NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.0866 8.2644 123.5824 51.8723 19.5961 176.1993 *6 N 4.4581 7.6231 118.7775 52.5751 40.7448 173.6326 7 E 4.0184 8.6526 126.9862 59.3686 29.9587 179.1275 8 R 3.8961 8.0212 118.5941 59.4899 30.1079 178.9984 9 T 3.8732 8.2447 115.3425 66.5994 68.4690 177.0558 10 V 3.5508 7.9517 119.9747 65.8730 31.5907 177.7612 11 A 4.0062 8.2884 120.7924 55.2627 18.1653 179.4094 12 E 3.8725 8.1877 116.8904 59.6708 29.5687 179.7107 13 L 3.9984 8.1758 119.1594 57.5704 41.6454 179.0851 14 E 3.9299 8.6234 119.7606 59.1463 29.5101 178.7807 15 K 3.9441 7.9393 119.3294 59.5138 32.2478 178.3591 16 L 3.9869 7.9672 119.2567 58.0991 41.5393 179.6245 17 L 4.0502 8.0842 118.5095 57.7949 41.5912 179.6079 18 R 3.9276 8.0972 118.5483 59.9072 30.1270 178.2505 19 Y 4.1012 8.7169 116.6343 60.5969 37.7899 178.3142 20 I 3.7693 8.4156 121.4045 64.4249 37.2823 178.2615 21 A 4.0085 8.4003 121.6750 55.0902 18.0237 179.5631 22 A 3.9273 8.1662 119.4214 55.1623 18.3366 179.4490 23 N 4.2612 8.0848 115.2854 56.6813 39.1050 176.9605 24 L 3.9318 8.1451 121.9142 57.8443 42.0822 178.9568 25 K 3.9034 8.0292 119.7060 59.4898 32.1373 178.6660 26 Q 3.9083 7.8152 119.8231 59.2082 29.0134 178.0224 27 R 3.9836 8.2018 119.4148 59.3969 30.1365 179.0744 28 G 3.5297 8.0480 105.1145 47.8349 0.0000 175.7758 29 R 3.8814 7.7932 119.4198 59.0142 30.3192 178.6749 30 E 4.1068 8.3084 118.2920 59.5589 29.3448 179.4975 31 I 3.7696 7.8144 119.7148 64.4114 37.2346 178.1271 32 L 4.4508 7.9826 118.6374 56.5650 41.3118 179.1196 33 T 4.0049 7.5228 109.5329 64.1000 68.5706 174.4895 34 N 4.5898 7.5054 117.5014 52.8990 38.9193 174.1748 35 Y 4.7852 7.7189 116.6248 55.6058 41.3527 173.9363 36 P 4.8878 0.0000 0.0000 63.0699 31.4827 175.7106 37 I 4.7366 7.5047 111.2036 59.9259 40.2588 175.0379 38 T 4.5598 8.3663 111.9204 59.5163 71.9916 173.9045 39 P 4.3283 0.0000 0.0000 65.6044 31.2704 177.3019 40 P 4.4550 0.0000 0.0000 65.2103 31.2359 178.8205 41 Q 3.9885 7.8085 117.1649 58.7034 28.5579 177.8342 42 F 4.0246 8.5229 122.1793 61.5753 39.3219 177.2948 43 V 3.4077 7.9520 117.0682 65.9028 31.4058 177.6610 44 A 4.1068 8.1811 120.3860 55.3470 18.1868 179.5612 45 L 3.8723 8.1937 117.7100 58.0466 41.7050 179.5451 46 Q 3.6481 7.8766 119.7167 58.8582 28.6860 178.5143 47 W 4.2321 7.9262 119.9541 59.7530 29.0955 178.5331 48 L 4.2770 7.9515 120.2025 56.9880 40.8035 179.2558 49 L 3.9049 7.9344 119.7161 58.4226 42.1886 178.6827 50 E 4.1576 8.1568 116.7217 58.2144 29.5955 177.9367 51 E 4.6032 8.7001 116.5745 56.7849 31.7901 177.0115 52 G 3.7971 8.4742 107.0327 44.0256 0.0000 171.6298 53 D 5.1863 8.4672 117.9959 54.5341 41.3153 176.4899 54 L 5.1246 8.3709 121.7866 52.8642 46.0328 176.3655 55 T 4.4257 8.9081 113.0454 61.2891 70.0433 175.8251 56 V 3.6227 8.4912 121.2314 65.8877 31.4955 178.1514 57 G 3.5838 7.9997 105.1040 47.9331 0.0000 175.3758 58 E 3.8531 8.1818 121.2412 58.7874 29.2113 179.2549 59 L 3.7357 7.8464 119.9687 58.0770 42.5036 178.8983 60 S 4.1666 8.2755 114.6108 61.4798 62.6836 176.2001 61 N 4.2081 7.7107 119.2404 55.6663 38.1849 177.2075 62 K 3.3680 6.8702 115.8207 56.7449 31.7819 176.9373 *64 Y 4.5484 7.7241 115.3266 58.0613 39.2388 174.9392 65 L 4.7476 7.6078 118.0670 52.5633 44.5241 177.3973 66 A 4.1983 8.2007 122.1493 52.1778 20.3835 178.5407 67 C 4.0013 8.6902 119.7920 62.9485 28.2481 176.8705 68 S 4.1100 8.0268 115.1187 61.9056 62.6985 176.4886 69 T 3.8521 7.8854 119.3116 66.6140 68.2166 176.6307 70 T 3.9763 7.9236 117.4055 66.6627 68.3632 177.1721 71 T 3.8826 7.9998 117.9431 66.6886 68.5266 176.4919 72 D 4.4059 8.0437 120.7907 57.1648 40.5754 178.7363 73 L 3.9302 7.5935 119.4252 58.1193 42.2625 178.7455 74 V 3.7329 7.6626 116.7607 66.1698 31.7704 177.0342 75 D 4.6346 8.4314 118.9364 57.6870 40.6945 179.9146 76 R 3.8868 7.7881 114.0084 57.3099 29.8609 177.9840 *78 E 4.7076 8.0132 121.1752 56.4001 31.3536 177.7056 79 R 3.8782 8.0372 117.5276 59.4759 28.7821 176.6750 80 N 4.6393 8.4615 113.4025 52.8250 38.4834 175.9052 81 G 3.9915 7.9291 105.7714 46.5675 0.0000 175.1903 82 L 4.3636 7.3759 120.5299 56.4966 43.0086 177.2235 83 V 5.0119 7.6863 109.7374 59.6768 36.6136 174.0694 84 A 5.0178 8.9760 123.4659 50.2525 22.6918 175.2567 85 R 4.8490 8.6094 118.3619 55.1499 31.8063 176.4246 86 V 4.4489 9.1394 123.6298 61.0102 34.4417 174.9091 87 R 4.7503 8.6636 124.6032 55.4056 30.6963 176.2877 88 D 4.5187 8.3170 120.6854 54.7339 41.4778 177.0662 89 E 4.1128 8.5927 121.7957 59.6314 29.8497 178.2832 90 H 4.2274 7.8919 114.7322 58.1007 29.4134 175.4476 *94 V 3.8586 7.5542 118.8129 62.6577 32.6198 174.3844 95 V 4.8352 8.4342 127.3463 61.1653 34.0140 174.6757 96 R 4.8739 8.9396 126.2993 54.4570 33.9000 174.7576 97 I 4.6206 9.0491 123.5350 60.3999 38.9875 174.8200 98 R 4.9107 8.9636 127.4548 53.8564 32.9283 174.1431 99 L 4.2226 8.6935 128.3401 55.7244 42.5231 176.6233 100 L 4.3212 8.5711 126.5921 54.0233 42.9725 177.8382 101 E 3.8667 8.9357 120.9808 59.5238 29.2601 179.0573 102 K 4.0276 8.0874 119.2159 59.3647 32.3642 178.9160 103 G 3.5919 7.9826 105.4792 47.7841 0.0000 175.0611 104 E 3.8992 8.3973 122.5866 58.7777 29.5061 178.6980 105 R 3.8767 8.1420 118.7438 59.5726 30.1009 178.3939 106 I 3.7140 7.4526 119.5919 64.5297 37.1030 178.5832 107 I 3.7516 7.6978 113.7506 64.0062 37.4957 177.9519 108 E 3.8954 8.2522 120.3766 59.1977 29.3312 178.9890 109 E 3.9393 7.8841 119.2851 59.0244 29.6598 179.0523 110 V 3.1027 7.5693 118.4211 65.8891 31.4989 178.0495 111 I 3.7146 7.9886 119.8279 64.4002 36.8222 178.0547 112 E 4.1678 8.0580 121.2726 58.6248 29.4131 178.8167 113 K 3.9569 8.0050 119.5330 59.4636 32.2544 179.0892 114 R 3.8821 8.0938 118.6026 59.1568 29.7287 179.0853 115 Q 3.9658 8.3412 118.0911 59.0156 28.8609 178.8884 116 R 3.9847 8.1942 119.3144 59.2751 30.1881 178.5167 117 D 4.3055 8.2371 117.8278 57.3349 41.1785 178.1734 118 L 3.8902 7.9996 120.4877 58.0894 41.8932 178.4896 119 A 3.9444 8.0126 119.8959 55.5049 18.3607 179.1147 120 N 4.4233 8.1089 114.5487 56.4468 38.4013 177.8402 121 V 3.7146 7.4512 118.2038 65.5510 31.9300 177.1693 122 L 3.9988 7.9197 116.8638 54.7134 41.5193 178.2530 123 E 4.1023 7.7552 116.5880 58.4617 29.7121 177.8874 124 S 4.5427 8.0132 112.1944 58.4626 63.9335 174.2951 125 F 4.3868 8.2598 121.4706 57.2446 39.4493 176.1127 126 S 4.4755 8.9021 120.0696 57.7026 64.9697 175.1166 127 D 4.4482 8.7220 122.5324 57.9937 40.5742 179.2866 128 E 3.9897 8.1795 118.7736 59.4209 29.6585 178.5327 129 E 4.1435 8.2089 118.1372 59.2613 29.3964 179.4456 130 I 3.9014 8.0356 120.2495 64.3711 37.1950 178.6283 131 V 3.6291 7.7396 119.0592 65.8463 31.3092 178.2852 132 V 3.6016 7.8752 117.9968 65.9412 31.4173 177.4700 133 F 4.2817 8.5961 120.6767 61.5632 39.1303 176.6448 134 E 3.6994 8.4739 118.7109 59.1837 29.4347 178.4475 135 R 3.8535 7.9771 118.6803 59.7914 30.0382 178.1183 136 C 4.0767 8.3482 116.4857 62.9207 28.1467 176.0882 137 L 3.8622 7.6743 120.4638 57.6733 41.1403 179.6297 138 R 3.8376 8.1286 118.7902 59.2765 29.9932 178.4721 139 K 3.9079 8.0108 119.4016 59.2916 31.9710 178.2723 140 L 3.8992 8.0134 119.7908 58.5906 42.0995 178.0478 141 H 4.2517 8.3201 116.9430 59.3930 29.8533 176.6168 142 Q 4.0969 7.9680 120.0939 58.9409 29.0444 178.5633 143 E 4.2621 8.0961 119.0783 56.4365 29.7692 177.5005 *145 T 4.1031 7.7248 106.2358 61.1125 70.4051 173.4769 146 K 4.1430 8.2938 128.3186 57.2979 32.7474 175.7517 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 4 A 8.26 4.09 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 *6 N 7.62 4.46 0.00 2.79 2.76 0.00 0.00 6.81 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 7 E 8.65 4.02 0.00 2.23 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 0.00 2.36 2.39 0.00 8 R 8.02 3.90 0.00 2.00 2.02 0.00 3.12 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 9 T 8.24 3.87 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 1.22 0.00 0.00 10 V 7.95 3.55 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 1.01 0.00 0.00 0.96 0.00 0.00 11 A 8.29 4.01 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 12 E 8.19 3.87 0.00 2.17 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 2.58 2.49 0.00 13 L 8.18 4.00 0.00 1.83 1.73 0.93 1.12 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 14 E 8.62 3.93 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 15 K 7.94 3.94 0.00 1.97 1.83 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.99 1.40 7.81 16 L 7.97 3.99 0.00 1.91 1.77 0.93 0.49 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 17 L 8.08 4.05 0.00 1.74 1.76 0.95 0.75 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 18 R 8.10 3.93 0.00 2.10 2.30 0.00 3.12 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 19 Y 8.72 4.10 0.00 3.00 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 20 I 8.42 3.77 2.15 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 0.99 0.00 0.00 21 A 8.40 4.01 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 22 A 8.17 3.93 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 23 N 8.08 4.26 0.00 2.86 2.99 0.00 0.00 6.81 7.34 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 24 L 8.15 3.93 0.00 2.03 1.76 0.93 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.03 3.90 0.00 1.94 1.98 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 26 Q 7.82 3.91 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 27 R 8.20 3.98 0.00 2.00 2.06 0.00 3.26 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 28 G 8.05 3.53 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 0.00 29 R 7.79 3.88 0.00 1.95 2.00 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.81 0.00 30 E 8.31 4.11 0.00 2.14 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 2.32 2.45 0.00 31 I 7.81 3.77 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.37 0.90 0.00 0.00 32 L 7.98 4.45 0.00 1.83 1.74 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.52 4.00 4.22 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 1.23 0.00 0.00 34 N 7.51 4.59 0.00 2.13 2.44 0.00 0.00 6.76 8.22 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 35 Y 7.72 4.79 0.00 3.04 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 36 P 0.00 4.89 0.00 2.22 2.16 0.00 3.90 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 2.06 2.00 0.00 37 I 7.50 4.74 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.84 0.97 0.00 0.00 38 T 8.37 4.56 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 1.25 0.00 0.00 39 P 0.00 4.33 0.00 2.23 2.19 0.00 3.63 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 2.14 2.20 0.00 40 P 0.00 4.46 0.00 2.21 2.16 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 41 Q 7.81 3.99 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 42 F 8.52 4.02 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 43 V 7.95 3.41 2.31 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 1.16 0.00 0.00 1.11 0.00 0.00 44 A 8.18 4.11 1.43 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 0.00 0.00 45 L 8.19 3.87 0.00 1.70 1.64 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 7.88 3.65 0.00 1.24 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 47 W 7.93 4.23 0.00 3.60 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 48 L 7.95 4.28 0.00 1.90 1.72 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.93 3.90 0.00 1.63 1.78 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.16 4.16 0.00 2.01 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 0.00 2.24 2.26 0.00 51 E 8.70 4.60 0.00 2.09 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 2.64 2.65 0.00 52 G 8.47 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 53 D 8.47 5.19 0.00 2.57 2.64 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 54 L 8.37 5.12 0.00 1.51 1.44 0.88 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.91 4.43 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 1.23 0.00 0.00 56 V 8.49 3.62 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 1.10 0.00 0.00 0.91 0.00 0.00 57 G 8.00 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 58 E 8.18 3.85 0.00 2.07 1.88 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 2.25 2.25 0.00 59 L 7.85 3.74 0.00 1.62 1.76 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.28 4.17 0.00 4.21 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 61 N 7.71 4.21 0.00 2.66 2.69 0.00 0.00 7.07 7.63 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 62 K 6.87 3.37 0.00 0.93 0.74 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.72 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.47 0.94 7.81 *64 Y 7.72 4.55 0.00 3.07 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 65 L 7.61 4.75 0.00 1.63 1.58 0.95 0.68 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 66 A 8.20 4.20 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 67 C 8.69 4.00 0.00 2.96 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 68 S 8.03 4.11 0.00 4.04 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 69 T 7.89 3.85 4.38 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 1.23 0.00 0.00 70 T 7.92 3.98 4.22 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 1.19 0.00 0.00 71 T 8.00 3.88 4.38 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 1.21 0.00 0.00 72 D 8.04 4.41 0.00 2.86 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 73 L 7.59 3.93 0.00 1.77 1.90 0.95 0.86 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 74 V 7.66 3.73 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 0.89 0.00 0.00 1.00 0.00 0.00 75 D 8.43 4.63 0.00 2.87 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 76 R 7.79 3.89 0.00 2.00 1.96 0.00 3.33 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 *78 E 8.01 4.71 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 79 R 8.04 3.88 0.00 2.11 2.03 0.00 3.31 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 80 N 8.46 4.64 0.00 2.83 2.82 0.00 0.00 6.95 8.59 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 81 G 7.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.38 4.36 0.00 1.61 1.73 0.95 0.85 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 83 V 7.69 5.01 2.16 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 0.92 0.00 0.00 0.96 0.00 0.00 84 A 8.98 5.02 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 85 R 8.61 4.85 0.00 1.70 1.86 0.00 3.30 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 86 V 9.14 4.45 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 1.04 0.00 0.00 0.93 0.00 0.00 87 R 8.66 4.75 0.00 1.93 1.90 0.00 3.09 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 88 D 8.32 4.52 0.00 2.72 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.59 4.11 0.00 1.72 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 2.26 2.26 0.00 90 H 7.89 4.23 0.00 3.12 3.34 0.00 5.93 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 *94 V 7.55 3.86 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 0.98 0.00 0.00 0.92 0.00 0.00 95 V 8.43 4.84 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 0.87 0.00 0.00 0.92 0.00 0.00 96 R 8.94 4.87 0.00 1.73 1.77 0.00 3.16 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 97 I 9.05 4.62 1.87 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 1.25 1.02 0.91 0.00 0.00 98 R 8.96 4.91 0.00 1.89 1.73 0.00 3.10 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 99 L 8.69 4.22 0.00 1.67 1.59 0.93 1.01 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 0.00 100 L 8.57 4.32 0.00 1.82 1.57 0.95 0.65 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 0.00 101 E 8.94 3.87 0.00 2.03 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 0.00 2.39 2.38 0.00 102 K 8.09 4.03 0.00 1.87 1.98 0.00 1.79 0.00 0.00 2.08 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.53 7.81 103 G 7.98 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 0.00 104 E 8.40 3.90 0.00 2.02 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 2.29 2.30 0.00 105 R 8.14 3.88 0.00 2.14 1.94 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 106 I 7.45 3.71 2.04 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 1.70 0.47 0.94 0.00 0.00 107 I 7.70 3.75 1.79 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 1.71 0.79 0.85 0.00 0.00 108 E 8.25 3.90 0.00 2.24 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 2.30 2.55 0.00 109 E 7.88 3.94 0.00 2.15 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 2.46 2.38 0.00 110 V 7.57 3.10 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 0.54 0.00 0.00 0.13 0.00 0.00 111 I 7.99 3.71 1.97 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 1.52 0.71 0.90 0.00 0.00 112 E 8.06 4.17 0.00 2.12 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 0.00 2.31 2.17 0.00 113 K 8.00 3.96 0.00 2.00 1.95 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.55 7.81 114 R 8.09 3.88 0.00 2.06 1.92 0.00 2.73 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 115 Q 8.34 3.97 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 116 R 8.19 3.98 0.00 1.96 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 117 D 8.24 4.31 0.00 2.87 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 0.00 118 L 8.00 3.89 0.00 1.87 1.77 0.89 0.80 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 0.00 119 A 8.01 3.94 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 0.00 120 N 8.11 4.42 0.00 2.96 2.87 0.00 0.00 6.62 7.33 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 0.00 121 V 7.45 3.71 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 0.81 0.00 0.00 0.95 0.00 0.00 122 L 7.92 4.00 0.00 1.56 1.36 0.78 -0.46 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 0.00 123 E 7.76 4.10 0.00 2.13 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 0.00 2.33 2.26 0.00 124 S 8.01 4.54 0.00 4.00 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 0.00 125 F 8.26 4.39 0.00 3.02 3.02 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 0.00 126 S 8.90 4.48 0.00 4.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.72 4.45 0.00 2.73 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 0.00 128 E 8.18 3.99 0.00 2.10 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 0.00 2.40 2.49 0.00 129 E 8.21 4.14 0.00 2.18 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 2.30 2.34 0.00 130 I 8.04 3.90 2.07 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.60 0.97 0.00 0.00 131 V 7.74 3.63 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 1.06 0.00 0.00 0.97 0.00 0.00 132 V 7.88 3.60 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 1.10 0.00 0.00 1.07 0.00 0.00 133 F 8.60 4.28 0.00 3.47 3.42 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 0.00 134 E 8.47 3.70 0.00 2.17 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 2.27 2.28 0.00 135 R 7.98 3.85 0.00 2.16 2.01 0.00 3.17 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 1.63 1.69 0.00 136 C 8.35 4.08 0.00 3.07 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 0.00 137 L 7.67 3.86 0.00 1.54 1.52 0.23 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.13 3.84 0.00 2.06 2.00 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 139 K 8.01 3.91 0.00 1.99 1.88 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 140 L 8.01 3.90 0.00 1.65 1.81 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.32 4.25 0.00 3.17 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Q 7.97 4.10 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.44 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 143 E 8.10 4.26 0.00 1.97 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 2.55 2.45 0.00 *145 T 7.72 4.10 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 1.19 0.00 0.00 146 K 8.29 4.14 0.00 1.81 2.15 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.