108 V 8.35 4.56 1.77 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 0.98 0.00 0.00 0.75 0.00 0.00 109 L 9.21 4.57 0.00 1.73 1.57 0.92 0.81 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 0.00 110 G 8.20 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 0.00 0.00 0.00 0.00 111 A 8.28 4.63 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 0.00 112 G 8.95 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 0.00 0.00 0.00 113 Q 8.19 4.55 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 114 V 7.96 4.32 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 0.97 0.00 0.00 0.95 0.00 0.00 115 R 8.77 4.44 0.00 1.61 1.80 0.00 3.10 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 116 H 7.79 5.24 0.00 3.00 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.83 4.78 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 118 L 8.60 5.14 0.00 1.63 1.62 1.00 0.72 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 0.00 119 T 8.92 4.91 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 120 L 8.67 5.31 0.00 1.84 1.87 1.08 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.67 5.51 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.89 0.98 0.00 0.00 122 A 8.66 4.82 0.56 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 0.00 0.00 123 D 8.55 4.42 0.00 2.75 2.60 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 0.00 124 D 7.24 4.64 0.00 2.44 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 0.00 0.00 0.00 125 F 8.97 5.51 0.00 2.83 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 0.00 126 S 8.62 4.73 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 0.00 127 E 9.21 4.03 0.00 2.05 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 2.42 2.43 0.00 128 G 8.28 3.84 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 0.00 0.00 0.00 129 A 7.88 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.16 3.77 0.00 2.03 1.93 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.61 0.00 131 E 8.45 3.94 0.00 1.99 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 0.00 2.34 2.51 0.00 132 K 8.08 3.90 0.00 1.88 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.67 7.81 133 V 7.99 3.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.04 0.00 0.00 134 E 7.94 4.83 0.00 2.03 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 2.39 2.32 0.00 135 G 8.49 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 0.00 136 A 7.71 4.60 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 0.00 137 G 8.42 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.89 4.79 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 0.00 0.00 0.00 139 S 9.04 5.06 0.00 3.78 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.10 4.51 1.65 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 -0.97 0.00 0.00 0.47 0.00 0.00 141 E 9.51 4.59 0.00 1.94 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 2.23 2.21 0.00 142 L 8.42 5.06 0.00 1.67 1.60 1.30 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.55 4.15 4.34 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 1.26 0.00 0.00 144 D 8.75 4.37 0.00 2.71 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 0.00 145 L 7.98 3.93 0.00 1.61 1.83 1.02 1.01 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 0.00 146 G 7.86 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 0.00 147 E 8.00 4.52 0.00 2.09 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 2.35 2.46 0.00 148 E 8.27 4.79 0.00 1.81 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 2.21 2.53 0.00 149 R 7.40 4.56 0.00 1.74 1.82 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.71 0.00 150 Q 7.87 4.30 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.