NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3905 8.3049 120.3194 54.7639 33.6660 174.0947 2 K 4.3337 8.1224 118.6358 55.9619 33.3337 174.7331 3 K 5.1771 10.5364 127.3362 54.6859 35.7583 174.3392 4 I 5.1200 8.9545 127.5002 59.4241 40.7597 174.0567 5 L 5.2188 8.9980 127.8944 53.2521 44.8701 174.5301 6 L 5.1760 9.2213 129.0920 53.7153 44.0157 174.8737 7 L 5.5517 9.4331 126.2748 53.0965 45.3013 175.2115 8 N 5.4098 9.1702 120.2394 51.7637 42.2480 175.0983 9 G 4.2965 8.8882 113.8143 43.7451 0.0000 171.2646 10 P 4.3002 0.0000 0.0000 64.5285 31.4085 177.4488 11 N 4.4371 9.5472 116.4940 54.0696 38.1228 176.4546 12 L 4.0310 7.5086 117.7947 57.0653 41.7860 178.7291 13 N 4.4466 7.9794 114.7811 55.0800 37.7152 175.5151 14 M 4.2912 8.1808 118.5485 55.3005 32.1032 176.0087 15 L 4.0924 7.6281 120.7396 56.3131 42.0898 177.9924 16 G 3.9820 8.7903 110.2414 46.3317 0.0000 173.5291 17 K 4.3135 7.8360 117.1796 56.2885 32.2122 176.2963 *26 Q 4.1181 7.8190 117.4698 56.1827 29.7402 174.7778 27 T 4.7459 8.2844 111.3209 59.1791 72.2347 175.4142 28 L 3.7785 8.0993 121.8913 58.2638 41.9552 178.6213 29 S 4.0954 7.7794 113.9106 60.7789 62.2930 175.5752 30 D 4.1783 7.7304 121.2372 57.4009 40.5500 179.0366 31 I 3.5109 7.2159 120.0266 64.2560 36.5552 178.2142 32 E 3.6697 7.8564 119.4063 59.6167 29.1682 179.6440 33 Q 3.9907 7.9589 118.0263 59.1489 28.5968 178.6081 34 H 4.3030 8.0810 117.3904 58.8773 28.6539 177.8985 35 L 4.0129 8.0866 120.9095 57.6140 41.4176 179.3227 36 Q 4.0197 8.1693 119.7485 59.1194 29.1212 178.0100 37 Q 3.9911 8.2955 120.6643 59.5472 27.9677 178.6001 38 S 4.1902 8.4643 116.1150 61.2331 62.7928 176.6495 39 A 4.0842 8.3425 123.9777 55.4053 18.2368 179.8034 40 Q 4.2933 8.6355 117.5709 58.3006 28.5245 178.5823 41 A 4.2456 7.8415 120.5560 53.9071 18.3327 177.9355 42 Q 4.5246 7.1591 112.2286 55.4991 29.5296 176.2857 43 G 3.8528 8.3237 104.9546 46.2509 0.0000 173.4592 44 Y 4.5906 8.0834 117.0064 56.2765 40.8188 174.3987 45 E 4.8329 8.7878 120.5351 54.8239 32.3847 175.1053 46 L 5.2772 8.4159 124.1051 53.7709 45.1968 175.0397 47 D 5.1799 9.1461 125.8119 52.8945 43.9755 174.8107 48 Y 5.5542 7.6302 117.2118 55.9748 41.5403 174.0110 49 F 5.0641 9.1360 121.5127 57.4724 43.4661 172.6182 50 Q 5.3816 7.6608 124.0998 53.9165 32.0339 173.4060 51 A 4.4411 8.2785 125.0149 51.0619 22.3119 175.5293 52 N 4.8037 8.7706 115.4561 52.9729 39.3480 175.8212 53 G 4.5134 7.7100 104.3386 42.1682 0.0000 173.7890 54 E 3.7733 8.6049 121.2822 59.0008 29.4539 179.3017 55 E 3.8688 8.1000 118.8404 59.4680 29.8007 178.9209 56 S 4.1997 8.0790 114.5650 61.6849 62.9968 176.6085 57 L 4.2546 7.9842 121.1993 57.9398 41.3315 179.6576 58 I 3.6066 8.2522 120.1754 64.3438 37.0003 178.2632 59 N 4.2099 8.3020 117.5858 56.2307 38.0960 177.4861 60 R 3.8198 7.4157 118.8618 59.2008 30.4493 178.3673 61 I 3.8433 7.5820 119.8175 64.6669 37.0934 178.1208 62 H 4.2753 8.3517 117.2564 58.9867 28.2866 177.9100 63 Q 4.0931 8.0042 118.6401 58.4161 28.8105 177.9299 64 A 4.2750 7.8409 120.4692 52.0492 18.6155 176.9740 65 F 4.4137 7.4395 120.0371 60.0208 39.6113 175.3471 66 Q 3.4318 8.6842 124.8208 56.2312 26.3049 173.3508 67 N 4.9598 8.1251 112.9009 52.0102 38.7549 174.3351 68 T 4.6838 7.8329 115.4777 62.0914 71.0071 173.4200 69 D 4.8462 8.8550 125.0940 55.5750 42.2875 176.5022 70 F 4.8444 7.9616 118.6984 57.0687 43.1015 172.7148 71 I 5.2390 8.5613 124.9179 59.6386 40.9731 174.4146 72 I 5.2030 8.9943 126.8289 59.6770 39.8853 174.4910 73 I 5.1388 9.1092 127.1969 59.2998 41.8018 173.3925 74 N 5.3708 9.0689 128.0199 50.4595 40.0104 173.0352 75 P 4.5526 0.0000 0.0000 62.5957 32.9327 178.1596 76 G 3.7357 8.6198 107.9212 45.9564 0.0000 176.1840 77 A 4.1165 8.4185 121.8624 55.2035 18.6678 179.4576 78 F 4.9412 7.6701 113.5241 59.6093 39.3606 177.6187 79 T 3.9611 8.2056 118.4058 66.7050 68.2748 175.6130 80 H 4.9796 8.2746 115.7713 55.9022 29.3113 175.8836 81 T 4.6714 7.9949 107.6609 61.2982 70.2873 173.1582 82 S 4.5674 8.4893 117.8811 56.9116 61.3262 174.2717 83 V 3.3328 7.6849 127.7633 65.0698 31.3150 177.3322 84 A 3.8631 7.6590 120.4246 55.1710 18.2715 179.5171 85 I 3.5976 7.7562 118.3539 64.0978 37.1180 178.5136 86 R 3.8367 7.5351 118.4659 59.7940 29.9166 178.4684 87 D 4.3850 8.2953 118.2013 56.9274 40.6143 178.7516 88 A 3.9595 7.8124 121.7508 55.0762 16.9047 179.6379 89 L 3.8719 7.8837 117.5288 57.9308 41.4954 179.8314 90 L 4.3366 8.0762 118.7733 57.6311 41.3224 179.3522 91 A 3.9298 7.9653 120.1584 54.6002 18.3839 179.1257 92 V 3.8031 7.4431 107.7840 60.4199 32.6522 176.0129 93 S 3.7568 7.6580 114.3850 59.8926 60.9285 172.6097 94 I 4.4743 7.0859 119.2934 58.4458 39.3322 174.6221 95 P 4.4841 0.0000 0.0000 63.0007 32.4703 175.1756 96 F 5.2765 7.9350 115.1742 55.4798 42.0371 172.5207 97 I 4.9557 9.0317 119.5039 59.2725 41.0321 173.6192 98 E 5.0702 8.9721 130.1752 55.2285 31.3042 174.8920 99 V 4.8650 8.6096 125.5305 61.5072 35.5918 173.7835 100 H 4.8673 8.7721 122.5509 54.2119 32.8000 174.2573 101 L 4.1048 8.9710 123.4805 57.7912 42.3855 177.9025 102 S 4.6593 7.9288 111.0341 56.8210 64.7986 173.4609 103 N 4.5854 8.3187 119.5179 52.4207 37.7515 175.7446 104 V 3.6318 8.1428 120.5850 64.4800 31.8697 178.5478 105 H 4.0705 8.0487 115.6176 57.6633 28.5967 175.8578 106 A 4.4568 7.8126 120.6593 52.1153 19.4286 177.2615 107 R 4.6996 7.0880 116.4601 54.6139 32.4485 175.9359 108 E 3.8900 8.1373 117.8649 56.6129 30.1874 176.1040 109 P 3.5177 0.0000 0.0000 65.4570 31.4945 178.6734 110 F 4.2993 7.6340 111.3730 58.9586 37.8852 175.8761 111 R 3.7631 7.0170 119.1474 56.6386 30.0696 176.8184 112 H 4.4825 7.9761 115.2945 57.0806 29.2330 174.6656 113 H 4.8832 8.0352 119.7262 53.9910 31.8517 172.4977 114 S 4.8799 7.9061 119.5790 56.8678 64.8740 173.0508 115 Y 4.6008 8.9285 124.2626 58.4328 38.1575 175.9363 116 L 4.8542 7.7788 120.4457 55.8396 44.1360 178.5493 117 S 4.2399 8.4154 115.2208 61.7733 62.8522 176.5139 118 D 4.5015 8.1536 117.3585 55.2801 39.4054 177.0189 119 V 4.1921 7.7061 110.9829 60.8694 32.5889 175.7692 120 A 2.8638 7.2021 122.0100 50.8454 19.0858 177.6989 121 K 4.0894 8.3916 122.3209 59.5443 33.0876 176.8003 122 G 4.0212 7.4881 104.7358 45.5661 0.0000 172.1336 123 V 5.1488 8.0373 118.5790 61.1754 34.9892 174.2641 124 I 4.7708 8.7696 127.5122 59.5747 40.5750 174.2299 125 C 5.1451 8.7229 121.0872 58.0332 32.2118 174.4735 126 G 3.9694 9.2696 111.2403 45.4453 0.0000 173.5667 127 L 4.5262 7.7445 118.0551 53.6902 42.7501 178.6295 128 G 3.7357 8.2185 108.1192 46.1454 0.0000 175.7467 129 A 4.2313 8.6157 119.4731 55.3108 18.4059 179.8498 130 K 4.2875 7.5635 117.9097 58.6666 32.0564 179.4099 131 G 3.6997 8.0151 106.3998 48.0547 0.0000 175.3740 132 Y 4.0819 8.0043 118.5768 60.7957 37.7165 178.1773 133 D 4.3119 7.8339 119.3929 57.7253 40.9489 178.3820 134 Y 4.9004 7.7871 118.2095 60.5546 37.8181 178.2856 135 A 4.1061 8.2442 121.8881 55.0467 18.4316 179.5042 136 L 3.8856 8.0711 118.9066 58.2727 42.2258 178.6925 137 D 4.3258 8.0893 118.9342 57.4347 40.7936 178.7035 138 F 4.0968 8.4246 120.6420 61.1938 39.4234 176.7156 139 A 2.5800 7.7452 120.2645 54.9199 17.8170 179.7124 140 I 3.0786 7.1397 116.6161 64.1892 37.4014 178.2600 141 S 4.1126 7.7954 114.0357 61.5026 60.9944 176.1917 142 E 3.8234 7.8999 121.5506 59.0557 28.9376 178.5654 143 L 3.9732 7.5738 116.1381 55.9176 42.0511 177.9535 144 Q 4.5177 7.6817 118.5274 56.8643 29.8539 177.2921 145 K 4.1484 7.3457 116.6375 58.1572 32.6599 176.9091 146 I 4.0879 7.6581 126.1257 61.6768 37.4002 175.1644 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 8.30 4.39 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 2 K 8.12 4.33 0.00 1.72 1.99 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.57 7.81 3 K 10.54 5.18 0.00 1.85 1.78 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.49 7.81 4 I 8.95 5.12 1.97 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 1.05 0.00 0.00 5 L 9.00 5.22 0.00 1.80 1.58 1.06 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.22 5.18 0.00 1.94 1.84 1.19 0.31 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 7 L 9.43 5.55 0.00 1.66 1.65 0.96 0.68 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 8 N 9.17 5.41 0.00 2.64 2.69 0.00 0.00 6.58 7.04 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 9 G 8.89 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 0.00 0.00 0.00 0.00 10 P 0.00 4.30 0.00 1.89 1.78 0.00 3.79 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.44 0.00 11 N 9.55 4.44 0.00 2.88 2.98 0.00 0.00 6.93 6.44 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 12 L 7.51 4.03 0.00 1.85 1.72 1.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.98 4.45 0.00 2.78 3.09 0.00 0.00 6.07 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 14 M 8.18 4.29 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.62 0.00 15 L 7.63 4.09 0.00 1.71 1.76 0.91 1.33 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 16 G 8.79 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 17 K 7.84 4.31 0.00 1.84 1.81 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.59 1.51 7.81 *26 Q 7.82 4.12 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 27 T 8.28 4.75 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 1.17 0.00 0.00 28 L 8.10 3.78 0.00 1.89 1.61 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.78 4.10 0.00 3.82 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 30 D 7.73 4.18 0.00 2.85 2.59 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 31 I 7.22 3.51 1.64 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.07 0.00 0.00 32 E 7.86 3.67 0.00 1.44 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 0.00 0.00 0.00 2.01 2.23 0.00 33 Q 7.96 3.99 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 34 H 8.08 4.30 0.00 3.34 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.09 4.01 0.00 1.87 1.77 1.04 1.04 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 36 Q 8.17 4.02 0.00 2.42 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 37 Q 8.30 3.99 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 38 S 8.46 4.19 0.00 3.90 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 39 A 8.34 4.08 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 40 Q 8.64 4.29 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 41 A 7.84 4.25 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 42 Q 7.16 4.52 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.18 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 43 G 8.32 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 0.00 0.00 0.00 44 Y 8.08 4.59 0.00 3.09 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 45 E 8.79 4.83 0.00 1.98 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 2.26 2.24 0.00 46 L 8.42 5.28 0.00 1.69 1.59 1.04 1.37 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 47 D 9.15 5.18 0.00 2.65 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.63 5.55 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 49 F 9.14 5.06 0.00 3.16 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 50 Q 7.66 5.38 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 51 A 8.28 4.44 1.19 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 0.00 0.00 52 N 8.77 4.80 0.00 2.72 2.81 0.00 0.00 6.64 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 53 G 7.71 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.60 3.77 0.00 1.81 1.76 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 1.48 1.47 0.00 55 E 8.10 3.87 0.00 2.01 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 2.38 2.39 0.00 56 S 8.08 4.20 0.00 4.08 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 0.00 57 L 7.98 4.25 0.00 1.79 1.81 1.27 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.25 3.61 1.83 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.61 0.00 0.00 59 N 8.30 4.21 0.00 2.85 2.79 0.00 0.00 6.66 7.95 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 60 R 7.42 3.82 0.00 0.82 1.77 0.00 3.09 0.00 0.00 2.38 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.49 0.00 61 I 7.58 3.84 1.92 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 1.48 0.93 0.88 0.00 0.00 62 H 8.35 4.28 0.00 3.28 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.00 4.09 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 64 A 7.84 4.28 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 65 F 7.44 4.41 0.00 2.96 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 66 Q 8.68 3.43 0.00 1.87 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.32 1.16 0.00 67 N 8.13 4.96 0.00 2.78 2.83 0.00 0.00 6.71 7.73 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 68 T 7.83 4.68 4.40 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 1.32 0.00 0.00 69 D 8.86 4.85 0.00 2.80 2.84 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 70 F 7.96 4.84 0.00 3.12 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 71 I 8.56 5.24 1.97 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 1.31 0.95 1.03 0.00 0.00 72 I 8.99 5.20 2.07 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.92 1.08 0.00 0.00 73 I 9.11 5.14 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.94 1.00 0.00 0.00 74 N 9.07 5.37 0.00 2.79 3.03 0.00 0.00 7.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.55 0.00 2.43 2.20 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 76 G 8.62 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 77 A 8.42 4.12 1.24 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 78 F 7.67 4.94 0.00 3.27 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 79 T 8.21 3.96 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 80 H 8.27 4.98 0.00 3.35 3.60 0.00 5.56 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.99 4.67 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 1.36 0.00 0.00 82 S 8.49 4.57 0.00 3.61 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 83 V 7.68 3.33 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 0.87 0.00 0.00 -0.10 0.00 0.00 84 A 7.66 3.86 1.17 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 0.00 0.00 85 I 7.76 3.60 1.79 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 1.30 0.62 0.84 0.00 0.00 86 R 7.54 3.84 0.00 2.06 2.13 0.00 3.28 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 87 D 8.30 4.39 0.00 2.78 2.65 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 0.00 0.00 0.00 0.00 88 A 7.81 3.96 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 89 L 7.88 3.87 0.00 1.67 1.46 -0.12 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.08 4.34 0.00 1.85 1.73 0.96 0.85 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 91 A 7.97 3.93 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 92 V 7.44 3.80 2.30 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 0.79 0.00 0.00 1.06 0.00 0.00 93 S 7.66 3.76 0.00 4.06 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 94 I 7.09 4.47 1.91 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.91 0.91 0.00 0.00 95 P 0.00 4.48 0.00 1.53 2.02 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.89 0.00 96 F 7.94 5.28 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 9.03 4.96 2.29 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 1.18 1.80 1.23 0.00 0.00 98 E 8.97 5.07 0.00 2.32 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 2.22 2.30 0.00 99 V 8.61 4.87 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 0.23 0.00 0.00 0.78 0.00 0.00 100 H 8.77 4.87 0.00 3.05 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.97 4.10 0.00 1.66 1.77 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.93 4.66 0.00 3.97 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 0.00 103 N 8.32 4.59 0.00 2.75 2.77 0.00 0.00 6.88 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 0.00 104 V 8.14 3.63 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 0.68 0.00 0.00 0.62 0.00 0.00 105 H 8.05 4.07 0.00 3.25 3.23 0.00 5.64 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 0.00 106 A 7.81 4.46 1.26 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 0.00 0.00 107 R 7.09 4.70 0.00 1.60 1.75 0.00 3.14 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 108 E 8.14 3.89 0.00 1.16 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 2.34 2.25 0.00 109 P 0.00 3.52 0.00 2.10 2.01 0.00 3.46 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 2.06 1.99 0.00 110 F 7.63 4.30 0.00 3.02 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 0.00 111 R 7.02 3.76 0.00 1.64 1.79 0.00 2.91 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 1.44 0.60 0.00 112 H 7.98 4.48 0.00 3.21 3.34 0.00 5.61 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 0.00 113 H 8.04 4.88 0.00 3.09 3.07 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.91 4.88 0.00 3.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.93 4.60 0.00 3.09 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 0.00 116 L 7.78 4.85 0.00 1.99 2.04 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.42 4.24 0.00 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.15 4.50 0.00 2.81 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 0.00 119 V 7.71 4.19 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 0.78 0.00 0.00 1.27 0.00 0.00 120 A 7.20 2.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.39 4.09 0.00 1.78 2.14 0.00 1.81 0.00 0.00 1.81 0.00 0.00 3.52 0.00 0.00 3.10 0.00 0.00 0.00 0.00 2.00 1.82 7.81 122 G 7.49 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 0.00 123 V 8.04 5.15 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 0.88 0.00 0.00 0.98 0.00 0.00 124 I 8.77 4.77 1.83 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 1.25 0.78 0.96 0.00 0.00 125 C 8.72 5.15 0.00 2.92 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 0.00 126 G 9.27 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 0.00 127 L 7.74 4.53 0.00 1.73 1.81 1.08 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.22 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 0.00 129 A 8.62 4.23 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 0.00 130 K 7.56 4.29 0.00 1.86 1.39 0.00 1.95 0.00 0.00 1.82 0.00 0.00 2.69 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.34 7.81 131 G 8.02 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 Y 8.00 4.08 0.00 3.16 2.98 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 0.00 133 D 7.83 4.31 0.00 2.35 2.53 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 0.00 134 Y 7.79 4.90 0.00 3.14 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 0.00 135 A 8.24 4.11 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 0.00 136 L 8.07 3.89 0.00 1.83 1.87 0.86 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.09 4.33 0.00 3.05 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 0.00 138 F 8.42 4.10 0.00 3.07 3.21 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 0.00 139 A 7.75 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 7.14 3.08 1.71 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.22 0.57 0.00 0.00 141 S 7.80 4.11 0.00 3.86 3.81 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 0.00 142 E 7.90 3.82 0.00 1.59 1.90 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 1.47 1.89 0.00 143 L 7.57 3.97 0.00 1.81 1.87 1.05 1.07 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 0.00 144 Q 7.68 4.52 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.41 2.69 0.00 145 K 7.35 4.15 0.00 2.02 1.92 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.41 7.81 146 I 7.66 4.09 1.90 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 1.17 0.68 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.