NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.2655 8.3401 119.6836 55.1879 29.7714 175.8613 10 A 4.2109 8.1841 127.7981 50.8910 21.4208 173.4500 11 P 4.2211 0.0000 0.0000 62.3162 32.1209 175.3221 12 K 3.9043 8.5021 123.2389 56.9745 32.9204 176.1633 13 E 4.5715 8.5537 123.4601 54.9430 30.1972 175.2068 14 V 4.0094 8.5207 127.9869 62.5078 33.4938 174.6680 15 R 4.9850 9.1331 127.0185 55.2416 31.6893 175.2448 16 C 5.3995 9.4376 121.7008 57.7547 32.3614 172.7514 17 K 5.0548 8.9783 123.0662 54.9275 34.4339 174.8124 18 I 4.8974 8.8927 128.3376 59.6848 39.6736 174.5972 19 V 4.6675 9.2001 127.5209 61.4570 34.1162 174.1723 20 T 4.9564 8.5336 125.4031 62.0573 70.4582 173.9685 21 I 4.5782 8.4315 129.1252 60.9187 37.5197 175.4510 22 S 4.5762 8.7303 119.7548 57.8514 65.5688 174.9763 23 D 4.8436 8.9713 124.3458 54.4441 41.3902 177.0591 24 T 4.4359 7.6319 107.8653 62.7310 70.9362 175.0076 25 R 4.1034 8.0781 120.0970 56.4897 30.8723 175.6526 26 T 4.7504 8.5831 111.7233 60.0583 72.0023 175.3015 27 E 4.2042 9.0120 118.0597 59.2761 29.7171 179.3012 28 E 4.2474 8.2582 116.6709 58.6966 29.8050 177.4168 29 T 4.4236 7.2924 105.7381 61.6161 69.8118 176.0805 30 D 4.7070 8.0031 123.6180 53.5715 37.9335 175.7040 31 K 3.9176 8.0626 124.7881 59.3704 32.7160 177.9042 32 S 4.2897 8.1251 115.0277 61.4418 62.8710 176.7081 33 G 3.9664 8.6998 110.1662 47.3569 0.0000 175.8463 34 Q 3.9164 8.1348 120.4378 58.5449 28.6510 178.5315 35 L 3.9366 7.9035 121.3590 58.1070 42.1478 178.8902 36 L 3.9781 8.0161 118.9019 58.1186 41.5232 178.9884 37 H 4.0460 8.1146 117.9523 59.1748 29.7631 176.7795 38 E 3.8984 8.3070 121.0165 59.3745 29.5695 178.6672 39 L 3.9903 8.2284 119.2644 57.8517 41.6642 179.6097 40 L 4.0404 8.0522 118.7540 57.6423 41.6021 179.4795 41 K 4.0744 8.2741 119.6227 59.7660 31.9920 178.7792 42 E 4.0147 8.2276 117.0559 58.7588 29.4203 178.2569 43 A 4.3453 7.5801 118.2215 52.0619 18.9400 177.9677 44 G 3.7201 7.9539 105.6401 45.5310 0.0000 173.1242 45 H 4.9795 8.0345 117.4760 53.9636 31.4957 173.9359 46 K 4.6020 8.9926 119.2599 55.0806 35.8734 175.3109 47 V 4.7380 8.4065 126.6595 61.9741 32.0508 175.2346 48 T 4.5621 8.4875 117.9389 61.7394 69.8114 174.3939 49 S 4.7384 7.7797 115.8700 57.9446 65.9169 172.3271 50 Y 5.5440 8.3576 125.5638 56.8249 41.7201 173.2262 51 E 4.2141 8.3081 121.7795 55.3326 33.4541 174.0252 52 I 4.5745 7.9511 122.8520 60.1701 38.4892 175.4199 53 V 4.4902 8.4687 120.7022 58.9893 34.6125 175.8105 54 K 4.3758 8.5417 122.3878 56.9204 32.7976 177.2166 55 D 4.8195 9.4031 124.7732 52.7052 39.5048 174.8625 56 D 4.7206 7.9906 120.5747 49.9692 42.8687 176.8048 57 K 3.7667 8.9936 122.2779 60.2637 32.0052 178.7727 58 E 3.9543 8.1848 117.8332 59.6040 29.4314 179.5247 59 S 4.1469 9.0902 115.4810 61.4571 62.8791 176.7986 60 I 3.7063 7.7815 122.5216 64.5470 36.8128 178.5093 61 Q 3.9887 8.2416 118.9819 58.9590 28.4434 178.6575 62 Q 3.9337 8.1489 120.3676 59.2200 29.0014 178.2823 63 A 3.9713 8.1227 121.7878 54.9748 18.3607 179.8925 64 V 3.5383 7.8557 116.8674 66.2516 31.6553 178.4057 65 L 4.0802 8.3325 118.8553 57.5720 41.1635 179.3203 66 A 4.1738 8.2063 120.6339 55.0631 18.6927 179.6123 67 G 3.6931 7.9856 104.0404 48.0569 0.0000 175.2134 68 Y 3.9803 7.7399 121.0359 60.7985 38.9229 177.6924 69 H 4.4681 8.2859 114.7671 56.1453 29.3294 175.3820 70 K 4.1574 7.5299 123.9743 55.3469 32.2581 176.8545 71 E 3.9195 8.9843 125.6863 59.0715 29.2197 177.5119 72 D 4.8881 7.8108 117.1944 52.8756 40.1707 175.9823 73 V 4.3680 7.5489 118.9185 62.4028 33.7317 174.2339 74 D 4.8392 9.2733 126.8210 55.1243 43.2024 176.6529 75 V 4.7654 7.5978 116.4915 61.0122 35.7238 174.1394 76 V 4.8223 8.7076 126.2702 61.0680 34.2293 174.0547 77 L 5.4063 9.1063 128.1494 53.1695 44.4231 175.6188 78 T 5.8410 9.2894 114.2074 59.1015 72.2821 172.8004 79 N 4.9671 8.6699 119.3501 52.6930 40.8597 174.3235 80 G 4.1171 9.0375 107.4789 46.1798 0.0000 174.2500 81 G 4.0452 9.0088 104.7153 46.2050 0.0000 173.6493 82 T 4.3431 7.5046 110.4168 59.5994 70.3042 174.4381 83 G 4.0284 7.7700 112.2912 45.8126 0.0000 172.2113 84 I 4.1416 7.8804 111.4048 60.9059 38.4748 175.8807 85 T 4.4160 7.9475 113.1451 60.1289 70.1287 175.8223 86 K 4.0639 8.4484 120.5343 59.3403 32.6404 177.9277 87 R 4.1671 7.4451 113.7154 56.3491 29.8092 175.8041 88 D 4.7490 7.7752 119.4191 53.5093 41.0286 176.2575 89 V 4.4369 8.0762 115.8834 60.8168 33.2961 177.8013 90 T 3.8624 7.7922 117.7153 66.9458 68.1935 176.1882 91 I 3.7314 7.7567 120.7481 64.7266 37.0894 178.2893 92 E 3.9784 8.1756 118.4767 59.1138 29.1047 179.0802 93 A 3.9722 8.0793 120.3744 55.2836 18.8100 179.6240 94 V 3.6463 8.1321 117.1516 66.1015 31.2187 177.9333 95 S 4.0569 8.4968 113.1597 61.5612 61.9088 176.1080 96 A 4.0293 7.6780 122.1925 54.4022 18.1306 178.7193 97 L 4.2275 7.6376 116.0522 54.9638 42.5844 177.3776 98 L 4.2594 6.9339 118.8296 54.7914 42.2707 176.9432 99 D 4.4195 9.3501 124.5455 56.6085 41.2487 176.8561 100 K 4.5674 7.5917 118.4060 54.4301 35.5009 174.3162 101 E 4.5172 8.8476 128.5141 55.7935 30.7966 176.7128 102 I 4.2094 8.6056 129.4240 59.8187 35.8583 176.5811 103 V 3.8148 8.3919 120.5954 64.3534 31.6442 177.8487 104 G 3.7776 8.2306 104.6454 47.2931 0.0000 175.2871 105 F 4.5205 8.5249 123.4661 61.4114 39.5410 177.2985 106 G 3.5215 8.1900 104.7071 47.7557 0.0000 175.0636 107 E 3.9466 7.7396 119.7883 59.3781 29.6670 179.3469 108 L 4.1348 7.8917 117.4685 57.4087 41.9020 179.0197 109 F 4.2609 8.2567 120.9626 61.2687 39.1838 178.4340 110 R 3.9847 7.7432 115.1950 56.7229 29.6247 178.6510 *112 I 4.0644 7.7477 121.8694 61.5791 39.3411 178.2597 113 S 3.9149 7.8682 116.3194 61.5281 62.5230 176.1965 114 Y 4.0372 8.1074 122.2249 60.8469 38.4066 178.1568 115 L 4.0288 8.0200 117.9658 56.9408 41.9378 177.5878 116 E 4.4826 8.4108 116.4985 56.2589 30.9448 175.0148 117 D 4.7263 7.5812 114.8001 54.3702 43.9757 176.1970 118 I 4.2621 8.3414 109.7335 59.5112 39.3252 176.7710 119 G 3.3896 7.5805 111.2297 46.6151 0.0000 176.7546 120 S 4.3355 8.8568 116.0505 61.4499 62.6792 176.2888 121 S 4.1620 7.7841 115.8146 61.1751 63.3880 175.3166 122 A 4.4591 7.9203 125.5876 51.3274 16.5760 178.5383 *124 L 4.3736 7.6026 120.2741 54.4355 43.9001 178.6571 125 S 4.3942 7.8007 115.8017 58.5736 63.3425 173.4253 126 R 4.7822 8.2902 122.1493 54.4983 33.0363 174.8022 127 A 4.6624 8.2135 122.3991 51.4833 22.0889 175.1246 128 I 4.8797 8.7006 119.7994 59.8350 42.0705 173.9534 129 G 4.2047 8.6566 113.7086 44.7244 0.0000 171.4244 130 G 4.2818 8.0710 108.3954 46.0771 0.0000 171.9644 131 T 5.0579 8.3075 110.0856 60.0443 71.9484 174.3335 132 I 4.3217 8.2780 123.4493 59.5090 40.4510 175.2893 133 G 3.7353 9.4504 120.0337 47.3557 0.0000 173.4401 134 R 4.4900 8.7950 123.4800 55.9359 30.2823 175.5114 135 K 4.9376 8.2077 117.7210 54.5026 36.2592 175.3205 136 V 4.8021 8.0851 118.7078 59.9701 34.9710 174.7302 137 V 4.7807 8.5701 121.5936 61.1623 35.0635 174.1778 138 F 4.9689 9.0303 125.1835 55.8322 42.4190 174.1976 139 S 5.5457 9.2655 119.4914 55.3958 66.3304 171.8530 *141 P 4.4805 0.0000 0.0000 62.5532 32.1519 177.2137 142 G 3.8595 8.5019 107.6618 46.7261 0.0000 175.2324 143 S 4.3920 7.8293 116.0965 58.0658 65.1154 175.1862 144 S 4.2874 8.6992 118.9113 61.6531 62.8613 176.9632 145 G 3.5841 8.1107 108.6911 47.3663 0.0000 175.4796 146 A 4.1973 8.0924 123.1155 55.0109 18.2826 179.7729 147 V 3.5578 7.6526 115.3906 66.1911 31.6764 177.7277 148 R 4.0590 8.0806 117.2839 59.3924 30.1268 177.9312 149 L 4.1590 7.9820 119.5540 58.1185 42.1431 178.8253 150 A 4.3907 8.2501 117.0797 53.8955 18.0069 178.4449 *152 N 4.6216 7.9630 117.4546 54.0652 40.5057 176.1310 153 K 4.2599 8.3030 116.2342 58.0379 32.7463 177.0840 154 L 4.6395 7.8469 115.5732 56.5586 44.1369 178.6306 155 I 3.2997 7.8749 119.0187 64.3098 37.3019 178.4496 156 L 3.9873 7.9724 118.7142 57.5372 41.5637 177.3217 157 P 4.3866 0.0000 0.0000 64.6864 31.4854 176.7803 158 E 4.5983 7.5739 115.3412 56.0247 31.1869 177.6700 159 L 4.1049 8.2798 120.5103 57.9789 41.6687 179.4906 160 G 3.6764 8.1167 104.6149 48.1609 0.0000 174.8617 161 H 4.1591 8.2327 120.5667 58.9146 29.9257 176.9653 162 I 3.8047 8.1699 122.0344 64.8641 36.9711 178.4491 163 T 3.8550 8.0128 110.4114 64.7716 68.4747 176.0927 164 F 4.0630 8.2393 123.3585 61.1345 39.4975 176.6933 165 E 3.7707 8.5078 119.2267 59.3150 29.1817 178.7354 166 L 4.0784 7.9322 118.0132 57.7313 41.7998 178.7601 167 H 4.3040 8.2722 115.9488 58.4284 28.6338 177.6991 168 R 3.7646 7.5895 118.7345 59.3205 30.3105 176.3393 169 Q 3.4500 7.8119 122.7789 56.4120 30.4760 174.0349 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 9 Q 8.34 4.27 0.00 2.02 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 10 A 8.18 4.21 1.21 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 11 P 0.00 4.22 0.00 2.03 2.03 0.00 3.67 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 2.06 0.00 12 K 8.50 3.90 0.00 1.88 1.83 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 13 E 8.55 4.57 0.00 2.01 1.94 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 2.26 2.49 0.00 14 V 8.52 4.01 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 0.99 0.00 0.00 0.93 0.00 0.00 15 R 9.13 4.98 0.00 1.94 1.96 0.00 3.23 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 16 C 9.44 5.40 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 17 K 8.98 5.05 0.00 1.82 1.67 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.47 7.81 18 I 8.89 4.90 2.15 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 1.16 0.77 1.13 0.00 0.00 19 V 9.20 4.67 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 0.98 0.00 0.00 0.95 0.00 0.00 20 T 8.53 4.96 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 1.32 0.00 0.00 21 I 8.43 4.58 1.91 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 1.12 0.51 0.94 0.00 0.00 22 S 8.73 4.58 0.00 3.83 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 23 D 8.97 4.84 0.00 2.70 2.68 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 24 T 7.63 4.44 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 1.22 0.00 0.00 25 R 8.08 4.10 0.00 1.83 1.97 0.00 3.41 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 26 T 8.58 4.75 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 1.27 0.00 0.00 27 E 9.01 4.20 0.00 2.01 1.94 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 2.24 1.93 0.00 28 E 8.26 4.25 0.00 1.95 2.05 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 2.33 2.38 0.00 29 T 7.29 4.42 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 1.23 0.00 0.00 30 D 8.00 4.71 0.00 3.08 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 31 K 8.06 3.92 0.00 1.88 1.82 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.55 7.81 32 S 8.13 4.29 0.00 4.01 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 33 G 8.70 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 34 Q 8.13 3.92 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 35 L 7.90 3.94 0.00 1.87 1.86 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.02 3.98 0.00 1.94 1.72 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.11 4.05 0.00 3.21 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.31 3.90 0.00 2.05 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 2.37 2.34 0.00 39 L 8.23 3.99 0.00 1.85 1.72 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.05 4.04 0.00 1.86 1.75 0.91 0.70 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 41 K 8.27 4.07 0.00 1.95 1.97 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.50 7.81 42 E 8.23 4.01 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 43 A 7.58 4.35 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 44 G 7.95 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 45 H 8.03 4.98 0.00 3.13 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.99 4.60 0.00 1.95 1.58 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.37 7.81 47 V 8.41 4.74 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 0.89 0.00 0.00 0.70 0.00 0.00 48 T 8.49 4.56 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 1.24 0.00 0.00 49 S 7.78 4.74 0.00 3.91 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 50 Y 8.36 5.54 0.00 2.92 2.81 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 0.00 0.00 0.00 51 E 8.31 4.21 0.00 1.89 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 0.00 2.08 2.14 0.00 52 I 7.95 4.57 1.77 0.00 0.00 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 1.30 0.34 0.92 0.00 0.00 53 V 8.47 4.49 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 0.97 0.00 0.00 54 K 8.54 4.38 0.00 1.63 1.74 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.38 7.81 55 D 9.40 4.82 0.00 2.62 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 56 D 7.99 4.72 0.00 2.89 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.99 3.77 0.00 1.84 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.56 7.81 58 E 8.18 3.95 0.00 2.21 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 2.40 2.46 0.00 59 S 9.09 4.15 0.00 4.04 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 60 I 7.78 3.71 2.02 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 1.52 0.83 0.91 0.00 0.00 61 Q 8.24 3.99 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 62 Q 8.15 3.93 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 63 A 8.12 3.97 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 64 V 7.86 3.54 2.21 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 1.01 0.00 0.00 0.96 0.00 0.00 65 L 8.33 4.08 0.00 1.75 1.78 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.21 4.17 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.99 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.74 3.98 0.00 2.94 3.11 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 0.00 0.00 0.00 0.00 69 H 8.29 4.47 0.00 3.23 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.53 4.16 0.00 1.97 1.78 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.37 7.81 71 E 8.98 3.92 0.00 2.08 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 0.00 2.27 2.26 0.00 72 D 7.81 4.89 0.00 2.79 2.77 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 73 V 7.55 4.37 2.33 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 0.87 0.00 0.00 0.93 0.00 0.00 74 D 9.27 4.84 0.00 2.69 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 75 V 7.60 4.77 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 1.19 0.00 0.00 0.97 0.00 0.00 76 V 8.71 4.82 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 0.94 0.00 0.00 0.96 0.00 0.00 77 L 9.11 5.41 0.00 1.63 1.57 0.93 0.54 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 78 T 9.29 5.84 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 1.23 0.00 0.00 79 N 8.67 4.97 0.00 2.99 2.93 0.00 0.00 6.27 6.92 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 80 G 9.04 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 0.00 0.00 0.00 0.00 81 G 9.01 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 0.00 0.00 0.00 82 T 7.50 4.34 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 1.28 0.00 0.00 83 G 7.77 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 84 I 7.88 4.14 1.88 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 1.49 0.70 0.93 0.00 0.00 85 T 7.95 4.42 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 1.22 0.00 0.00 86 K 8.45 4.06 0.00 1.89 1.99 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.43 7.81 87 R 7.45 4.17 0.00 2.08 2.08 0.00 3.22 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 88 D 7.78 4.75 0.00 2.93 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 89 V 8.08 4.44 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 0.84 0.00 0.00 0.93 0.00 0.00 90 T 7.79 3.86 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 1.23 0.00 0.00 91 I 7.76 3.73 1.89 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 1.66 0.58 0.93 0.00 0.00 92 E 8.18 3.98 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 93 A 8.08 3.97 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 94 V 8.13 3.65 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 0.96 0.00 0.00 0.96 0.00 0.00 95 S 8.50 4.06 0.00 3.96 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 96 A 7.68 4.03 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 97 L 7.64 4.23 0.00 1.67 1.64 0.88 0.82 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 98 L 6.93 4.26 0.00 1.60 1.54 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.35 4.42 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 0.00 100 K 7.59 4.57 0.00 1.80 1.56 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.35 7.81 101 E 8.85 4.52 0.00 2.01 1.84 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 2.29 2.35 0.00 102 I 8.61 4.21 2.00 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 1.24 0.43 1.04 0.00 0.00 103 V 8.39 3.81 2.27 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 1.14 0.00 0.00 0.97 0.00 0.00 104 G 8.23 3.78 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.92 4.46 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 *124 L 7.60 4.37 0.00 1.79 1.81 0.94 0.99 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 0.00 125 S 7.80 4.39 0.00 4.15 4.11 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 0.00 0.00 0.00 0.00 126 R 8.29 4.78 0.00 1.78 1.82 0.00 3.25 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.80 0.00 127 A 8.21 4.66 0.72 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 0.00 128 I 8.70 4.88 1.94 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 1.21 1.01 0.96 0.00 0.00 129 G 8.66 4.20 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 0.00 130 G 8.07 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 0.00 131 T 8.31 5.06 4.20 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 1.15 0.00 0.00 132 I 8.28 4.32 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.87 0.26 0.00 0.00 133 G 9.45 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.80 4.49 0.00 1.78 1.92 0.00 3.10 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 135 K 8.21 4.94 0.00 1.98 1.81 0.00 1.26 0.00 0.00 1.67 0.00 0.00 2.71 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.29 1.28 7.81 136 V 8.09 4.80 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 0.70 0.00 0.00 0.34 0.00 0.00 137 V 8.57 4.78 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 1.05 0.00 0.00 0.87 0.00 0.00 138 F 9.03 4.97 0.00 2.78 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 S 9.27 5.55 0.00 3.75 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 *141 P 0.00 4.48 0.00 2.16 2.10 0.00 3.48 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 142 G 8.50 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 0.00 143 S 7.83 4.39 0.00 4.10 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 0.00 144 S 8.70 4.29 0.00 4.09 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 G 8.11 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.09 4.20 1.56 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 0.00 147 V 7.65 3.56 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 0.86 0.00 0.00 1.05 0.00 0.00 148 R 8.08 4.06 0.00 2.02 2.11 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 149 L 7.98 4.16 0.00 1.93 1.92 0.84 1.01 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 0.00 150 A 8.25 4.39 1.44 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 0.00 0.00 0.00 *152 N 7.96 4.62 0.00 2.86 2.95 0.00 0.00 7.08 7.61 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 0.00 153 K 8.30 4.26 0.00 1.90 1.89 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.56 7.81 154 L 7.85 4.64 0.00 1.98 1.78 1.07 0.96 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 0.00 155 I 7.87 3.30 1.63 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.42 0.47 0.00 0.00 156 L 7.97 3.99 0.00 1.63 1.77 0.98 1.05 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 0.00 157 P 0.00 4.39 0.00 2.04 2.12 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 158 E 7.57 4.60 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 159 L 8.28 4.10 0.00 1.65 1.67 0.74 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.12 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 0.00 161 H 8.23 4.16 0.00 3.24 3.49 0.00 5.69 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 0.00 162 I 8.17 3.80 2.10 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.72 0.97 0.00 0.00 163 T 8.01 3.86 4.10 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 1.25 0.00 0.00 164 F 8.24 4.06 0.00 3.21 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 0.00 165 E 8.51 3.77 0.00 2.20 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 2.34 2.38 0.00 166 L 7.93 4.08 0.00 1.70 1.82 0.97 0.96 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 0.00 167 H 8.27 4.30 0.00 3.16 3.31 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 R 7.59 3.76 0.00 1.51 1.77 0.00 2.92 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.00 169 Q 7.81 3.45 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.