NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5348 8.2893 120.3291 55.4152 33.4323 174.3776 2 S 4.5766 8.1270 114.3999 53.6281 66.4154 173.0688 3 S 4.3657 8.3304 117.4415 58.2638 65.8141 176.7396 4 R 4.2027 8.4659 119.4865 58.5008 29.1655 178.9095 5 S 4.0937 7.9198 114.4762 61.5923 62.6117 175.1884 6 E 4.2891 8.0913 121.8863 59.1912 29.2624 178.3145 7 L 3.9383 8.4679 120.7855 58.2157 42.0923 178.4807 8 L 3.9687 8.0678 120.0632 58.2390 41.9813 178.4497 9 L 4.0619 8.1643 119.9537 58.4843 41.9054 178.6662 10 E 3.9455 8.3370 118.0221 59.6757 29.6380 179.5226 11 K 4.1116 8.3866 118.4839 59.5249 31.9770 179.2617 12 F 4.1728 8.7086 120.9620 61.4606 39.3834 176.6476 13 A 3.6184 8.5236 121.0060 55.0633 17.9484 179.1002 14 E 3.8471 8.4523 115.9173 59.5954 29.4953 179.1688 15 K 4.0094 7.6201 119.2481 59.0728 32.4000 178.3561 16 I 3.6308 7.3139 117.7610 61.8646 37.8314 175.3145 17 G 4.0773 7.4904 107.8492 46.3938 0.0000 174.4572 18 I 3.9505 7.2814 117.9483 60.3580 38.7432 174.3510 19 G 4.1362 7.7855 111.3743 44.0521 0.0000 172.2734 20 S 3.6471 8.5977 114.6413 58.7983 59.4183 171.7965 21 I 4.6509 7.2999 121.9683 59.4784 40.9096 174.6351 22 S 4.7615 7.6761 114.6845 58.5807 65.0072 174.7285 23 F 4.6127 8.4219 119.9429 56.5244 39.4949 176.7747 24 N 4.7284 9.2818 123.7928 52.1166 38.3896 175.0755 25 E 3.9021 8.7916 115.0618 59.6594 29.4028 177.2964 26 N 4.6228 8.2604 114.1040 52.8275 38.8114 174.9250 27 R 3.9696 8.2146 116.4699 57.3199 27.9534 175.8765 28 L 4.9865 8.3257 116.7583 53.4680 44.7973 175.8886 29 C 4.4420 8.2910 118.7243 58.9788 33.5138 173.1409 30 S 4.7439 8.1157 123.2387 56.8164 65.5168 173.3134 31 F 5.4953 8.5659 119.0381 55.7297 43.1703 174.0327 32 A 4.8685 9.4676 121.9832 50.2860 21.7836 175.2127 33 I 4.8909 8.5091 122.5929 59.6163 39.9224 174.8014 34 D 4.8946 8.7569 126.6344 52.9110 43.0175 176.8021 35 E 4.3432 8.4379 120.4143 54.2527 30.4124 175.3779 36 I 3.8364 7.6801 123.1484 60.8314 38.1325 175.3748 37 Y 4.6356 8.0266 120.4894 56.4048 40.7130 174.4731 38 Y 4.5902 8.7489 122.5911 56.7345 39.6758 174.6708 39 I 5.2140 8.5376 124.7850 59.7176 40.4600 175.3871 40 S 4.7234 9.0473 120.4276 57.0135 66.7456 173.0220 41 L 4.9600 8.7184 124.8259 53.6458 43.1383 175.9709 42 S 4.6235 8.8926 117.5617 56.4735 65.4216 173.1663 43 D 4.4796 8.7187 128.1076 54.3458 38.7442 175.7758 44 A 4.0743 8.6214 125.8608 52.6173 18.2248 179.6742 45 N 4.9694 5.7700 119.5793 50.4310 40.6780 175.8058 46 D 4.8054 8.6029 118.2860 53.5835 39.8832 175.8924 47 E 4.4947 10.7800 121.4479 56.8319 32.6900 175.0707 48 Y 4.9985 8.2894 115.0681 56.3555 42.6887 173.8917 49 M 5.1680 9.8499 121.9537 54.1167 36.4591 174.1610 50 M 5.2677 9.0086 122.1402 53.5775 35.6934 174.6932 51 I 4.7128 8.6966 125.8142 60.3196 39.1145 174.3854 52 Y 5.0623 9.1760 125.4685 56.1777 41.1299 175.3414 53 G 4.2845 9.3744 112.4750 44.6991 0.0000 172.8602 54 V 4.0112 8.6856 127.9701 62.6397 31.0480 175.5240 55 C 4.9546 9.1407 126.8336 60.0688 29.1046 174.2219 56 G 4.2388 8.0259 104.7362 42.9075 0.0000 171.7202 57 K 4.6453 8.1205 120.3380 55.8305 32.6754 177.1625 58 F 4.3101 9.6493 129.5132 57.3209 39.9829 173.8748 59 P 4.6561 0.0000 0.0000 62.8007 30.2927 176.9118 60 T 4.4424 8.6867 115.4062 63.2589 69.0391 175.4121 61 D 4.4345 7.9478 121.8127 54.9864 40.5220 175.8245 62 N 4.6633 7.9060 119.6499 52.2958 38.5104 175.5770 63 S 4.3008 8.7583 123.2979 61.6613 63.4047 176.3721 64 N 4.3485 8.4564 117.5743 56.8603 38.8792 176.1660 65 F 4.3231 8.7093 121.2727 61.1186 39.4561 176.4424 66 A 4.2806 8.0983 118.6730 55.7291 18.3316 179.6985 67 L 3.9584 7.7354 116.5299 57.8729 41.6817 179.4234 68 E 3.9661 8.5709 119.8325 59.1110 29.6225 178.9719 69 I 3.6320 7.3839 119.5437 64.2859 37.0448 178.1870 70 L 4.0519 7.8641 118.8386 57.7493 41.5935 178.7612 71 N 4.5051 8.1696 116.6812 56.2040 38.8174 176.8990 72 A 4.1816 7.9739 122.3662 54.9418 18.4238 179.1650 73 N 4.5436 8.3187 114.8106 56.2437 38.3606 177.4348 74 L 4.0253 7.7873 120.7303 57.3328 41.7647 179.2474 75 W 3.9624 8.4942 128.5677 60.5783 30.5139 178.2662 76 F 3.7688 8.4713 115.6676 60.1988 38.4512 177.0959 77 A 3.9832 7.9674 120.0585 54.8943 18.1675 179.1207 78 E 3.9662 7.3896 116.6044 60.0393 30.0425 177.3730 79 N 4.6229 7.3660 115.1359 51.4419 42.2800 173.9959 80 G 3.4048 8.4816 104.8704 48.4366 0.0000 173.7887 81 G 4.9071 8.0361 123.5672 45.3686 0.0000 170.8293 82 P 4.7340 0.0000 0.0000 62.2536 32.5194 176.1535 83 Y 4.2783 9.5708 121.7904 57.2929 39.7866 175.0804 84 L 4.7639 8.7149 123.9556 54.3084 41.9982 175.7457 85 C 4.9904 9.3209 122.0202 57.8902 32.1636 172.2937 86 Y 5.0637 8.4169 120.0860 55.8260 41.4896 173.9269 87 E 4.2968 7.8064 126.6560 54.1966 31.8030 176.1156 88 A 3.7765 8.7992 130.4639 55.5684 18.0514 178.8750 89 G 3.5877 7.3871 98.8365 49.3075 0.0000 173.3564 90 A 4.2446 9.6643 124.7887 50.6011 19.5194 177.2848 91 Q 3.2145 7.5429 115.3318 57.1288 27.3430 173.4136 92 S 5.3145 7.2683 110.3982 56.6570 66.5569 173.4458 93 L 4.7272 9.0353 124.4315 54.5441 42.8526 175.2639 94 L 5.1961 9.0494 127.2533 52.9755 44.9874 175.8039 95 L 5.0510 8.6645 124.0120 53.5488 44.0000 174.7258 96 A 4.9580 9.1931 129.2527 50.5165 21.6079 175.5674 97 L 4.7869 8.1033 122.6267 53.8603 45.8310 175.1077 98 R 4.7374 8.6077 122.9948 55.5795 31.4411 175.5626 99 F 4.9833 9.9472 123.7906 55.7380 42.3549 172.3516 100 P 4.1170 0.0000 0.0000 62.3218 32.2316 176.5449 101 L 3.9573 7.8915 122.0784 57.3227 41.8749 175.9299 102 D 4.4253 7.6152 117.9469 55.9877 40.4063 175.5962 103 D 4.5295 8.8319 122.5191 54.6313 37.9641 174.6692 104 A 4.2472 8.1218 122.3855 52.5896 19.0897 178.0760 105 T 4.7721 8.3078 109.2603 58.4828 71.8573 173.0441 106 P 4.2763 0.0000 0.0000 66.0983 31.1926 178.8208 107 E 3.9803 7.7754 117.4044 59.3762 29.3939 179.4822 108 K 4.1638 8.5125 119.0445 59.3332 32.1493 179.2561 109 L 3.2802 7.8421 120.2738 57.5981 42.0185 178.4482 110 E 3.9312 8.3618 119.8736 59.0068 29.5863 178.5316 111 N 4.3520 8.2432 116.6396 56.3131 38.7628 177.2261 112 E 4.0124 8.2460 119.9071 59.6294 29.6148 179.4695 113 I 3.6941 7.7584 119.7124 64.5223 37.2175 178.3524 114 E 4.0537 8.2423 119.0070 58.9540 29.1880 179.6118 115 V 3.7821 7.6731 112.8489 63.9614 31.6433 178.6628 116 V 3.6422 7.7702 118.0176 65.7549 31.3377 178.3230 117 V 3.3666 7.7100 118.0605 65.9988 31.4013 178.3077 118 K 4.0179 7.9421 117.9530 59.3460 31.7069 179.6840 119 S 4.4348 8.3007 115.8334 61.9949 62.7772 176.5572 120 M 3.9597 8.3723 121.4801 58.0854 31.7086 178.5420 121 E 4.2659 8.1271 119.8317 59.4061 29.8883 178.5679 122 N 4.2974 8.4036 116.6613 56.1018 38.5239 176.9268 123 L 3.8981 8.2641 122.0054 58.5373 42.2113 178.4515 124 Y 4.3197 8.1062 116.5880 61.2755 37.8645 178.8336 125 L 4.0049 7.9794 120.8146 58.1293 41.9708 179.2190 126 V 3.6260 7.6507 117.4268 65.5336 31.7166 177.8862 127 L 4.2083 8.3002 119.3492 58.3305 41.5179 179.2814 128 H 4.5556 8.9772 116.4121 58.6264 28.3475 176.7297 129 N 4.9163 7.9759 115.7796 53.5263 38.4857 175.1531 130 Q 4.4387 8.0541 120.9102 55.1037 30.2624 177.0601 131 G 4.0178 8.3388 105.3215 46.3539 0.0000 174.5000 132 I 3.8842 6.9818 120.0879 61.9942 37.6726 175.3874 133 T 4.6243 7.8190 115.5636 61.3105 70.1715 173.4851 134 L 3.8503 8.6305 128.4339 57.0849 42.4332 176.7271 *140 K 3.9913 7.7016 120.7448 56.3515 33.0870 173.8417 141 I 5.1558 8.1614 127.4750 59.2488 40.0172 174.3864 142 E 4.8589 9.1358 125.8889 54.5137 33.0891 174.5063 143 E 4.7423 9.0215 123.2883 56.8671 30.8725 175.2813 144 I 4.5850 8.0602 116.4157 59.7966 41.0450 173.8206 145 S 4.2942 8.5848 116.5097 58.2013 62.9255 174.2126 146 S 4.3701 8.5018 122.1653 58.6979 62.8820 173.9402 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 M 8.29 4.53 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 S 8.13 4.58 0.00 4.04 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 3 S 8.33 4.37 0.00 4.07 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 4 R 8.47 4.20 0.00 2.08 2.25 0.00 2.97 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 5 S 7.92 4.09 0.00 3.88 3.85 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 6 E 8.09 4.29 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.68 0.00 7 L 8.47 3.94 0.00 1.79 1.80 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.07 3.97 0.00 2.03 1.92 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.16 4.06 0.00 1.86 1.91 0.90 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.34 3.95 0.00 2.25 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 2.35 2.62 0.00 11 K 8.39 4.11 0.00 1.85 1.91 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.64 7.81 12 F 8.71 4.17 0.00 3.12 3.30 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 13 A 8.52 3.62 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 14 E 8.45 3.85 0.00 2.06 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 0.00 2.50 2.31 0.00 15 K 7.62 4.01 0.00 1.77 2.05 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.38 7.81 16 I 7.31 3.63 0.99 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.54 0.53 0.00 0.00 17 G 7.49 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.28 3.95 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.87 0.00 0.00 19 G 7.79 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.60 3.65 0.00 4.00 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 21 I 7.30 4.65 1.91 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.64 0.88 0.00 0.00 22 S 7.68 4.76 0.00 4.11 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 23 F 8.42 4.61 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 9.28 4.73 0.00 2.83 3.00 0.00 0.00 6.39 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 25 E 8.79 3.90 0.00 2.10 2.15 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 2.29 2.29 0.00 26 N 8.26 4.62 0.00 2.84 2.89 0.00 0.00 6.99 7.66 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 27 R 8.21 3.97 0.00 1.91 1.90 0.00 3.00 0.00 0.00 3.03 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 28 L 8.33 4.99 0.00 1.89 1.58 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.29 4.44 0.00 2.52 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 30 S 8.12 4.74 0.00 3.72 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 31 F 8.57 5.50 0.00 2.96 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 32 A 9.47 4.87 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 33 I 8.51 4.89 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.90 0.00 0.00 34 D 8.76 4.89 0.00 2.53 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 35 E 8.44 4.34 0.00 1.83 1.59 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 2.02 2.21 0.00 36 I 7.68 3.84 1.68 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 1.35 0.72 0.45 0.00 0.00 37 Y 8.03 4.64 0.00 2.89 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 38 Y 8.75 4.59 0.00 3.12 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.54 5.21 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.52 0.95 0.00 0.00 40 S 9.05 4.72 0.00 3.86 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 41 L 8.72 4.96 0.00 1.54 1.59 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.89 4.62 0.00 4.12 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 43 D 8.72 4.48 0.00 2.75 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 44 A 8.62 4.07 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 45 N 5.77 4.97 0.00 2.95 2.92 0.00 0.00 7.01 7.94 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 46 D 8.60 4.81 0.00 2.79 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 47 E 10.78 4.49 0.00 2.07 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 0.00 2.24 1.88 0.00 48 Y 8.29 5.00 0.00 2.90 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 49 M 9.85 5.17 0.00 2.34 2.02 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.54 0.00 50 M 9.01 5.27 0.00 1.35 1.96 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.62 0.00 51 I 8.70 4.71 1.82 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 1.12 1.15 0.89 0.00 0.00 52 Y 9.18 5.06 0.00 2.94 2.83 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 53 G 9.37 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 54 V 8.69 4.01 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.01 0.00 0.00 55 C 9.14 4.95 0.00 3.10 2.99 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 56 G 8.03 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 0.00 0.00 0.00 0.00 57 K 8.12 4.65 0.00 1.69 1.83 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.45 7.81 58 F 9.65 4.31 0.00 3.34 3.38 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 59 P 0.00 4.66 0.00 2.03 1.98 0.00 3.26 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.01 0.00 60 T 8.69 4.44 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 61 D 7.95 4.43 0.00 2.81 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 62 N 7.91 4.66 0.00 2.65 2.80 0.00 0.00 7.07 7.71 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 63 S 8.76 4.30 0.00 3.96 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 64 N 8.46 4.35 0.00 2.81 2.96 0.00 0.00 7.20 6.61 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 65 F 8.71 4.32 0.00 2.96 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 66 A 8.10 4.28 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 67 L 7.74 3.96 0.00 1.95 1.75 0.94 0.80 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 68 E 8.57 3.97 0.00 1.98 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 2.32 0.00 69 I 7.38 3.63 1.95 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.84 0.94 0.00 0.00 70 L 7.86 4.05 0.00 1.86 1.75 0.92 0.92 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 71 N 8.17 4.51 0.00 2.95 2.99 0.00 0.00 7.02 8.09 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 72 A 7.97 4.18 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.32 4.54 0.00 3.02 2.95 0.00 0.00 6.91 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.79 4.03 0.00 1.96 1.78 1.04 1.22 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 75 W 8.49 3.96 0.00 3.35 3.29 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 76 F 8.47 3.77 0.00 3.11 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.97 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 78 E 7.39 3.97 0.00 1.68 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 0.00 2.25 2.56 0.00 79 N 7.37 4.62 0.00 1.98 2.31 0.00 0.00 6.95 7.13 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 80 G 8.48 3.40 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 81 G 8.04 4.91 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 82 P 0.00 4.73 0.00 1.91 2.02 0.00 4.10 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.21 0.00 83 Y 9.57 4.28 0.00 2.84 2.88 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 84 L 8.71 4.76 0.00 1.64 1.62 0.99 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 85 C 9.32 4.99 0.00 2.87 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 86 Y 8.42 5.06 0.00 2.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.81 4.30 0.00 1.84 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 88 A 8.80 3.78 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 89 G 7.39 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 90 A 9.66 4.24 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.54 3.21 0.00 2.32 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 92 S 7.27 5.31 0.00 3.85 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 93 L 9.04 4.73 0.00 2.09 1.80 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 94 L 9.05 5.20 0.00 1.69 1.70 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.66 5.05 0.00 1.87 1.53 0.44 1.03 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 96 A 9.19 4.96 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 97 L 8.10 4.79 0.00 1.81 1.46 1.01 0.86 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 98 R 8.61 4.74 0.00 1.80 1.75 0.00 2.21 0.00 0.00 2.74 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 99 F 9.95 4.98 0.00 2.91 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 0.00 100 P 0.00 4.12 0.00 1.88 1.99 0.00 3.31 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 1.48 1.85 0.00 101 L 7.89 3.96 0.00 1.50 1.68 1.01 1.21 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 0.00 102 D 7.62 4.43 0.00 2.49 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.83 4.53 0.00 2.78 2.79 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 0.00 104 A 8.12 4.25 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 0.00 105 T 8.31 4.77 4.41 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 1.30 0.00 0.00 106 P 0.00 4.28 0.00 2.18 2.17 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 107 E 7.78 3.98 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 108 K 8.51 4.16 0.00 2.23 2.16 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.52 7.81 109 L 7.84 3.28 0.00 1.55 1.58 0.77 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.36 3.93 0.00 2.16 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 2.30 2.33 0.00 111 N 8.24 4.35 0.00 2.97 2.90 0.00 0.00 7.00 7.56 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 0.00 112 E 8.25 4.01 0.00 1.93 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 2.89 3.15 0.00 113 I 7.76 3.69 1.86 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 1.44 0.74 0.88 0.00 0.00 114 E 8.24 4.05 0.00 2.25 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 2.30 2.57 0.00 115 V 7.67 3.78 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 0.86 0.00 0.00 1.07 0.00 0.00 116 V 7.77 3.64 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 1.10 0.00 0.00 1.00 0.00 0.00 117 V 7.71 3.37 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 0.48 0.00 0.00 0.88 0.00 0.00 118 K 7.94 4.02 0.00 1.91 1.88 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.73 7.81 119 S 8.30 4.43 0.00 4.20 4.43 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.37 3.96 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.57 0.00 121 E 8.13 4.27 0.00 2.19 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 0.00 2.42 2.55 0.00 122 N 8.40 4.30 0.00 2.80 2.36 0.00 0.00 6.68 6.34 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 0.00 123 L 8.26 3.90 0.00 1.95 1.71 0.78 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 8.11 4.32 0.00 3.10 2.71 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 0.00 125 L 7.98 4.00 0.00 1.89 1.81 0.93 0.81 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 0.00 126 V 7.65 3.63 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 0.81 0.00 0.00 0.75 0.00 0.00 127 L 8.30 4.21 0.00 2.00 1.85 1.14 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.98 4.56 0.00 3.19 3.34 0.00 5.63 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 7.98 4.92 0.00 2.79 2.85 0.00 0.00 6.73 7.81 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 0.00 130 Q 8.05 4.44 0.00 2.47 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.50 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 131 G 8.34 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 0.00 0.00 0.00 132 I 6.98 3.88 2.12 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.69 0.99 0.00 0.00 133 T 7.82 4.62 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 1.16 0.00 0.00 134 L 8.63 3.85 0.00 1.74 1.74 1.15 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 *140 K 7.70 3.99 0.00 1.85 1.76 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 I 8.16 5.16 1.82 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 0.78 0.00 0.00 142 E 9.14 4.86 0.00 2.05 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 2.22 2.30 0.00 143 E 9.02 4.74 0.00 2.16 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 2.02 2.15 0.00 144 I 8.06 4.59 1.86 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 1.11 0.63 0.97 0.00 0.00 145 S 8.58 4.29 0.00 3.83 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 0.00 146 S 8.50 4.37 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.